Information processing method, information processing device, and program

Abstract

In this information processing method, information relating to a plurality of compounds, the information being material information (1) indicating, for each of the plurality of compounds, content relating to two or more elements constituting each compound and the composition ratio of the two or more elements, is acquired (step S10), an attribute of a group to which the plurality of compounds belong is discriminated on the basis of the material information (1) (step S11), a display method for the material information (1) is determined in accordance with the discriminated attribute (step S12), and the material information (1) is outputted in accordance with the determined display method (step S14).

Description

Information processing method, information processing device, and program

[0001] TECHNICAL FIELD The present disclosure relates to techniques for displaying information about materials, such as chemical compounds.

[0002] Conventionally, in the development of compound materials, in order to search for a composition formula or process conditions of a compound having desired properties, experiments have been conducted by changing the blending ratio of raw materials, etc., to identify a composition formula or process conditions having good properties. Here, Patent Documents 1 to 3 disclose information processing methods for displaying the composition formula, etc. of a compound when they are given.

[0003] Patent Document 1 discloses a method for cluster-classifying a plurality of compounds based on their characteristic information and displaying the plurality of compounds. Patent Document 2 discloses a method for displaying a nonlinear map using the similarity of a plurality of compounds. Patent Document 3 discloses a method for switching a display method for displaying the characteristics of an arbitrary chemical substance based on user input, physical properties, etc.

[0004] JP 2006-318048 Publication Special Table No. 2001-503546 JP 10-240748 Publication

[0005] However, it is difficult for the methods disclosed in the above patent documents to adequately support material development.

[0006] The present disclosure is intended to solve the above-mentioned problems and provides an information processing method and the like that can appropriately support material development.

[0007] In order to solve the above problem, in an information processing method according to one embodiment of the present disclosure, a computer acquires material information, which is information about a plurality of compounds and indicates, for each of the plurality of compounds, details about two or more elements that constitute the compound and the composition ratio of the two or more elements in the compound, determines attributes of a group to which the plurality of compounds belong based on the material information, determines a display method for the material information in accordance with the determined attributes, and executes an output process to output the material information in accordance with the determined display method.

[0008] These comprehensive or specific aspects may be realized as a system, an integrated circuit, or a computer-readable recording medium such as a CD-ROM, or may be realized as any combination of an apparatus, a system, a method, an integrated circuit, a computer program, and a recording medium. The recording medium may also be a non-transitory recording medium.

[0009] According to the present disclosure, material development can be appropriately supported.

[0010] Further advantages and benefits of certain aspects of the present disclosure will become apparent from the specification and drawings. Such advantages and / or benefits may be provided by some of the embodiments and features described in the specification and drawings, respectively, but not necessarily all of them may be provided to obtain one or more identical features.

[0011] FIG. 1 is a diagram illustrating an example of the configuration of a processing system according to the first embodiment. FIG. 2A is a diagram illustrating an example of the configuration of an information processing system according to the first embodiment. FIG. 2B is a diagram illustrating an example of the configuration of a terminal system according to the first embodiment. FIG. 3A is a diagram illustrating an example of a composition list according to the first embodiment. FIG. 3B is a diagram illustrating another example of the composition list according to the first embodiment. FIG. 3C is a diagram illustrating yet another example of the composition list according to the first embodiment. FIG. 3D is a diagram illustrating yet another example of the composition list according to the first embodiment. FIG. 4A is a diagram illustrating an example of the results of principal component analysis according to the first embodiment. FIG. 4B is a diagram illustrating another example of the results of principal component analysis according to the first embodiment. FIG. 4C is a diagram illustrating yet another example of the results of principal component analysis according to the first embodiment. FIG. 5 is a diagram illustrating a method of determining abscissa and ordinate variables used for the abscissa and ordinate axes of a graph in the first display method according to the first embodiment. FIG. 6A is a diagram illustrating part of a method of determining additional elements according to the first embodiment. FIG. 6B is a diagram illustrating another part of the method of determining additional elements according to the first embodiment. FIG. 7A is a diagram illustrating an example of a processed image generated for a composition list of a first attribute according to the first embodiment. FIG. 7B is a diagram showing another example of a processed image generated for a composition list of a first attribute in embodiment 1. FIG. 8A is a diagram showing yet another example of a processed image generated for a composition list of a first attribute in embodiment 1. FIG. 8B is a diagram showing yet another example of a processed image generated for a composition list of a first attribute in embodiment 1. FIG. 9 is a diagram showing an example of a processed image generated for a composition list of a second attribute in embodiment 1. FIG. 10A is a diagram showing an example of a processed image generated for a composition list of a third attribute in embodiment 1. FIG. 10B is a diagram showing an enlarged view of a portion of a processed image generated for a composition list of a third attribute in embodiment 1. FIG. 10C is a diagram showing an enlarged view of another portion of a processed image generated for a composition list of a third attribute in embodiment 1. FIG. 10D is a diagram showing an enlarged view of another portion of a processed image generated for a composition list of a third attribute in embodiment 1.FIG. 11 is a diagram for explaining the effect of the information processing device according to Embodiment 1. FIG. 12 is a flowchart showing an example of processing operations of the information processing device according to Embodiment 1. FIG. 13A is a flowchart showing an example of processing operations of the attribute discrimination unit according to Embodiment 1. FIG. 13B is a flowchart showing an example of processing operations of the display method determination unit according to Embodiment 1. FIG. 14 is a diagram showing an example of a configuration of an information processing system according to Embodiment 2. FIG. 15A is a diagram showing an example of variable information according to Embodiment 2. FIG. 15B is a diagram showing an example of a processed image according to Embodiment 2. FIG. 16A is a diagram showing another example of variable information according to Embodiment 2. FIG. 16B is a diagram showing another example of a processed image according to Embodiment 2. FIG. 16C is a diagram showing yet another example of variable information according to Embodiment 2. FIG. 16D is a diagram showing yet another example of a processed image according to Embodiment 2. FIG. 17A is a diagram showing yet another example of variable information according to Embodiment 2. FIG. 17B is a diagram showing yet another example of a processed image according to Embodiment 2. FIG. 18A is a diagram showing yet another example of variable information according to Embodiment 2. FIG. 18B is a diagram showing yet another example of a processed image according to Embodiment 2. FIG. 19 is a flowchart illustrating an example of the processing operation of the information processing device according to the second embodiment.

[0012] (Knowledge that led to the present disclosure) In recent years, in fields such as image recognition and natural language processing, recognition and identification methods using machine learning and the like have made significant progress, and are beginning to be applied to predicting material properties. As a result, the amount of data handled has become enormous, and there is a demand for methods for appropriately displaying and understanding large amounts of accumulated data.

[0013] For example, when a small amount of data can be obtained by varying the types of elements and the mixing ratios of those elements, the user can observe the data and appropriately select a data display method based on the mixing ratios. On the other hand, when past experimental data is accumulated to secure a large amount of data, data from different experimenters and data with different experimental intentions are mixed together. Therefore, in such cases, it becomes difficult for the user to appropriately select a display method for the data. Furthermore, it is not obvious how to display the entire data.

[0014] While there are methods for displaying big data, they do not take into account the attributes of data based on elements and their composition ratios, which are important in materials development. Examples of data attributes include the attributes of a group to which a compound obtained by changing the mixing ratio of multiple elements belongs, or the attributes of a group to which a compound obtained by adding a trace amount of an element to a compound with a certain composition belongs. In other words, conventional information processing methods are unable to distinguish between data attributes and determine the display method based on the results of that distinction.

[0015] For example, Patent Document 1 discloses a method for clustering a plurality of compounds based on their respective characteristic values ​​and displaying a recursive nested structure on a two-dimensional plane. However, this method makes it difficult to grasp how the elements contained in the plurality of compounds and their elemental composition ratios differ from one another. Furthermore, it does not disclose a method for identifying data attributes and selecting an appropriate display method based on the results of the identification.

[0016] Furthermore, Patent Document 2 discloses a method for performing nonlinear mapping based on the similarity of organic molecules and displaying the results of the nonlinear mapping on a two-dimensional plane. However, it does not disclose a display method based on elements and their elemental composition ratios, nor does it disclose a method for distinguishing data attributes and selecting an appropriate display method depending on the distinguishing results.

[0017] Furthermore, Patent Document 3 discloses a method for switching the display method of chemical substances based on user input and physical properties, but does not disclose a display method based on elements and their component ratios.

[0018] As described above, the information processing methods used in the above patent documents do not select an appropriate display method based on the elements and their composition ratios. Furthermore, these patent documents do not disclose a method for identifying the attributes of data and selecting an appropriate display method. As a result, support for materials development is insufficient.

[0019] In view of this situation, the inventors have discovered an information processing method that identifies the attributes of data that is material information and automatically determines a display method according to the attributes.

[0020] In accordance with an information processing method according to one aspect of the present disclosure, a computer acquires material information relating to a plurality of compounds, the material information indicating, for each of the plurality of compounds, details regarding two or more elements constituting the compound and the composition ratio of the two or more elements in the compound, determines attributes of a group to which the plurality of compounds belong based on the material information, determines a display method for the material information in accordance with the determined attributes, and executes an output process to output the material information in accordance with the determined display method.

[0021] As a result, the attributes of the group to which the multiple compounds belong are determined based on the two or more elements in each of the multiple compounds and the composition ratio of the two or more elements, and material information is output according to a display method corresponding to the attributes. Therefore, the two or more elements in each of the multiple compounds and the composition ratio of the two or more elements can be output and displayed in an appropriate manner for the multiple compounds. As a result, appropriate material information can be automatically displayed, thereby improving the efficiency of material exploration to find new materials from the multiple compounds. In other words, material development can be appropriately supported. For example, by analyzing the two or more elements in each of the multiple compounds and the composition ratio of the two or more elements shown in the material information, the attributes of the multiple compounds can be determined and the material information can be displayed in a manner appropriate for the attributes. Here, for example, the attributes of the multiple compounds can be determined based on the degrees of freedom possessed by the entire multiple compounds when the composition ratio of the two or more elements is regarded as a vector. More specifically, principal component analysis can be performed on the vector of the composition ratio of the two or more elements, and the number of principal components with a cumulative contribution rate exceeding 99% can be used as the degrees of freedom. Note that the material information may be information on multiple compounds used in experiments for material exploration, but is not limited to such information. It may also be information on unexperimented compounds or information on compounds used outside of experiments. For example, the material information may be information about a compound used in a numerical calculation, or may be information about a compound obtained by machine learning.

[0022] In addition, in executing the output process, the output process may be performed by generating, for each of the plurality of compounds, an image showing coordinates derived in accordance with the display method from at least one of the two or more elements constituting the compound and the composition ratio of the two or more elements in the compound, and outputting the image.

[0023] As a result, the coordinates of each of the multiple compounds are derived from at least one of the two or more elements constituting the compound and the composition ratio of the two or more elements, and an image showing the coordinates of each of the multiple compounds is displayed. For example, the coordinates are displayed as coordinate points on a graph included in the image. Furthermore, the coordinates are derived according to a determined display method. Therefore, the distribution of the coordinate points of each of the multiple compounds can be displayed in an appropriate manner according to the attributes of the group to which the multiple compounds belong. As a result, for example, a searcher performing a material search can automatically obtain display results according to the attributes of the multiple compounds. In other words, even if there are two or more groups of multiple compounds and the attributes of the groups are different from each other, the searcher can automatically obtain display results according to the group for each of the two or more groups. Furthermore, the distribution of the multiple compounds can be easily grasped from a bird's-eye view, thereby improving the efficiency of material search.

[0024] Furthermore, the attribute may be determined based on the degree of freedom for the composition of the plurality of compounds identified from the material information.

[0025] In this way, the attributes of the group to which the plurality of compounds belong are determined based on the distribution of the compounds in a space for expressing the compositions of the compounds, and material information is output according to a display method corresponding to the distribution. Therefore, the two or more elements and the composition ratios of the two or more elements in each of the plurality of compounds can be displayed in an easy-to-understand manner from the perspective of the distribution of the plurality of compounds, thereby improving the efficiency of material search for new materials from among a plurality of compounds.

[0026] In addition, in determining the attribute, if the degree of freedom is equal to or less than a first threshold, a first attribute is determined as the attribute, if the degree of freedom is greater than the first threshold and equal to or less than a second threshold, a second attribute is determined as the attribute, and if the degree of freedom is greater than the second threshold, a third attribute is determined as the attribute, and the second threshold may be a value greater than the first threshold.

[0027] As a result, the attribute of the group is classified into the first attribute, the second attribute, or the third attribute depending on the degree of freedom, and it is possible to determine an appropriate display method from the three types of display methods according to the distribution of multiple compounds.

[0028] In addition, when determining the display method, for each of the independent variables, the number of which corresponds to the degrees of freedom, a coordinate axis indicating the independent variable may be determined as the coordinate axis of the image, and when executing the output process, an image having the determined coordinate axes may be generated and output.

[0029] As a result, if the degree of freedom is four, for example, the coordinate axes representing the four independent variables are determined as the coordinate axes of the image showing the coordinates of each of the multiple compounds. Therefore, two or more elements in each of the multiple compounds and the composition ratios of the two or more elements can be displayed in an easy-to-understand manner using coordinate axes the number of which corresponds to the degree of freedom.

[0030] Furthermore, in the information processing method, the number of principal components having a cumulative contribution rate of more than 99% may be derived as the degree of freedom by principal component analysis of the plurality of compounds.

[0031] This allows the degrees of freedom to be derived appropriately.

[0032] In addition, in determining the attribute, the second attribute may be determined as the attribute if the degree of freedom is greater than the first threshold value and equal to or less than the second threshold value, and the contribution rate of a first principal component obtained by principal component analysis of the plurality of compounds is 1.5 times or more the contribution rate of a second principal component.

[0033] As a result, when the contribution rate of the first principal component is 1.5 times or more the contribution rate of the second principal component, the attribute of the group is determined to be the second attribute, and therefore the attribute of a group to which a plurality of compounds each containing a dopant belongs can be determined to be the second attribute. Therefore, it is possible to display material information in an easy-to-understand manner according to a display method suitable for compounds containing dopants. In other words, it is possible to display the composition coefficient of the element corresponding to the dopant in an easy-to-understand manner.

[0034] In addition, in determining the attribute, if each of the plurality of compounds is a solid solution, a first attribute may be determined as the attribute; if each of the plurality of compounds contains a dopant, a second attribute may be determined as the attribute; and if each of the plurality of compounds is not a solid solution and does not contain a dopant, a third attribute may be determined as the attribute. Note that a solid solution is, for example, a compound in which two or more elements are dissolved together to form a uniform solid phase. In addition, in the present disclosure, a compound filled with the element Li is also treated as a solid solution.

[0035] As a result, if the multiple compounds are a solid solution, the material information can be displayed in an easy-to-understand manner according to a display method suitable for the solid solution. That is, the magnitude relationship or composition ratio of each of the two or more elements contained in the solid solution can be displayed in an easy-to-understand manner. Furthermore, if the multiple compounds contain a dopant, the material information can be displayed in an easy-to-understand manner according to a display method suitable for compounds containing a dopant. That is, the composition coefficient of the element corresponding to the dopant can be displayed in an easy-to-understand manner. Furthermore, if the multiple compounds are neither a solid solution nor contain a dopant, the material information can be displayed in an easy-to-understand manner according to a display method such as an error notification method.

[0036] Furthermore, the attribute determination may involve identifying one or more types of feature quantities for the plurality of compounds based on variations in composition ratios of the two or more elements contained in each of the plurality of compounds, determining a first attribute as the attribute when the one or more feature quantities satisfy a first condition, determining a second attribute as the attribute when the one or more feature quantities satisfy a second condition, and determining a third attribute as the attribute when the one or more feature quantities satisfy a third condition.

[0037] As a result, the attribute of a group to which a plurality of compounds belong is classified into a first attribute, a second attribute, or a third attribute based on the variation in the composition ratio of two or more elements. Therefore, the distribution of the coordinate points of each of the plurality of compounds can be displayed using an appropriate display method according to the tendency of the variation. In other words, when a plurality of compounds are used in a material search, the material search policy can be read from the material information, and the distribution of the coordinate points of each of the plurality of compounds can be displayed using a display method appropriate for that policy. As a result, the efficiency of material search can be improved.

[0038] Furthermore, the acquiring of the material information may involve acquiring, for each of the plurality of compounds, the material information indicating a normalized composition ratio of the two or more elements; the determining of the attribute may involve performing a principal component analysis on the plurality of compounds using the normalized composition ratio of the two or more elements, and determining the first attribute, the second attribute, or the third attribute as the attribute based on a result of the principal component analysis; and the determining of the display method may involve, if the first attribute or the second attribute is determined as the attribute, determining coordinate axes indicating variables obtained from a result of the principal component analysis as coordinate axes of the image, thereby determining the display method of the material information.

[0039] As a result, the attributes of a group to which a plurality of compounds belong are classified into a first attribute, a second attribute, or a third attribute based on the results of principal component analysis of the plurality of compounds. As a result, the attributes can be appropriately classified. Furthermore, for example, if characteristic principal component analysis results are obtained for the first attribute or the second attribute, the coordinates of each of the plurality of compounds are defined by coordinate axes indicating variables obtained from the results of the characteristic principal component analysis. Therefore, for each of the first attribute and the second attribute, the distribution of each coordinate point of the plurality of compounds can be displayed using appropriate coordinate axes according to the results of the principal component analysis. Therefore, when a plurality of compounds are used in material discovery, the material discovery policy can be read from the material information, and the distribution of each coordinate point of the plurality of compounds can be displayed using a display method appropriate for that policy. As a result, the efficiency of material discovery can be improved.

[0040] Furthermore, when the first attribute is determined as the attribute in the attribute determination, the display method determination may involve discretizing each of one or more coefficients used in the n-th principal component (n is an integer greater than or equal to 1) obtained by the principal component analysis, and determining, as the coordinate axes of the image, coordinate axes indicating variables expressed based on the one or more discretized coefficients.

[0041] As a result, when the attribute of a group to which multiple compounds belong is the first attribute, for example, each of the one or more non-zero coefficients used in the nth principal component is discretized to -1 or 1. The variables used in the coordinate axes of the image represent, for example, the sum of the composition coefficients of two or more elements, each multiplied by -1 or 1. Therefore, in this case, the magnitude relationship and composition ratio of the composition coefficients of two or more elements contained in the compound can be easily determined from the coordinate points of the compound plotted along the coordinate axes. As a result, the efficiency of material search can be improved.

[0042] Furthermore, in the execution of the output process, a convex hull for each of the coordinates of the plurality of compounds may be calculated, composition information indicating the composition of the compound corresponding to the vertex of the calculated convex hull may be superimposed on the image, and the image on which the composition information is superimposed may be output. The composition information may be, for example, a composition formula.

[0043] This allows the distribution of coordinate points for each of the multiple compounds shown in the image and the compositions of those compounds to be easily understood from the image. In other words, if composition information were superimposed on each of all the compounds, multiple pieces of composition information might overlap or coordinate points might be hidden by the composition information. In such cases, it would be difficult to understand the distribution of coordinate points and the compositions of the compounds. However, in one aspect of the present disclosure, composition information for compounds corresponding to the vertices of the convex hull is superimposed, and composition information for other compounds is not superimposed, thereby preventing overlapping of multiple pieces of composition information and the obscuring of coordinate points by composition information. As a result, the distribution of coordinate points and the composition of each compound can be easily understood.

[0044] Furthermore, if the second attribute is determined as the attribute in the attribute determination, the display method determination may include classifying the elements contained in the compounds into one or more first elements and one or more second elements based on one or more coefficients used in a first principal component obtained by the principal component analysis, identifying at least one element from the one or more second elements as an additive element, and determining, for each of the at least one additive element, coordinate axes indicating a composition coefficient of the additive element as a variable as the coordinate axes of the image, wherein, in the first principal component, the absolute value of each coefficient of the one or more second elements is smaller than the absolute value of each coefficient of the one or more first elements, and the variance of each composition coefficient of the at least one additive element is greater than 0. For example, the first element may also be referred to as a major element or a first major element. The second element is an element other than the first element among the multiple elements.

[0045] As a result, when the second attribute is determined for a plurality of compounds each containing an additive element such as a dopant, the coordinate points of each of the plurality of compounds are plotted on a graph having coordinate axes indicating the composition coefficient of the additive element. Therefore, the existence of a plurality of compounds whose composition coefficients of the additive element differ slightly from each other can be easily grasped from an image or graph having such coordinate axes. As a result, the efficiency of material search can be improved.

[0046] In an information processing method according to one aspect of the present disclosure, a computer acquires variable information regarding k variables (k is an integer between 3 and 6) used to represent the structure of a compound, and based on the variable information, arranges a plurality of maps indicating information about each of a plurality of compounds having structures represented by the k variables, thereby generating an image including a sequence map consisting of the arrangement of the plurality of maps, and outputs the image, wherein each of the plurality of maps is represented by a first coordinate axis indicating a first variable included in the k variables and a second coordinate axis indicating a second variable included in the k variables, and the plurality of maps included in the sequence map are arranged according to a third variable other than the first variable and the second variable among the k variables. Note that each of the k variables can also be said to be a variable that determines the structure of the compound, and the structure represented by the k variables can also be said to be a structure determined by the k variables.

[0047] As a result, in the multiple maps, information on compounds having a structure represented by the first variable, the second variable, and the third variable is mapped at positions corresponding to these three variables. The information on the compounds is, for example, the characteristic values ​​of the compounds. Therefore, the characteristic values ​​of multiple compounds having a structure represented by the three variables can be easily ascertained from these multiple maps. As a result, the efficiency of material search can be improved, and material development can be appropriately supported.

[0048] In addition, in generating the image, an image including the array map may be generated by arranging the multiple maps along a third coordinate axis indicating the third variable, and the third coordinate axis may be parallel to the first coordinate axis or the second coordinate axis.

[0049] In this way, a plurality of maps classified according to the third variable are displayed arranged along the direction of the first coordinate axis or the second coordinate axis, making it possible to easily find a map corresponding to the third variable and, further, to easily grasp information about a compound having a structure represented by the first, second, and third variables from that map.

[0050] Furthermore, each of the first variable, the second variable, and the third variable may be a variable used to express a composition coefficient of an element contained in the compound, and the number of the plurality of maps arranged along the third coordinate axis in generating the image may be the number of values ​​that the third variable can take.

[0051] Since the first variable, the second variable, and the third variable are each a variable used to express the composition coefficient of an element contained in a compound, it is possible to easily grasp, from a plurality of maps, information on a plurality of compounds having composition coefficients expressed by the three variables. Note that the number of composition coefficients expressed by the three variables may be one or two or more.

[0052] In addition, in generating the image, an image including the array map is generated by arranging the multiple maps along a third coordinate axis indicating the third variable and a fourth coordinate axis indicating a fourth variable, wherein the fourth variable is a variable other than the first variable, the second variable, and the third variable among the k variables, and the third coordinate axis may be parallel to the first coordinate axis, and the fourth coordinate axis may be parallel to the second coordinate axis or perpendicular to the third coordinate axis.

[0053] As a result, a plurality of maps classified according to the third and fourth variables are displayed arranged, for example, in a matrix along the directions of the first and second coordinate axes, making it possible to easily find maps corresponding to the third and fourth variables, and further to easily grasp information about compounds having structures expressed by the first to fourth variables from the maps.

[0054] Furthermore, each of the first variable, the second variable, the third variable, and the fourth variable may be a variable used to express a composition coefficient of an element contained in the compound, and the number of maps arranged along the third coordinate axis in generating the image may be the number of values ​​that the third variable can take, and the number of maps arranged along the fourth coordinate axis in generating the image may be the number of values ​​that the fourth variable can take.

[0055] Since each of the first to fourth variables is a variable used to express the composition coefficient of an element contained in a compound, it is possible to easily grasp, from multiple maps, the characteristic values ​​of multiple compounds having composition coefficients expressed by the four variables. Note that the number of composition coefficients expressed by the four variables may be one or two or more.

[0056] Furthermore, the composition formula of each of the plurality of compounds may be expressed by ApDqEr, where A in the composition formula represents at least one element, D in the composition formula is the third variable representing an element, E in the composition formula is the fourth variable representing an element, p in the composition formula is a composition coefficient of at least one element represented by A, q in the composition formula is a first variable representing a composition coefficient of the element represented by D, and r in the composition formula is a second variable representing a composition coefficient of the element represented by E, the number of maps arranged along the third coordinate axis in generating the image may be the number of elements that the third variable can take, and the number of maps arranged along the fourth coordinate axis in generating the image may be the number of elements that the fourth variable can take.

[0057] As a result, the first and second variables are variables used to express the composition coefficients of the elements contained in the compound, and the third and fourth variables are variables used to express the elements contained in the compound. Therefore, maps corresponding to the number of possible combinations of elements for the third and fourth variables can be arranged, for example, in a matrix. It is then possible to easily find maps corresponding to the combinations of elements expressed by the third and fourth variables. Furthermore, from the maps, it is possible to easily grasp information about compounds having a composition expressed by the first to fourth variables.

[0058] Furthermore, in generating the image, for each compound group identified by a fifth variable, the sequence map is generated for the plurality of compounds included in the compound group, and the plurality of sequence maps are arranged along a fifth coordinate axis indicating the fifth variable, thereby generating an image including a multi-sequence map consisting of the plurality of sequence maps, wherein the fifth variable is a variable other than the first variable, the second variable, the third variable, and the fourth variable among the k variables, and the fifth coordinate axis may be parallel to one of the third coordinate axis and the fourth coordinate axis.

[0059] In this way, a plurality of sequence maps classified according to the fifth variable are arranged and displayed along the direction of the first or second coordinate axis, i.e., along the direction of the third or fourth coordinate axis, so that the sequence map corresponding to the fifth variable can be easily found, and furthermore, information on the compound having the structure represented by the first to fifth variables can be easily understood from the sequence map.

[0060] Furthermore, the fifth variable may indicate an element contained in the compound, and the number of array maps arranged along the fifth coordinate axis in generating the image may be the number of elements that the fifth variable can take.

[0061] As a result, since the fifth variable is a variable used to represent an element contained in a compound, it is possible to easily find, from among a plurality of sequence maps, sequence maps corresponding to a plurality of compounds each having an element represented by the fifth variable. Furthermore, from the sequence map, it is possible to easily grasp information about a compound having a structure represented by the first to fifth variables.

[0062] Furthermore, in generating the image, for each compound group identified by a fifth variable and a sixth variable, the sequence map is generated for the plurality of compounds included in the compound group, and the plurality of sequence maps are arranged along a fifth coordinate axis indicating the fifth variable and a sixth coordinate axis indicating the sixth variable, thereby generating an image including a multi-sequence map consisting of the plurality of sequence maps, wherein the fifth variable is one of two variables other than the first to fourth variables among the k variables, and the sixth variable is the other of the two variables other than the first to fourth variables among the k variables, and the fifth coordinate axis may be parallel to one of the third coordinate axis and the fourth coordinate axis, and the sixth coordinate axis may be parallel to the other of the third coordinate axis and the fourth coordinate axis.

[0063] As a result, a plurality of sequence maps classified according to the fifth and sixth variables are displayed arranged, for example, in a matrix along the directions of the first and second coordinate axes, i.e., along the directions of the third and fourth coordinate axes, so that the sequence maps corresponding to the fifth and sixth variables can be easily found, and furthermore, information on compounds having structures expressed by the first to sixth variables can be easily understood from the sequence maps.

[0064] Furthermore, the fifth variable may indicate an element contained in the compound, the sixth variable may indicate an element contained in the compound that is different from the element indicated by the fifth variable, the number of array maps arranged along the fifth coordinate axis in generating the image may be the number of elements that the fifth variable can take, and the number of array maps arranged along the sixth coordinate axis in generating the image may be the number of elements that the sixth variable can take.

[0065] As a result, since the fifth variable and the sixth variable are variables used to represent elements contained in a compound, it is possible to easily find, from among multiple sequence maps, sequence maps corresponding to multiple compounds each having the element of the fifth variable and the element of the sixth variable. Furthermore, from the sequence map, it is possible to easily grasp information about a compound having a structure represented by the first to sixth variables.

[0066] Each step included in the information processing method is executed by a computer.

[0067] Hereinafter, embodiments of the present disclosure will be described with reference to the drawings. Each of the embodiments described below represents a preferred specific example of the present disclosure. Therefore, the numerical values, shapes, materials, components, arrangement positions and connection forms of the components shown in the following embodiments are merely examples and are not intended to limit the present disclosure. Therefore, among the components in the following embodiments, components that are not described in the independent claims that represent the highest concept will be described as optional components.

[0068] It should be noted that the figures are schematic diagrams and are not necessarily precise illustrations. In addition, in the figures, substantially identical components are denoted by the same reference numerals, and redundant explanations are omitted or simplified. The effects of the above-described information processing method are also realized in an information processing device and a program.

[0069] First Embodiment [Configuration of Processing System 1000] FIG. 1 is a diagram showing an example of the configuration of a processing system 1000 according to this embodiment.

[0070] The processing system 1000 in this embodiment is a system for processing information relating to materials, and includes an information processing system 100 , a terminal system 500 , and a database 600 .

[0071] The information processing system 100 is a computer system that determines how to display material information 1, which is information about materials. The material may be, for example, a compound, and more specifically, an inorganic compound (also called an inorganic material). The information processing system 100 is connected to a terminal system 500 and a database 600 via a communication network Nt.

[0072] The terminal system 500 is a computer system that communicates with the information processing system 100 via the communication network Nt.

[0073] The database 600 is a recording medium that stores various types of information. The database 600 may be a hard disk drive, a random access memory (RAM), a read-only memory (ROM), or a semiconductor memory. Note that the database 600 may be either volatile or non-volatile.

[0074] In such a processing system 1000, for example, the information processing system 100 acquires material information 1, which is information about a plurality of materials, in response to an input operation by a user of the information processing system 100. This material information 1 is, for example, a composition list showing the composition formulas of the plurality of materials. The information processing system 100 then determines a display method for the material information 1 and generates and displays a processed image 2 showing the material information 1 according to the display method. Alternatively, the information processing system 100 may transmit the processed image 2 to the terminal system 500 via the communication network Nt and cause the terminal system 500 to display the processed image 2.

[0075] Alternatively, the information processing system 100 acquires the material information 1 from the terminal system 500 via the communication network Nt. Even when the information processing system 100 acquires the material information 1 from the terminal system 500, it determines the display method for the material information 1, as described above, and displays the processed image 2 showing the material information 1 according to the display method. Alternatively, the information processing system 100 may notify the terminal system 500 of the determined display method via the communication network Nt. In this case, it is the terminal system 500, not the information processing system 100, that generates and displays the processed image 2 showing the material information 1 according to the notified display method.

[0076] Alternatively, when material information 1 is stored in the database 600, the information processing system 100 may read the material information 1 from the database 600 via the communication network Nt. Even when the information processing system 100 reads the material information 1 from the database 600, it determines a display method for the material information 1, and generates and displays a processed image 2 showing the material information 1 according to the display method, as described above. Alternatively, the information processing system 100 may transmit display information indicating the determined display method and the material information 1 to the terminal system 500 via the communication network Nt. In this case, the terminal system 500 receives the display information and the material information 1 from the information processing system 100. Then, the terminal system 500 generates and displays a processed image 2 showing the material information 1 according to the display method indicated by the display information.

[0077] The material information 1 transmitted and received between the information processing system 100, the terminal system 500, and the database 600 may be anonymized or encrypted. Alternatively, the composition ratios of two or more elements contained in the multiple composition formulas shown in the material information 1 may be normalized or may be subjected to other predetermined processing. This allows the material information 1 to be transmitted and received while keeping the specific composition formulas of each of the multiple materials confidential.

[0078] [Configuration of Information Processing System 100] FIG. 2A is a diagram showing an example of the configuration of the information processing system 100. As shown in FIG.

[0079] The information processing system 100 includes an input unit 110 , an information processing device 120 , and a display unit 130 .

[0080] The input unit 110 accepts an input operation by a user of the information processing system 100, and outputs an input signal corresponding to the input operation to the information processing device 120. The input unit 110 is configured as, for example, a keyboard, a touch sensor, a touch pad, or a mouse.

[0081] The information processing device 120 is a computer, and includes a communication unit 121 , a control unit 122 , an acquisition unit 123 , an attribute determination unit 124 , a display method determination unit 125 , and an output processing unit 126 .

[0082] The communication unit 121 has a communication function and communicates with the terminal system 500 and the database 600 via the communication network Nt. The communication by the communication unit 121 may be wireless communication or wired communication. The wireless communication may be performed using, for example, Wi-Fi (registered trademark), Bluetooth (registered trademark), ZigBee (registered trademark), or a specified low-power radio. Note that the type of wireless communication is not limited to these.

[0083] The control unit 122 controls the communication unit 121 , the acquisition unit 123 , the attribute determination unit 124 , the display method determination unit 125 , and the output processing unit 126 .

[0084] The acquisition unit 123 acquires an input signal from the input unit 110. Furthermore, the acquisition unit 123 acquires a communication signal from the terminal system 500 or the database 600 via the communication unit 121. Here, the input signal or communication signal acquired by the acquisition unit 123 is, for example, the above-mentioned material information 1. The material information 1 is information about a plurality of compounds, and indicates, for each of the plurality of compounds, the content of two or more elements that constitute the compound and the composition ratio of the two or more elements in the compound. In other words, the acquisition unit 123 in this embodiment acquires the material information 1.

[0085] The attribute discrimination unit 124 discriminates the attributes of the group to which the plurality of compounds belong, based on the material information 1 acquired by the acquisition unit 123. The display method determination unit 125 determines the display method of the material information 1 according to the attributes discriminated by the attribute discrimination unit 124.

[0086] The output processing unit 126 performs output processing to output the material information 1 in accordance with the display method determined by the display method determination unit 125. Specifically, in the output processing, the output processing unit 126 generates a processed image 2 indicating the material information 1 in accordance with the determined display method and outputs the processed image 2 as an image signal. For example, the output processing unit 126 outputs the image signal to the display unit 130. Here, the output processing unit 126 may transmit the image signal as a communication signal to the terminal system 500 via the communication unit 121. Furthermore, the output processing unit 126 may transmit display information indicating the display method determined by the display method determination unit 125 as a communication signal to the terminal system 500 via the communication unit 121.

[0087] The display unit 130 acquires the image signal output from the output processing unit 126 of the information processing device 120, and displays the processed image 2 in accordance with the image signal.

[0088] Such information processing device 120 may be configured with, for example, a processor such as a CPU (Central Processing Unit), volatile memory, non-volatile memory, and a program stored in the non-volatile memory. In this case, the functional configuration of the information processing device 120 is realized by the processor executing the program.

[0089] [Configuration of Terminal System 500] FIG. 2B is a diagram showing an example of the configuration of the terminal system 500. As shown in FIG.

[0090] The terminal system 500 includes an input unit 510 , a terminal device 520 , and a display unit 530 .

[0091] The input unit 510 accepts an input operation by a user of the terminal system 500, and outputs an input signal corresponding to the input operation to the terminal device 520. Like the input unit 110 described above, the input unit 510 is configured as, for example, a keyboard, a touch sensor, a touch pad, or a mouse.

[0092] The terminal device 520 is a computer and includes a communication unit 521 , a control unit 522 , an acquisition unit 523 , and an output processing unit 526 .

[0093] The communication unit 521 has a communication function and communicates with the communication unit 121 of the information processing system 100 via the communication network Nt. The communication by the communication unit 521 may be wireless communication or wired communication, similar to the communication by the communication unit 121. Furthermore, the type of wireless communication is not particularly limited.

[0094] The control unit 522 controls the communication unit 521 , the acquisition unit 523 , and the output processing unit 526 .

[0095] The acquisition unit 523 acquires an input signal from the input unit 510. The acquisition unit 523 also acquires a communication signal from the communication unit 121 of the information processing system 100 via the communication unit 521. Here, the input signal acquired by the acquisition unit 523 is, for example, the above-mentioned material information 1. The communication signal acquired by the acquisition unit 523 may also be the above-mentioned display information, material information 1, etc.

[0096] For example, when the input signal acquired by the acquisition unit 523 is material information 1, the output processing unit 526 transmits the input signal as a communication signal to the information processing device 120 of the information processing system 100 via the communication unit 521. Furthermore, when the communication signal acquired by the acquisition unit 523 is display information, the output processing unit 526 generates a processed image 2 showing the material information 1 in accordance with the display method indicated by the display information, and outputs the processed image 2 as an image signal to the display unit 530. Furthermore, when the communication signal acquired by the acquisition unit 523 is a processed image 2 generated by the information processing system 100, the output processing unit 526 outputs the processed image 2 as an image signal to the display unit 530.

[0097] The display unit 530 acquires the image signal output from the output processing unit 526 of the terminal device 520, and displays the processed image 2 in accordance with the image signal. As a result, even if the user of the terminal system 500 has a composition list showing the composition formulas of a plurality of materials and wishes to conceal the specific composition formulas of each of the plurality of materials shown in the composition list, an image for displaying the entire composition list can be acquired.

[0098] The terminal device 520 may be configured, for example, by a processor such as a CPU, volatile memory, non-volatile memory, and a program stored in the non-volatile memory, similar to the information processing device 120. In this case, the functional configuration of the terminal device 520 is realized by the processor executing the program.

[0099] [Processing Contents of Information Processing Device 120] (Processing of Acquisition Unit 123) The acquisition unit 123 of the information processing device 120 acquires, for example, a composition list indicating the composition formulas of each of a plurality of materials as the above-mentioned material information 1. Hereinafter, material information 1 may be referred to as composition list 1.

[0100] 3A to 3D are diagrams showing examples of composition list 1. FIG.

[0101] The acquisition unit 123 of the information processing device 120 acquires, for example, any of the composition lists 1 shown in FIGS. 3A to 3D. These composition lists 1 indicate the composition formulas of each of a plurality of compounds, i.e., a group containing the plurality of compounds. Each of the plurality of compounds indicated by such composition lists 1 is, for example, a compound used in an experiment to search for a new material or a new compound (i.e., material search). Furthermore, a researcher conducting material search creates the composition list 1 by, for example, organizing the plurality of compounds used in the experiment. Note that the composition lists 1 shown in FIGS. 3A to 3D are merely examples, and the composition lists 1 may further include other composition formulas.

[0102] Here, for example, the attribute of the group of multiple compounds shown by composition list 1 in FIG. 3A is determined to be a first attribute by the attribute discrimination unit 124 of the information processing device 120. Note that composition list 1 in FIG. 3A will also be referred to as composition list 1a hereinafter. The attribute of the group of multiple compounds shown by composition list 1 in FIG. 3B is determined to be a second attribute by the attribute discrimination unit 124 of the information processing device 120. Note that composition list 1 in FIG. 3B will also be referred to as composition list 1b hereinafter. The attribute of the group of multiple compounds shown by composition list 1 in FIG. 3C is determined to be a third attribute by the attribute discrimination unit 124 of the information processing device 120. Note that composition list 1 in FIG. 3C will also be referred to as composition list 1c hereinafter.

[0103] Furthermore, as shown in FIG. 3D , composition list 1 may indicate the characteristic values ​​of each of a plurality of compounds in association with the composition formula of the compound. Composition list 1 shown in FIG. 3D is a list in which the characteristic values ​​of each of a plurality of compounds are indicated, in contrast to composition list 1a of FIG. 3A . The characteristic values ​​may be, for example, physical property values ​​such as the conductivity and density of the compound, predicted values ​​of the compound's properties obtained by machine learning, or calculated values ​​obtained by computational science. Hereinafter, composition list 1 of FIG. 3D will also be referred to as composition list 1d.

[0104] In this disclosure, the coefficients of each element included in the composition formula may be indicated by subscripts or by normal letters, similar to the element symbols. The coefficients of each element included in the composition formula are also called composition coefficients. The ratio of these composition coefficients is also called composition ratio or composition ratio.

[0105] A plurality of compounds belonging to a group of the first attribute are expressed, for example, by the following (Equation 1). In the first attribute, each of the plurality of compounds is expressed by varying the constituent ratios of a small number of elements among the plurality of compounds. For example, the constituent ratios of the small number of elements vary depending on four variables a, b, x, and y, as shown in the following (Equation 1).

[0106] Li ２－３ａ－４ｂ (Ga １－ｘ In ｘ )ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３ ...(Formula 1)

[0107] Such compounds belonging to the first attribute group can also be said to be solid solutions or solid solution types. A solid solution is, for example, a compound in which two or more elements are dissolved in each other and form a uniform solid phase. In the present disclosure, a compound filled with the element Li is also treated as a solid solution. Note that, as shown in the above formula (1), multiple compounds belonging to the first attribute group may contain an element having properties common to the multiple compounds. The element having properties common to the multiple compounds may be the same element, such as element Li or element O, or may be homologous elements, such as element Ga and element In, or element Zr and element Hf.

[0108] The plurality of compounds belonging to the group of the second attribute are expressed, for example, by the following (Equation 2). Note that M and M' in (Equation 2) are variables indicating any element, such as the element Mn, element Cr, element Mo, element Ni, element V, element Al, element Ti, and element Cu. In the second attribute, the plurality of compounds are expressed by slightly changing some of the composition ratios of the plurality of elements (the composition ratios of up to approximately 10 elements). In other words, in each of the plurality of compounds, one or more of the plurality of elements contained in the compound have a composition coefficient that is smaller than the other elements. For example, the variables x and y in the following (Equation 2) are numerical values ​​within the range of 0.001 to 0.009. Therefore, the elements indicated by the variables M and M' have a composition coefficient indicated by the variables x and y that is smaller than the element Fe.

[0109] Fe １－ｘ―ｙ M ｘ M' ｙ ...(Formula 2)

[0110] Such compounds belonging to the second attribute group can also be said to be compounds containing a dopant, or of a dopant type. The dopant is, for example, an element represented by the variable M or M' in (Formula 2).

[0111] A plurality of compounds belonging to a group of the third attribute are expressed, for example, by the following (Equation 3). Note that A, B, and X in (Equation 3) are variables indicating any element, for example, an element other than the rare gases in the first to third periods of the periodic table. The third attribute is an attribute that does not correspond to either the first attribute or the second attribute. For example, in the third attribute, a large number of mutually different elements are expressed in mutually different composition ratios among a plurality of compounds.

[0112] ABX ３ ...(Formula 3)

[0113] Compounds belonging to such a third attribute group can also be said to be of the diverse element combination type, i.e., a wide variety of elements are represented by the variables A, B, and X in (Equation 3), and there is no elemental similarity or commonality between the multiple compounds in that group.

[0114] Note that (Formula 1), (Formula 2), and (Formula 3) are formulas for convenience of explanation. The acquisition unit 123 acquires information on specific composition formulas such as composition lists 1a to 1d, without acquiring information in which the elements and composition coefficients included in the composition formulas are expressed by variables, such as (Formula 1), (Formula 2), and (Formula 3). Furthermore, the acquisition unit 123 may acquire composition list 1, may acquire anonymized or encrypted composition list 1, or may acquire composition list 1 in which the composition ratios are standardized.

[0115] Here, the composition list 1, which is the material information 1 in this embodiment, indicates, for each of a plurality of compounds, two or more elements constituting the compound and the composition ratio of the two or more elements, but the composition ratio may be a ratio other than the composition ratio included in the composition formula.

[0116] That is, in Composition List 1, each of the multiple compounds is represented by a composition formula. The composition formula represents the composition coefficient of each of the multiple elements as a composition ratio. Specifically, in Composition List 1, Li １．５５ Hf ０．８ Zr ０．２ In ０．１０５ Ga ０．０４５ O ３is shown as the composition formula. The composition ratio in the composition formula is element Li:element Hf:element Zr:element In:element Ga=1.55:0.8:0.2:0.105:0.045. However, the composition ratio may be the compounding ratio of the raw materials of the compound. For example, Li １．５５ Hf ０．８ Zr ０．２ In ０．１０５ Ga ０．０４５ O ３ The raw materials are, for example, oxides of the elements Li, Hf, Zr, In, and Ga. １．５５ Hf ０．８ Zr ０．２ In ０．１０５ Ga ０．０４５ O ３ is expressed by the following (Equation 4): Note that the variables a, b, c, d, and e in (Equation 4) represent the blending amounts of the raw materials.

[0117] aLi ２ O+bGa ２ O ３ +cIn ２ O ３ + dZrO ２ +eHfO ２ ...(Formula 4)

[0118] Therefore, for example, composition list 1 includes the composition formula "Li １．５５ Hf ０．８ Zr ０．２ In ０．１０５ Ga ０．０４５ O ３ " may be replaced by the elements Li, Hf, Zr, In, and Ga, and the compounding ratio "a:b:c:d:e."

[0119] Furthermore, the compounds included in Composition List 1 may differ from one another only in the composition coefficient of the element Li, as in the following (Formula 5): By substituting different values ​​for the variable x in the following (Formula 5), ​​composition formulas of the compounds differing only in the composition coefficient of the element Li are expressed.

[0120] Li １．７－ｘ (Ga ０．５ In ０．５ ) ０．１ Zr０．５ Hf ０．５ O ３ ...(Formula 5)

[0121] The composition ratio of multiple elements may also be the ratio of the mass percentages of each of the multiple elements in the compound. For example, the composition ratio may be the mass percentage of the elements indicated by the variables M and M' in (Equation 2). Specifically, the mass percentage of the element may be 0% to 5%. In a specific example, two or more elements indicated in composition list 1b and the composition ratio of the two or more elements may be expressed as shown in (Equation 6) below. Note that the variables a and b in (Equation 6) indicate mass percentages. Furthermore, by dividing the mass percentage of an element by the atomic weight of that element, the mass percentage of that element is converted to the composition coefficient of that element.

[0122] (100-a-b)Fe+aM+bM'...(Formula 6)

[0123] The composition ratios of the elements indicated by the composition formulas in composition list 1 may be normalized. For example, as in composition list 1b in FIG. 3B , the composition ratios of the elements constituting the compound are normalized so that the sum of the composition coefficients of the elements is 1. That is, the acquiring unit 123 acquires composition list 1 indicating the normalized composition ratios of two or more elements for each of the compounds.

[0124] (Processing of the Attribute Discriminator 124) Based on the composition list 1, the attribute discriminator 124 discriminates the attributes of groups to which a plurality of compounds, each represented by a composition formula in the composition list 1, belong. Specifically, the attribute discriminator 124 first acquires the composition list 1 from the acquirer 123. Here, if the composition ratios of the plurality of elements represented by the composition formulas in the composition list 1 have not been normalized, the attribute discriminator 124 may normalize the composition ratios. For example, the attribute discriminator 124 may normalize any one of the composition lists 1a, 1c, and 1d shown in FIGS. 3A, 3C, and 3D.

[0125] Next, the attribute discriminator 124 performs principal component analysis on the composition list 1. At this time, the attribute discriminator 124 counts the number of types of elements included in any of the multiple composition formulas shown in the composition list 1. That is, the attribute discriminator 124 counts the number of all types of elements included in the multiple composition formulas (e.g., g). Then, for each of the multiple composition formulas shown in the composition list 1, the attribute discriminator 124 converts the composition formula into a vector consisting of the counted number of elements, i.e., g elements. The i-th element (i is an integer between 1 and g) included in the vector indicates the composition coefficient of the element corresponding to the i-th element. Next, the attribute discriminator 124 performs principal component analysis on the multiple vectors. For example, for the composition list 1a of FIG. 3A , the attribute discriminator 124 converts the composition formula into a vector consisting of elements corresponding to each of the elements Li, Hf, Zr, In, Ga, and O, i.e., a vector consisting of six elements. In a specific example, the attribute determination unit 124 determines whether the composition formula is “Li １．５５ Hf ０．８ Zr ０．２ In ０．１０５ Ga ０．０４５ O ３ " is converted to (1.55, 0.8, 0.2, 0.105, 0.045, 3). The element "1.55" corresponds to the element Li, the element "0.8" corresponds to the element Hf, the element "0.2" corresponds to the element Zr, the element "0.105" corresponds to the element In, the element "0.045" corresponds to the element Ga, and the element "3" corresponds to the element O.

[0126] 4A to 4C are diagrams showing examples of the results of principal component analysis. Specifically, FIG. 4A shows the results of principal component analysis for composition list 1a. That is, FIG. 4A shows the results of principal component analysis for the group of the first attribute. FIG. 4B shows the results of principal component analysis for composition list 1b. That is, FIG. 4B shows the results of principal component analysis for the group of the second attribute. FIG. 4C shows the results of principal component analysis for composition list 1c. That is, FIG. 4C shows the results of principal component analysis for the group of the third attribute. Furthermore, FIGS. 4A to 4C show the results of principal component analysis as graphs. The horizontal axis of the graph indicates the principal component numbers of multiple principal components, and the vertical axis indicates the contribution rate. Furthermore, curves or broken lines in the graphs indicate the cumulative contribution rates from the first principal component to the h-th principal component (h is the principal component number on the horizontal axis of the graph), and vertical bars in the graphs indicate the contribution rate of the h-th principal component. The principal component number h is an integer equal to or greater than 1.

[0127] As shown in FIG. 4A , in the group with the first attribute, the contribution rate is biased toward the top principal components. The top principal components are the first principal component, the second principal component, and so on. This tendency in contribution rate is seen when each of multiple compounds is a solid solution. Therefore, the attribute discrimination unit 124 determines that the attribute of the group is the first attribute when the cumulative contribution rate from the first principal component to the nth principal component exceeds a first threshold value. Here, n is an integer equal to or greater than 1, and may be, for example, 4. The first threshold value may be, for example, 0.99.

[0128] As described above, the compounds belonging to a group having the first attribute may contain an element having a property common to the compounds. Therefore, when each of the compounds belonging to a group contains an element having a property common to the compounds, the attribute determining unit 124 may determine the first attribute as the attribute of the group.

[0129] As shown in FIG. 4B , in the group with the second attribute, not only the first through fourth principal components but also each of the fifth and subsequent principal components have non-zero contribution ratios. Furthermore, the contribution ratio of the first principal component is clearly greater than the contribution ratios of each of the second and subsequent principal components. This tendency in contribution ratios is observed when each of multiple compounds contains a dopant. Therefore, the attribute discrimination unit 124 determines that the attribute of the group is the second attribute when the contribution ratio of the first principal component is m times or more (m is a value greater than 1) the contribution ratio of the second principal component. Here, m may be, for example, 1.5.

[0130] Note that the second attribute group is a collection of compounds represented by a composition formula containing a small amount of an additive element (e.g., a dopant). Furthermore, when the composition ratio is normalized, i.e., when the ratio of the composition coefficients is normalized, the composition coefficients of the major elements other than the additive element are always smaller than 1 in multiple compounds by an amount corresponding to the composition coefficient of the additive element. In other words, the composition coefficients of the major elements also vary depending on the variation in the composition coefficients of the additive elements. As a result, the second attribute group exhibits the tendency of the contribution rate shown in FIG. 4B. The major element is also called the parent substance.

[0131] 4C , there is no bias in the contribution rates for the group with the third attribute. That is, the contribution rate of the top principal component is not significantly higher than that of the other principal components, and the difference in the contribution rates of the principal components is small. Therefore, when the attribute of a group is not determined to be either the first attribute or the second attribute, the attribute determining unit 124 determines that the attribute of the group is the third attribute.

[0132] In addition, in the group of third attributes, each of the multiple compounds tends to contain many elements that are not contained in other compounds. In other words, the arrangement of non-zero elements is significantly different among the multiple vectors expressed for the group of third attributes. As a result, as described above, there is a tendency for the contribution rate to not be biased in the group of third attributes.

[0133] In addition, when an attribute is specified in response to a user's input operation on the input unit 110, the attribute discrimination unit 124 may discriminate the specified attribute as the attribute of a group to which multiple compounds shown in the composition list 1 belong.

[0134] As described above, the attribute discriminator 124 in this embodiment performs principal component analysis on the multiple compounds using the normalized composition ratios of two or more elements contained in each of the multiple compounds, and determines the first attribute, the second attribute, or the third attribute as the attribute of the group based on the results of the principal component analysis. In other words, the attribute discriminator 124 identifies one or more feature quantities for the multiple compounds based on the variations in the composition ratios of two or more elements contained in each of the multiple compounds, and determines the first attribute as the attribute of the group if the one or more feature quantities satisfy a first condition. Furthermore, the attribute discriminator 124 determines the second attribute as the attribute of the group if the one or more feature quantities satisfy a second condition, and determines the third attribute as the attribute of the group if the one or more feature quantities satisfy a third condition. The above-described group attribute is the attribute of the group of multiple compounds listed in the composition list 1. Furthermore, the one or more feature quantities are, for example, the contribution rates of the first principal component, the second principal component, the third principal component, the fourth principal component, etc. obtained from the results of the principal component analysis. The first condition is, for example, that the cumulative contribution ratios of the first to fourth principal components exceed a first threshold. The second condition is that the contribution ratio of the first principal component is m times or more the contribution ratio of the second principal component. The third condition is that the contribution ratios of the first, second, third, and fourth principal components do not satisfy the first condition, nor do they satisfy the second condition.

[0135] Furthermore, it can be said that each of the multiple compounds belonging to the group with the first attribute is a solid solution, and each of the multiple compounds belonging to the group with the second attribute contains a dopant. Therefore, it can be said that the attribute discrimination unit 124 in this embodiment determines the first attribute as the attribute of the group when each of the multiple compounds belonging to the group is a solid solution, and determines the second attribute as the attribute of the group when each of the multiple compounds contains a dopant. It can also be said that the attribute discrimination unit 124 determines the third attribute as the attribute when each of the multiple compounds is not a solid solution and does not contain a dopant.

[0136] (Processing of Display Method Determination Unit 125) <In the Case of First Attribute> When the attribute determination unit 124 determines that the attribute of a group is the first attribute, the display method determination unit 125 determines the first display method as the method for displaying the composition list 1 of that group. The first display method is a method of determining variables based on the results of principal component analysis, plotting coordinate points of each compound on a graph having coordinate axes indicating the variables, thereby generating a processed image 2, and displaying the processed image 2. The coordinate axes of the graph include an abscissa axis and an ordinate axis. Then, a ordinate axis variable is determined as the variable used on the abscissa axis, and a ordinate axis variable is determined as the variable used on the ordinate axis.

[0137] That is, when the attribute discrimination unit 124 determines that the attribute of the group is the first attribute, the display method determination unit 125 determines the horizontal axis variable and the vertical axis variable based on the results of the principal component analysis. Then, the output processing unit 126 generates processed image 2 by plotting the coordinate points of each compound on a graph having an abscissa axis indicating the horizontal axis variable and an ordinate axis indicating the vertical axis variable, and outputs the processed image 2.

[0138] For example, the display method determination unit 125 may determine a variable indicating the first principal component as the horizontal axis variable of the first display method and a variable indicating the second principal component as the vertical axis variable. Alternatively, the display method determination unit 125 may determine a variable indicating the third principal component as the horizontal axis variable of the first display method and a variable indicating the fourth principal component as the vertical axis variable. Furthermore, the display method determination unit 125 may determine the horizontal axis variable or the vertical axis variable using multiple elements of the nth principal component, which is any one of the first to fourth principal components.

[0139] FIG. 5 is a diagram for explaining a method for determining the horizontal axis variables and vertical axis variables used for the horizontal and vertical coordinate axes of the graph in the first display method.

[0140] The nth principal component has elements corresponding to the composition coefficients of each element. For example, the nth principal component j(n) is expressed by the formula "j(n) = a x Li + b x Hf + c x In + d x Zr + e x Ga + f x O." In the above formula, Li, Hf, In, Zr, Ga, and O are variables into which the composition coefficients of the element Li, the element Hf, the element In, the element Zr, the element Ga, and the element O are respectively substituted. Note that the element symbols (e.g., Li, Al, etc.) included in each of the following formulas are also variables into which the composition coefficients of the elements represented by the element symbols are substituted. Furthermore, a, b, c, d, e, and f in the above formulas are elements (i.e., coefficients) corresponding to the composition coefficients of the elements. The magnitudes of these elements depend on the composition formulas of multiple compounds.

[0141] As shown in FIG. 5A , the display method determination unit 125 identifies the size of each of the multiple elements included in the nth principal component. Then, the display method determination unit 125 selects elements one by one from the multiple elements included in the population in descending order of absolute value. That is, the display method determination unit 125 selects elements from the population in descending order of absolute value. For example, the multiple elements included in the population are a, b, c, d, e, and f. Each time the display method determination unit 125 selects an element, it determines whether the ratio of the norm of a vector consisting of one or more elements selected up to that point to the norm of the original vector exceeds a second threshold. The original vector is a vector consisting of multiple elements included in the population, such as (a, b, c, d, e, f). The second threshold is, for example, 99%. Here, if the display method determination unit 125 determines that the norm ratio exceeds the second threshold, it cancels the selection of that element. 5B, the display method determination unit 125 selects an element a corresponding to the variable Li, an element b corresponding to the variable Hf, an element c corresponding to the variable In, an element d corresponding to the variable Zr, and an element e corresponding to the variable Ga. When these elements are selected, if the proportion of the norm made up of the selected elements exceeds a second threshold, the display method determination unit 125 does not select an element f corresponding to the variable O. The one or more elements selected in this manner are elements having a non-zero value.

[0142] In the above example, the display method determination unit 125 selects elements using a norm, but the norm may not be used. For example, the display method determination unit 125 may select only elements having a size equal to or greater than a threshold, and may not select elements having a size less than the threshold.

[0143] The display method determination unit 125 then discretizes the one or more selected elements. For example, as shown in (a) and (b) of Figures 5A and 5B, the display method determination unit 125 discretizes the selected elements a, b, c, d, and e. That is, the display method determination unit 125 converts elements having positive values ​​into elements having a value of "1" and converts elements having negative values ​​into elements having a value of "-1." In other words, the display method determination unit 125 converts the absolute value of each of the one or more selected elements to 1 and maintains the sign of the element. The display method determination unit 125 may also convert the value of an element not selected (e.g., element f) to 0.

[0144] As a result, the display method determination unit 125 determines the vertical axis variable ya used on the vertical coordinate axis of the graph as "ya=Li+Hf-In+Zr-Ga", for example, as shown in FIG. 5(c).

[0145] The nth principal component may be the fourth principal component, or may be the first, second, or third principal component. Similarly to the vertical axis variable ya, the display method determination unit 125 also determines the horizontal axis variable based on another principal component different from the principal component used for the vertical axis variable ya. The other principal component may be the first, second, third, or fourth principal component. Thus, the variables used for the abscissa and ordinate axes of the graph are determined based on the principal components. In other words, the display method determination unit 125 determines the coordinate axes of the graph. That is, the display method determination unit 125 determines the abscissa and ordinate axes representing the horizontal axis variable and the vertical axis variable obtained from the results of the principal component analysis as the coordinate axes of the graph of the processed image 2. Thus, the first display method is determined.

[0146] The display method determination unit 125 notifies the output processing unit 126 of the horizontal axis variable and vertical axis variable thus determined.

[0147] <In the Case of Second Attribute> On the other hand, when the attribute discrimination unit 124 determines that the attribute of the group is the second attribute, the display method determination unit 125 determines the second display method as the method for displaying the composition list 1 of that group. The second display method is a method of determining the additive elements corresponding to each coordinate axis of one or more graphs based on the results of the principal component analysis, plotting the coordinate points of each compound on those graphs to generate a processed image 2, and displaying that processed image 2. Note that the coordinate axes of each graph include an abscissa axis and an ordinate axis. Each of the abscissa axis and the ordinate axis indicates the composition coefficient of one additive element determined as described above.

[0148] That is, when the attribute discrimination unit 124 determines that the attribute of the group is the second attribute, the display method determination unit 125 determines one or more additional elements based on the results of the principal component analysis. The output processing unit 126 identifies all combinations of two additional elements from the determined one or more additional elements. Then, for each combination, the output processing unit 126 generates a graph having an abscissa axis and an ordinate axis indicating the composition coefficients of the two additional elements included in the combination. Note that the two additional elements included in the combination may be the same or different. Then, the output processing unit 126 generates a processed image 2 by plotting the coordinate points of each compound on these graphs.

[0149] Specifically, the display method determination unit 125 determines one or more additional elements based on the first principal component obtained from the result of the principal component analysis.

[0150] 6A and 6B are diagrams for explaining a method for determining the additional elements.

[0151] As shown in FIG. 6A , the display method determination unit 125 identifies the size of each of the multiple elements included in the first principal component. Then, as described above, the display method determination unit 125 selects elements one by one from the multiple elements included in the population in descending order of absolute value. For example, the first principal component j(1) is expressed by the formula "j(1) = a×A + b×B + c×C + d×D + e×E + f×F." Here, A, B, C, D, E, and F in the above formula are variables into which element composition coefficients are substituted, and a, b, c, d, e, and f are elements (i.e., coefficients) corresponding to the element composition coefficients. The multiple elements included in the population are a, b, c, d, e, and f. Each time the display method determination unit 125 selects an element, it determines whether the ratio of the norm of a vector consisting of one or more elements selected up to that point to the norm of the original vector exceeds a third threshold. The original vector is a vector consisting of multiple elements included in the population, for example (a, b, c, d, e, f), and the third threshold is, for example, 80% or 90%.

[0152] Here, if the display method determination unit 125 determines that the norm ratio exceeds the third threshold, it cancels the selection of that element. For example, as shown in FIG. 6A , the display method determination unit 125 selects element b corresponding to variable B, element d corresponding to variable D, and element e corresponding to variable E. If, when these elements are selected, the norm ratio of the selected elements exceeds the third threshold, the display method determination unit 125 does not select element a corresponding to variable A, element c corresponding to variable C, and element f corresponding to variable F. The one or more elements selected in this manner have non-zero values. Then, the display method determination unit 125 determines the three elements corresponding to the selected elements b, d, and e (i.e., the three elements corresponding to variables B, D, and E) as major elements. Note that the major element determined in this manner based on the result of principal component analysis, i.e., the first principal component, will also be referred to as the first major element hereinafter.

[0153] 6B , the display method determination unit 125 also determines elements other than the first major element determined based on the first principal component as major elements. That is, the display method determination unit 125 further determines elements other than the first major element as major elements without using the results of the principal component analysis. Note that a major element determined in this way without using the results of the principal component analysis is also referred to as a second major element hereinafter.

[0154] Specifically, the display method determination unit 125 calculates the average value and variance of the composition coefficients of each element included in the multiple composition formulas shown in composition list 1. For example, the display method determination unit 125 calculates the average value and variance of the composition coefficients of elements corresponding to variable A, the average value and variance of the composition coefficients of elements corresponding to variable B, and the average value and variance of the composition coefficients of elements corresponding to variable C in the composition formulas of multiple compounds. Then, the display method determination unit 125 identifies, from among the multiple elements included in the multiple composition formulas shown in composition list 1, one or more remaining elements excluding the first major element determined based on the first principal component, an element whose average value of the composition coefficients is greater than 0 and whose variance of the composition coefficients is 0. The display method determination unit 125 also determines the element thus identified as a major element. That is, the display method determination unit 125 determines the element thus identified as a second major element.

[0155] For example, of the six elements corresponding to variables A to F, three elements corresponding to variables B, D, and E are determined as first major elements based on the first principal component. Therefore, of the six elements corresponding to variables A to F, one or more remaining elements excluding the three first major elements are the three elements corresponding to variables A, C, and F. The display method determination unit 125 identifies an element corresponding to variable F from the three elements corresponding to variables A, C, and F as an element whose average value of composition coefficients is greater than 0 and whose variance of composition coefficients is 0. The display method determination unit 125 further determines the identified element corresponding to variable F as a major element. That is, the display method determination unit 125 determines the element corresponding to variable F thus identified as a second major element.

[0156] Note that if there is no element whose average value of the composition coefficient is greater than 0 and whose composition coefficient variance is 0, the second major element is not determined. Therefore, at least one or more major elements including the first major element are determined. Furthermore, the variance of the composition formula being 0 does not necessarily have to be strictly 0. For example, if the variance is within an error range including 0, the variance may be treated as 0.

[0157] The display method determination unit 125 then determines, as additive elements, each of the elements included in the composition formulas shown in composition list 1, excluding the determined one or more major elements. At this time, even if the same element having the same composition coefficient in all of the above-mentioned composition formulas is not determined as the first major element, it is determined as the second major element because the variance of its composition coefficient is 0, and the elements excluding the first and second major elements are determined as additive elements. Therefore, additive elements such as dopants can be appropriately determined.

[0158] For example, as shown in FIG. 6B , the display method determination unit 125 determines the element corresponding to variable A and the element corresponding to variable C as the additive elements. In other words, the display method determination unit 125 determines the coordinate axes of the graph. That is, the display method determination unit 125 determines the coordinate axes corresponding to the additive elements obtained from the results of the principal component analysis as the coordinate axes of the graph of processed image 2. This determines the second display method. Note that the coordinate axes show the composition coefficients of the additive elements as variables.

[0159] The display method determination unit 125 notifies the output processing unit 126 of the at least one additional element determined in this manner.

[0160] <In the Case of Third Attribute> On the other hand, when the attribute discrimination unit 124 determines that the attribute of the group is the third attribute, the display method determination unit 125 determines the third display method as the display method for the composition list 1 corresponding to the group. The third display method is, for example, a method of notifying the user that there is no coherence among the multiple compounds shown in the composition list 1 by displaying the composition list 1 according to the first display method and the second display method, or a method of prompting the user to reconsider the compounds shown in the composition list 1. In other words, the third display method is a method of notifying an error. Then, the display method determination unit 125 notifies the output processing unit 126 of the determined third display method.

[0161] In this embodiment, the display method determination unit 125 determines the third display method when it determines that the attribute of the group is the third attribute, but it does not have to determine the display method of the composition list 1 corresponding to that group.

[0162] <Summary of Determining Display Method> In this way, the display method determination unit 125 in this embodiment determines the display method of material information 1, which is composition list 1, by determining the coordinate axes indicating the variables obtained from the results of principal component analysis as the coordinate axes of the graph of processed image 2.

[0163] Furthermore, when the attribute discrimination unit 124 determines that the first attribute is an attribute of the group, the display method determination unit 125 discretizes each of the one or more coefficients used in the n-th principal component obtained by the principal component analysis. Furthermore, the display method determination unit 125 determines coordinate axes indicating variables expressed based on the one or more discretized coefficients as coordinate axes of the graph of the processed image 2. For example, the variable indicated by the coordinate axes is the above-mentioned vertical axis variable ya, which is expressed as "ya = Li + Hf - In + Zr - Ga" based on the one or more discretized coefficients, i.e., 1 or -1.

[0164] Furthermore, when the attribute discrimination unit 124 determines that the second attribute is an attribute of the group, the display method determination unit 125 classifies the elements contained in the compounds into one or more first elements and one or more second elements based on one or more coefficients used in the first principal component obtained by principal component analysis. The first element is, for example, the first major element described above, and the second element is an element other than the first major element. The display method determination unit 125 then identifies at least one element from the one or more second elements as an additive element. Furthermore, for each of the at least one additive element, the display method determination unit 125 determines coordinate axes representing the composition coefficient of the additive element as a variable as coordinate axes of the graph of the processed image 2. Here, in the first principal component, the absolute value of each coefficient of the one or more second elements is smaller than the absolute value of each coefficient of the one or more first elements, and the variance of each composition coefficient of the at least one additive element is greater than zero.

[0165] (Processing of output processing unit 126) The output processing unit 126 generates a processed image 2 showing the composition list 1 in accordance with the display method determined by the display method determination unit 125, and outputs the processed image 2 as an image signal. That is, for each of the multiple compounds shown in the composition list 1, the output processing unit 126 generates a processed image 2 showing coordinates derived from at least one of two or more elements constituting the compound and the composition ratio of the two or more elements in the compound in accordance with the above-described display method, and outputs the processed image 2. As a result, the processed image 2 is displayed on the display unit 130, for example.

[0166] <First Attribute> FIGS. 7A and 7B are diagrams showing an example of a processed image 2 generated for a composition list 1a of a first attribute.

[0167] 7A, the output processing unit 126 generates a processed image 2 showing the composition list 1a according to the first display method. The processed image 2 has an abscissa axis and an ordinate axis, and includes a graph 60 on which coordinate points of each compound shown in the composition list 1a are plotted.

[0168] The abscissa axis is a coordinate axis showing the abscissa variable xa. The abscissa variable xa is a variable determined by the display method determination unit 125 based on, for example, the third principal component. In a specific example, the abscissa variable xa is expressed by the formula "xa = In - Ga" or "xa = (In) - (Ga)." In this formula, Ga or (Ga) is a variable into which the composition coefficient of the element Ga is substituted, and In or (In) is a variable into which the composition coefficient of the element In is substituted. Note that the composition coefficients substituted for the abscissa variable xa may be normalized so that the sum of the composition coefficients included in the composition formula becomes 1.

[0169] The vertical coordinate axis represents the vertical axis variable ya. The vertical axis variable ya is a variable determined by the display method determination unit 125 based on, for example, the fourth principal component. In a specific example, the vertical axis variable ya is expressed by the formula "ya = Li + Hf - In + Zr - Ga" or "ya = (Zr, Hf, Li) - (In, Ga)." Note that (Zr, Hf, Li) represents the sum of the composition coefficient of the element Li, the composition coefficient of the element Hf, and the composition coefficient of the element Zr, and (In, Ga) represents the sum of the composition coefficient of the element In and the composition coefficient of the element Ga. Note that the composition coefficients substituted for the vertical axis variable ya may be normalized so that the sum of the composition coefficients included in the composition formula is 1. In addition, in the following formulas, an arrangement of multiple element symbols enclosed in parentheses represents the sum of the composition coefficients of the elements corresponding to those element symbols.

[0170] In the above example, in the equation "xa = In - Ga" showing the horizontal axis variable xa and the equation "ya = (Zr, Hf, Li) - (In, Ga)" showing the vertical axis variable ya, the increase or decrease of the element before the "-" and the element after it are complementary.

[0171] As shown in FIG. 7A, the graph 60 shows the composition formulas shown in the composition list 1a, that is, the above-mentioned (Formula 1) "Li ２－３ａ－４ｂ (Ga １－ｘ In ｘ ) ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３" are plotted. The coordinate points of the compound have coordinates consisting of the value of the horizontal axis variable xa and the value of the vertical axis variable ya, and are indicated by black circles in the example of FIG. 7A. The value of the horizontal axis variable xa is obtained by substituting the composition coefficients of the elements Ga and In contained in the composition formula of the compound into the formula "xa = (Ga) - (In)." The value of the vertical axis variable ya is obtained by substituting the composition coefficients of the elements Zr, Hf, Li, In, and Ga contained in the composition formula of the compound into the formula "ya = (Zr, Hf, Li) - (In, Ga)."

[0172] That is, the output processing unit 126 generates a graph 60 having an abscissa axis indicating the horizontal axis variable xa determined by the display method determination unit 125 and an ordinate axis indicating the vertical axis variable ya determined by the display method determination unit 125. Next, for each of the plurality of composition formulas shown in the composition list 1a, the output processing unit 126 substitutes the composition coefficients of the plurality of elements included in the composition formula into the above-mentioned formulas "xa = (Ga) - (In)" and "ya = (Zr, Hf, Li) - (In, Ga)." Through this substitution, the output processing unit 126 calculates the coordinates of each of the plurality of compounds corresponding to the plurality of composition formulas. Then, the output processing unit 126 plots coordinate points on the graph 60 at the calculated coordinates.

[0173] In this graph 60, the values ​​indicated by the abscissa axis are values ​​obtained by subtracting the composition coefficient of the element Ga from the composition coefficient of the element In. Therefore, it can be easily seen from the graph 60 that compounds with coordinate points located further to the left of the graph 60 have a higher Ga content, and compounds with coordinate points located further to the right of the graph 60 have a higher In content. Furthermore, in the example of FIG. 7A , many coordinate points are displayed vertically at the abscissa variable xa = 0 on the abscissa axis. This makes it easy to see from the graph 60 that composition list 1 includes many compounds containing equal amounts of the elements Ga and In. In other words, when composition list 1 includes multiple compounds used in an experiment, it can be easily understood that many compounds containing equal amounts of the elements Ga and In were used in the experiment. Furthermore, in the graph 60, many other coordinate points are distributed symmetrically around the vertical line of coordinate points at the abscissa variable xa = 0. Therefore, the symmetry of the contents of the element Ga and the element In can be easily grasped for the plurality of compounds used in the experiment.

[0174] The same effect as the abscissa axis is achieved for the ordinate axis of graph 60. Therefore, in graph 60, the variables used for both the abscissa axis and the ordinate axis are expressed as at least one of addition and subtraction of composition coefficients of one or more elements. As a result, it is possible to easily grasp the difference in composition formula, i.e., the difference in composition coefficients or the difference in composition ratios of multiple elements, at two coordinate points along the abscissa axis or the ordinate axis.

[0175] Alternatively, the output processing unit 126 generates a processed image 2 showing the composition list 1a according to the first display method, as shown in Fig. 7B. This processed image 2 includes a graph 61 having an abscissa axis and an ordinate axis, and on which coordinate points of each compound shown in the composition list 1a are plotted, similar to the example shown in Fig. 7A. However, in the example shown in Fig. 7B, the variables indicated by the abscissa axis and the ordinate axis of the graph are different from those in the example shown in Fig. 7A.

[0176] The abscissa axis represents the abscissa variable xb. The abscissa variable xb is, for example, a variable representing the third principal component. The ordinate axis represents the ordinate variable yb. The ordinate variable yb is, for example, a variable representing the fourth principal component. In other words, in the graph 61 shown in FIG. 7B , the third and fourth principal components are used as they are on the coordinate axes.

[0177] As shown in FIG. 7B, the graph 61 shows the composition formulas shown in the composition list 1a, that is, the above-mentioned (Formula 1) "Li ２－３ａ－４ｂ (Ga １－ｘ In ｘ ) ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３ " are plotted. The coordinate points of the compound have coordinates consisting of the value of the horizontal axis variable xb and the value of the vertical axis variable yb, and are indicated by black circles in the example of FIG. 7B. The value of the horizontal axis variable xb is obtained by substituting the composition coefficients of each element included in the composition formula of the compound into the formula for deriving the third principal component. For example, the formula is "xb = a1 × Li + b1 × Ga + c1 × In + d1 × Zr + e1 × Hf + f1 × O". Note that a1, b1, c1, d1, e1, and f1 are coefficients corresponding to the composition coefficients of the elements. The value of the vertical axis variable yb is obtained by substituting the composition coefficients of each element included in the composition formula of the compound into the formula for deriving the fourth principal component. For example, the formula is "yb = a2 × Li + b2 × Ga + c2 × In + d2 × Zr + e2 × Hf + f2 × O". Each of a2, b2, c2, d2, e2, and f2 is a coefficient corresponding to the composition coefficient of an element.

[0178] That is, the output processing unit 126 generates a graph 61 having an abscissa axis indicating the horizontal axis variable xb and an ordinate axis indicating the vertical axis variable yb determined by the display method determination unit 125. Next, for each of the multiple composition formulas shown in the composition list 1a, the output processing unit 126 substitutes the composition coefficients of the multiple elements included in the composition formula into the above-mentioned formulas "xb = a1 × Li + b1 × Ga + c1 × In + d1 × Zr + e1 × Hf + f1 × O" and "yb = a2 × Li + b2 × Ga + c2 × In + d2 × Zr + e2 × Hf + f2 × O." ​​Through this substitution, the output processing unit 126 calculates the coordinates of each of the multiple compounds corresponding to the multiple composition formulas. Then, the output processing unit 126 plots coordinate points on the graph 61 at the calculated coordinates.

[0179] In such a graph 61, the distribution of each compound shown in the composition list 1a can be easily understood from the viewpoint of the third and fourth principal components.

[0180] 7A and 7B, the variables indicated by the coordinate axes of the graphs 60 and 61 are obtained based on the third or fourth principal component, but variables obtained based on the first or second principal component may be used for those coordinate axes.

[0181] 8A and 8B are diagrams showing other examples of the processed image 2 generated for the composition list 1a of the first attribute.

[0182] 8A, the output processing unit 126 generates a processed image 2 showing the composition list 1a according to the first display method. The processed image 2 has an abscissa axis and an ordinate axis, and includes a graph 62 on which coordinate points of each compound shown in the composition list 1a are plotted.

[0183] The abscissa axis represents the abscissa variable xc. The abscissa variable xc is determined by the display method determination unit 125 based on, for example, the first principal component. In a specific example, the abscissa variable xc is expressed by the formula "xc = Zr - Hf - Li" or "xc = (Zr) - (Hf, Li)." In this formula, Zr or (Zr) is a variable into which the composition coefficient of the element Zr is substituted, and Hf and Li are variables into which the composition coefficient of the element Hf and the composition coefficient of the element Li are substituted, respectively. Note that (Hf, Li) means the sum of the composition coefficient of the element Hf and the composition coefficient of the element Li. Furthermore, the composition coefficients substituted for the abscissa variable xc may be normalized so that the sum of the composition coefficients included in the composition formula becomes 1.

[0184] The ordinate axis is a coordinate axis indicating the vertical axis variable yc. The vertical axis variable yc is a variable determined by the display method determination unit 125 based on, for example, the second principal component. In a specific example, the vertical axis variable yc is expressed by the formula "yc = O + Hf - Li" or "yc = (O, Hf) - (Li)." In this formula, Li or (Li) is a variable into which the composition coefficient of the element Li is substituted, and O and Hf are variables into which the composition coefficient of the element O and the composition coefficient of the element Hf are substituted, respectively. Note that (O, Hf) means the sum of the composition coefficient of the element O and the composition coefficient of the element Hf. Furthermore, the composition coefficients substituted for the vertical axis variable yc may be normalized so that the sum of the composition coefficients included in the composition formula becomes 1.

[0185] As shown in FIG. 8A, the graph 62 shows the composition formulas shown in the composition list 1a, that is, the above-mentioned (Formula 1) "Li ２－３ａ－４ｂ (Ga １－ｘ In ｘ ) ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３" are plotted. The coordinate points of the compound have coordinates consisting of the value of the horizontal axis variable xc and the value of the vertical axis variable yc, and are indicated by black circles in the example of FIG. 8A. The value of the horizontal axis variable xc is obtained by substituting the composition coefficients of the elements Zr, Hf, and Li contained in the composition formula of the compound into the formula "xc = (Zr) - (Hf, Li)." The value of the vertical axis variable yc is obtained by substituting the composition coefficients of the elements O, Hf, and Li contained in the composition formula of the compound into the formula "yc = (O, Hf) - (Li)."

[0186] That is, the output processing unit 126 generates a graph 62 having an abscissa axis indicating the horizontal axis variable xc and an ordinate axis indicating the vertical axis variable yc determined by the display method determination unit 125. Next, for each of the plurality of composition formulas shown in the composition list 1a, the output processing unit 126 substitutes the composition coefficients of the plurality of elements included in that composition formula into the above-mentioned formulas "xc = (Zr) - (Hf, Li)" and "yc = (O, Hf) - (Li)." Through this substitution, the output processing unit 126 calculates the coordinates of each of the plurality of compounds corresponding to the plurality of composition formulas. Then, the output processing unit 126 plots coordinate points on the graph 62 at the calculated coordinates.

[0187] Furthermore, as shown in FIG. 8A , the output processing unit 126 may superimpose composition formulas corresponding to coordinate points shown on the graph 62 on the graph 62 in association with the coordinate points. The output processing unit 126 may superimpose composition formulas corresponding to all of the coordinate points, or may identify one or more of all of the coordinate points and superimpose composition formulas corresponding to the identified one or more coordinate points. The composition ratios shown in the superimposed composition formulas, i.e., the ratios of the composition coefficients, may be normalized or not. Furthermore, such composition formulas may be treated as legends.

[0188] For example, the output processing unit 126 may perform convex hull processing to identify coordinate points treated as vertices as convex hull coordinate points from the coordinate points of multiple compounds. That is, the output processing unit 126 calculates a convex hull for each coordinate of the multiple compounds shown in the graph 62 and superimposes composition information indicating the composition of the compound corresponding to the vertex of the calculated convex hull on the processed image 2. The composition information is, for example, a composition formula. The output processing unit 126 then outputs the processed image 2 on which the composition information is superimposed. Furthermore, the output processing unit 126 may display the convex hull coordinate points shown in the graph 62 of the processed image 2 in a manner different from that of the other coordinate points. That is, for example, as shown in FIG. 8A , the output processing unit 126 generates a processed image 2 including a graph 62 in which convex hull coordinate points are indicated by white circles and coordinate points other than the convex hull coordinate points are indicated by black circles, and displays the processed image 2 on the display unit 130.

[0189] This allows the composition formulas (i.e., composition information) to be displayed to be automatically determined, and allows the user to easily grasp the overall picture of the composition list 1a by displaying the minimum necessary composition formulas. In other words, the user can easily grasp what composition formulas the composition list 1 contains. Alternatively, the user can easily grasp the bias in the composition formulas and the areas where the composition formulas are insufficient. Therefore, for example, the user can easily grasp the necessity of an experiment using a compound having a composition formula included in that area.

[0190] Alternatively, the output processing unit 126 generates a processed image 2, which is an image showing the composition list 1a and includes a graph 63, according to the first display method, as shown in FIG. 8B . Similar to the example of FIG. 8A , the graph 63 has a composition formula superimposed thereon. The graph 63 is a graph generated by superimposing the composition formula on the graph 60 of FIG. 7A . Furthermore, in the graph 63, the convex hull coordinate points identified by the convex hull processing are indicated by white circles, and the composition formulas corresponding to the convex hull coordinate points are superimposed in association with the convex hull coordinate points. That is, the output processing unit 126 identifies one or more convex hull coordinate points by performing convex hull processing on the multiple coordinate points shown in the graph 60 of FIG. 7A . Then, for each of the one or more convex hull coordinate points, the output processing unit 126 represents the convex hull coordinate point with a white circle, and superimposes the composition formula corresponding to the convex hull coordinate point on the graph 63 in association with the convex hull coordinate point. This generates the graph 63 in which the convex hull coordinate points and the composition formulas are clearly indicated.

[0191] Here, among the coordinate points on the graph 63 where the value of the vertical axis variable ya is the smallest, the convex hull coordinate point where the value of the horizontal axis variable xa is the smallest and the convex hull coordinate point where the value of the horizontal axis variable xa is the largest are superimposed in association with composition formula 11 and composition formula 12, respectively. ０．２ Zr １．３ Ga ０．２ O ３ " and "Li ０．２ Hf １．１７ Zr ０．１３ In ０．２ O ３ ". Comparing these two composition formulas 11 and 12, composition formula 11 "Li ０．２ Zr １．３ Ga ０．２ O ３ It can be easily understood that the element Ga is contained in a large amount in the composition formula 12 "Li ０．２ Hf １．１７ Zr ０．１３ In ０．２ O ３Therefore, the user can easily understand that the composition list 1 a includes a plurality of compounds having different composition ratios of the elements Ga and In, for example, from the plurality of coordinate points on the graph 63 having the smallest value of the vertical axis variable ya.

[0192] As shown in the examples of FIGS. 8A and 8B , the output processing unit 126 superimposes only the composition formulas corresponding to the convex hull coordinate points among all coordinate points on the graph 62 or 63. If the composition formulas corresponding to all coordinate points were superimposed, the composition formulas would be obscured by other composition formulas, making them difficult for the user to see. In other words, the visibility of the composition formulas may be reduced. On the other hand, in this embodiment, by superimposing only the composition formulas corresponding to the convex hull coordinate points among all coordinate points, such a reduction in visibility can be suppressed. Furthermore, the composition formulas corresponding to these convex hull coordinate points alone can allow the user to easily grasp the outline of the composition formulas corresponding to all coordinate points. In other words, in this embodiment, it is possible to suppress a reduction in the visibility of the composition formulas and to easily grasp all the composition formulas shown in the composition list 1a from a bird's-eye view.

[0193] In this embodiment, only the composition formulas corresponding to the convex hull coordinate points are superimposed, but the composition formulas corresponding to all the coordinate points may be arranged so as not to overlap each other, thereby suppressing a decrease in the visibility of the composition formulas. Furthermore, the output processing unit 126 may display the coordinate points by applying a color or a marker according to their characteristic values.

[0194] Furthermore, in this embodiment, since the composition formula is superimposed on the graph, the user can easily determine whether the graph displayed on the display unit 130 is appropriate. If the user determines that the graph is inappropriate, the information processing device 120 may change the display method of the composition list 1 in accordance with the user's input operation on the input unit 110. For example, the information processing device 120 may determine that an attribute specified by the user is an attribute of the group, and may determine that the variable used for the coordinate axis of the graph included in the processed image 2 is the variable specified by the user.

[0195] <In the Case of Second Attribute> FIG. 9 is a diagram showing an example of a processed image 2 generated for the composition list 1b of the second attribute.

[0196] As shown in FIG. 9 , the output processing unit 126 generates a processed image 2 showing the composition list 1b according to the second display method. This processed image 2 includes a plurality of graphs 64 arranged in a matrix. Each of the plurality of graphs 64 has an abscissa axis indicating the composition coefficient of the additional element determined by the display method determination unit 125 and an ordinate axis indicating the composition coefficient of the additional element determined by the display method determination unit 125. That is, each of the plurality of graphs 64 corresponds to a combination of two additional elements. For each of the plurality of composition formulas shown in the composition list 1b, the output processing unit 126 identifies a graph 64 corresponding to each combination of two additional elements included in the composition formula. Then, the output processing unit 126 plots coordinate points on the identified graph 64 at coordinates indicated by the composition coefficients of the two additional elements. In the example of FIG. 9 , the coordinate points are indicated by black circles. Note that the composition coefficients indicated by the ordinate axis and the abscissa axis may or may not be normalized.

[0197] 9 , when the display method determination unit 125 determines nine additional elements, namely, Ti, Mo, Mn, Al, Cr, Cu, V, Ni, and Nb, the output processing unit 126 generates a processed image 2 including 9×9 graphs 64. For example, graph 64a among these graphs 64 has an abscissa axis indicating the composition coefficient of Nb and an ordinate axis indicating the composition coefficient of Ti. Furthermore, nine graphs each having an abscissa axis corresponding to a different additional element are arranged horizontally, and nine graphs each having an ordinate axis corresponding to a different additional element are arranged vertically.

[0198] These 9 × 9 graphs 64 also include nine graphs 64 whose abscissa and ordinate axes indicate the composition coefficient of the same element. These nine graphs 64 are arranged along a diagonal direction from the upper left to the lower right of the 9 × 9 graphs 64 arrangement. In these nine graphs 64, the abscissa and ordinate axes indicate the composition coefficient of the same element, so that at each coordinate point, the value on the abscissa and the value on the ordinate are the same. Note that, instead of such graphs 64 indicating the composition coefficients of the same element, the output processing unit 126 may generate a histogram indicating the composition coefficient and appearance frequency of the additional element and include it in the processed image 2. The abscissa axis of the histogram indicates the composition coefficient of the additional element, and the ordinate axis indicates the appearance frequency of the additional element having that composition coefficient.

[0199] In the example of FIG. 9 , in graph 64 a, coordinate points of compounds that do not contain at least one of the elements Nb and Ti are plotted on the abscissa or ordinate axis. On the other hand, coordinate points of compounds that contain both the elements Nb and Ti are plotted at positions off the abscissa or ordinate axis. Therefore, by looking at graph 64 a, a user can easily determine the presence of a compound that contains both the elements Nb and Ti. In this embodiment, as in the example of FIG. 9 , graphs 64 corresponding to all combinations of two additional elements are displayed. Therefore, by looking at these graphs 64, a user can easily determine whether or not the compounds shown in composition list 1 contain any two additional elements, and can also easily determine the composition coefficients of the two additional elements.

[0200] 3D , when characteristic values ​​are associated with the composition formulas of multiple compounds in the composition list 1d, the output processing unit 126 may display the coordinate points with colors or markers corresponding to the characteristic values, thereby enabling the user to easily understand what characteristic values ​​can be obtained for what combinations of additional elements and what composition coefficients of the additional elements.

[0201] Furthermore, for example, if the additive element is a dopant, the example in Figure 9 shows the type and concentration of the dopant contained in each of the multiple compounds. The dopant concentration can also be considered the composition coefficient or composition ratio of the additive element. If the type of dopant differs between materials containing dopants, the properties of the materials will also differ. That is, the type of dopant that has the desired properties in the materials can be identified. Regarding the dopant concentration, if the dopant concentrations differ slightly between materials containing dopants, the properties of the materials will also differ. That is, from slight differences in dopant concentration, the dopant concentration that has the desired properties in the materials can be identified. Note that the materials are compounds. In material development, to create a material with desired properties, multiple compounds that differ from each other in at least one of the dopant type and dopant concentration are often generated and compared. In the process of comparing multiple compounds, the greater the number of compounds, the more complicated it becomes to organize the compounds. Therefore, comparing a large number of unorganized compounds can hinder the efficiency of material development. Furthermore, when multiple compounds with different dopant types and dopant concentrations are produced, the number of production conditions increases, making it cumbersome to organize the multiple compounds. As a result, comparing many unorganized compounds becomes a factor hindering the efficiency of material development.

[0202] However, in this embodiment, as shown in Fig. 9, the types and concentrations of dopants contained in each of a plurality of compounds are organized and displayed. This makes it possible to easily grasp the types and concentrations of dopants contained in each of a plurality of compounds. This contributes to the efficiency of material development.

[0203] <In the case of the third attribute> Fig. 10A is a diagram showing an example of a processed image 2 generated for the composition list 1c of the third attribute. Figs. 10B, 10C, and 10D are enlarged views of a part of the processed image 2 of Fig. 10A.

[0204] 10A, the output processing unit 126 generates a processed image 2 showing the composition list 1c according to the third display method. The processed image 2 includes message information 2a, a principal component analysis result 2b, first attribute processed images 2c and 2d, and a second attribute processed image 2e.

[0205] The message information 2 a indicates, by a character string, that the input data, which is, for example, the composition list 1 c, needs to be reviewed. In other words, the message information 2 a indicates that the attribute of the group including the multiple compounds shown in the composition list 1 c does not correspond to either the first attribute or the second attribute, and that there is no appropriate display method for the composition list 1 c.

[0206] The first attribute processed image 2c is an image showing the composition list 1c according to the first display method, and includes a graph having two coordinate axes based on the first and second principal components. That is, the output processing unit 126 causes the display method determination unit 125 to determine horizontal and vertical axis variables used for the two coordinate axes of the graph for displaying the composition list 1c according to the first display method. The horizontal and vertical axis variables are, for example, variables based on the first and second principal components.

[0207] 10B , the output processing unit 126 generates a graph 65 having an abscissa axis indicating a horizontal axis variable based on the first principal component determined by the display method determination unit 125 and an ordinate axis indicating a vertical axis variable based on the second principal component determined by the display method determination unit 125. Then, the output processing unit 126 plots the coordinate points of each compound shown in the composition list 1c on the graph 65, generates a processed image 2c for a first attribute having the graph 65, and includes the generated processed image 2c in the processed image 2.

[0208] In this example, even though the attribute of the composition list 1c is not the first attribute, the graph 65 is generated according to the first display method. Therefore, as shown in Fig. 10B, calculation of the values ​​of the horizontal axis variable and the vertical axis variable used for the two coordinate axes of the graph 65 requires composition coefficients of more elements than in the example shown in Fig. 7A.

[0209] As a result, it is difficult for a user who views the first attribute processed image 2c to understand the trends and overall picture of the multiple compounds from the first attribute processed image 2c, and therefore the user can easily understand that the multiple compounds shown in the composition list 1c need to be reconsidered.

[0210] The first attribute processed image 2d is an image showing the composition list 1c in accordance with the first display method, and includes a graph having two coordinate axes based on the third and fourth principal components. That is, the output processing unit 126 causes the display method determination unit 125 to determine horizontal and vertical axis variables used for the two coordinate axes of the graph for displaying the composition list 1c in accordance with the first display method. The horizontal and vertical axis variables are, for example, variables based on the third and fourth principal components.

[0211] 10C , the output processing unit 126 generates a graph 66 having an abscissa axis indicating a horizontal axis variable based on the third principal component determined by the display method determination unit 125 and an ordinate axis indicating a vertical axis variable based on the fourth principal component determined by the display method determination unit 125. Then, the output processing unit 126 plots the coordinate points of each compound shown in the composition list 1c on the graph 66, generates a processed image 2d for a first attribute having the graph 66, and includes the generated processed image 2d in the processed image 2.

[0212] In this example, even though the attribute of the composition list 1c is not the first attribute, the graph 66 is generated according to the first display method. Therefore, as shown in Fig. 10C, calculation of the values ​​of the horizontal axis variable and the vertical axis variable used for the two coordinate axes of the graph 66 requires composition coefficients of more elements than in the example shown in Fig. 7A.

[0213] As a result, it is difficult for a user who views the first attribute processed image 2d to understand the trends and overall picture of the multiple compounds from the first attribute processed image 2d, and therefore the user can easily understand that the multiple compounds shown in the composition list 1c need to be reconsidered.

[0214] The second attribute processed image 2e is an image showing the composition list 1c in accordance with the second display method, and includes multiple graphs each having two coordinate axes showing the composition coefficients of two additional elements. That is, the output processing unit 126 causes the display method determination unit 125 to determine the multiple additional elements used to display the composition list 1c in accordance with the second display method.

[0215] However, when the attribute of a group of multiple compounds shown in the composition list 1c is the third attribute, there is a possibility that many additional elements will be determined by the display method determination unit 125. In a specific example, 61 additional elements may be determined. If each of these many additional elements is used on the ordinate and abscissa axes, 61 × 61 graphs will be generated, which makes it difficult to grasp the coordinate points of the multiple compounds included in the composition list 1c.

[0216] Therefore, the output processing unit 126 arbitrarily extracts up to 10 additional elements from these 61 additional elements, as shown in Fig. 10D. Then, the output processing unit 126 identifies all combinations of two additional elements from the 10 additional elements and generates a graph 67 for each combination. In other words, 10 x 10 graphs 67 are generated. The abscissa and ordinate axes of this graph 67 indicate the composition coefficients of the two additional elements.

[0217] 10D , the output processing unit 126 plots the coordinate points of each compound shown in the composition list 1c on one of the graphs 67, generates a second-attribute processed image 2e having the graphs 67, and includes the generated second-attribute processed image 2e in the processed image 2. The number of all additive elements determined by the display method determination unit 125 and the number of additive elements extracted from all the additive elements and used in the multiple graphs 67 may be written in text. For example, the text may be written as "10 of 61 additive elements displayed."

[0218] However, even if the number of additive elements is limited from 61 to 10 as described above, the composition list 1c is displayed in the second attribute processed image 2e based on only a portion of the many additive elements, and the entire composition list 1c is not displayed. Therefore, it is difficult for a user who views this second attribute processed image 2e to read the trends and overall picture of the multiple compounds from the second attribute processed image 2e. Therefore, the user can easily understand that the multiple compounds shown in the composition list 1c need to be reviewed.

[0219] In this way, the display of the processed image 2 shown in FIG. 10A allows the user to reselect a compound shown in the composition list 1c. That is, the user changes the composition formula of a compound shown in the composition list 1c, or adds or deletes a composition formula, by performing an input operation on the input unit 110. When such a reselection is performed, the information processing device 120 acquires the reselected composition list 1 and repeatedly performs the same processing as described above based on the reselected composition list 1. Furthermore, when a reselection is performed, the information processing device 120 may repeatedly perform the same processing as described above based on the reselected composition list 1 not only when the processed image 2 shown in FIG. 10A is displayed, but also when the processed images 2 shown in FIGS. 7A to 9 are displayed.

[0220] Fig. 11 is a diagram for explaining the effect of the information processing device 120 according to the present embodiment. In Fig. 11, processed image 2 by the information processing device 120 according to the present embodiment is shown in comparison with comparative examples such as graphs 71 and 72.

[0221] In materials development, experiments are conducted for various purposes and data is collected. It is expected that data from experiments conducted for various purposes will be collected in one place and used as a large-scale dataset. However, if such data is collected in one place, it is difficult for a human to visually determine the attributes of a composition list, which is a dataset consisting of a large amount of collected data, and it takes time to confirm the contents of the composition list. Furthermore, in conventional materials development, the method of collecting experimental data, i.e., which data is collected to create a composition list, is subjective. For example, even if it is easy for the creator of the composition list to confirm the composition list, it is difficult for a third party to confirm the contents of the composition list because they cannot determine the attributes of the composition list.

[0222] However, the information processing device 120 according to this embodiment can determine the attribute and display a processed image 2 according to the attribute.

[0223] For example, as shown in FIG. 11 , the accumulated data includes composition lists A, B, and C. In the comparative example, each of the multiple composition formulas shown in these composition lists is treated as a vector having composition coefficients as elements, and principal component analysis is performed on these vectors. Graphs 71 and 72 are then generated. The abscissa and ordinate axes of each of the graphs 71 and 72 indicate the principal components as variables. Note that the graph 71 is generated from the composition list A, and the graph 72 is generated from the composition list B. These graphs 71 and 72 are scatter plots that show the composition formulas shown in the composition lists A and B as coordinate points, and are generated using the same method regardless of the attributes of the composition lists A and B.

[0224] From these graphs 71 and 72, it can be seen that composition lists A and B have some kind of distribution, but to determine the specific extent of the distribution, it is necessary to check each element of the principal component. Furthermore, a set of multiple elements included in a principal component is a vector of a dimension corresponding to the number of element species shown in composition list A or B. Therefore, even if the multiple elements (i.e., vectors) are checked, it is not necessarily easy to interpret from graphs 71 and 72 what the distribution of coordinate points means or what composition formula the coordinate points represent.

[0225] On the other hand, in this embodiment, a processed image 2 appropriate for the attributes of the composition list is generated and displayed. For example, if the composition list A is the composition list 1a of FIG. 3A , the processed image 2 includes the above-mentioned graph 60. If each composition formula shown in the composition list A is normalized, the composition coefficients of the elements Ga and In are complementarily replaced along the horizontal axis of this graph 60. Furthermore, along the vertical axis of the graph 60, the composition coefficients of the elements Li, Zr, and Hf decrease as the composition coefficients of the elements Ga and In increase. In other words, the graph 60 is a scatter plot using coordinate axes focusing on the composition coefficients of these elements. As a result, for example, coordinate points on the right side of the horizontal axis indicate composition formulas with a large composition coefficient of the element In and a small composition coefficient of the element Ga, while coordinate points on the left side indicate composition formulas with a small composition coefficient of the element In and a large composition coefficient of the element Ga. From this graph 60, it can be seen that at coordinate 0 on the horizontal axis, the composition formula contains equal amounts of the element In and the element Ga.

[0226] On the other hand, if composition list B is composition list 1b in FIG. 3B, composition list B shows multiple composition formulas with the element Fe as the main component. These composition formulas contain small amounts of various other elements. In this embodiment, processed image 2 including multiple graphs 64 is displayed for such composition list B. This processed image 2 is a scatter plot with coordinate axes focusing on each of the various elements (i.e., dopants) described above. This makes it easy to read the combinations of the various elements from processed image 2.

[0227] As described above, in this embodiment, an appropriate display method for the processed image 2 showing the composition list is determined according to the attributes of the composition list. This makes it easy to understand the composition list and appropriately supports material development. Meanwhile, since graphs 71 and 72 are not displayed according to the attributes of the composition list, it is difficult to easily understand the distribution of the composition formulas shown in the composition list from these graphs. In other words, even when handling large-scale data, this embodiment can automatically determine an appropriate display method for each large-scale data set and display the large-scale data set.

[0228] [Processing Flow of Information Processing Device 120] FIG. 12 is a flowchart showing an example of processing operations of the information processing device 120 in this embodiment.

[0229] (Step S10) First, the acquisition unit 123 acquires material information 1, which is a composition list 1, in response to, for example, a user's input operation on the input unit 110, and outputs the material information 1 to the attribute discrimination unit 124, the display method determination unit 125, and the output processing unit 126.

[0230] (Step S11) The attribute determining unit 124 obtains the material information 1 from the obtaining unit 123, and determines the attributes of the group to which the plurality of compounds belong, based on the plurality of compounds indicated in the material information 1. Then, the attribute determining unit 124 notifies the display method determining unit 125 of the determined attributes.

[0231] (Step S12) The display method determination unit 125 acquires the material information 1 output from the acquisition unit 123 and accepts the attribute notified from the attribute discrimination unit 124. Then, the display method determination unit 125 determines a display method of the material information 1 according to the attribute, using the material information 1. For example, if the attribute is the first attribute, the horizontal axis variable and the vertical axis variable are determined as the first display method, and if the attribute is the second attribute, at least one additional element is determined as the second display method.

[0232] (Step S13) The output processing unit 126 acquires the material information 1 output from the acquisition unit 123 and accepts the display method notified by the display method determination unit 125. Then, the output processing unit 126 generates a processed image 2 showing the material information 1 according to the notified display method. For example, if the notified display method is the first display method, a processed image 2 including a graph having an abscissa axis indicating the horizontal variable and an ordinate axis indicating the vertical variable is generated. On the other hand, if the notified display method is the second display method, a processed image 2 including one or more graphs each having a coordinate axis indicating the composition coefficient of an additional element is generated.

[0233] (Step S14) The output processing unit 126 outputs the generated processed image 2 as an image signal to, for example, the display unit 130. As a result, the processed image 2, in which the coordinate points of each of the multiple compounds are plotted, is displayed on the display unit 130.

[0234] 13A is a flowchart showing an example of the processing operation of the attribute determination unit 124 in this embodiment. That is, Fig. 13A is a flowchart showing in detail an example of the processing of step S11 in Fig. 12.

[0235] (Step S111) The attribute determining unit 124 normalizes one or more composition coefficients included in the composition formula of each of the compounds indicated in the material information 1.

[0236] (Step S112) Next, the attribute discriminator 124 performs principal component analysis on the plurality of normalized composition formulae.

[0237] (Step S113) Next, the attribute discriminator 124 determines whether the cumulative contribution ratios of the first to fourth principal components exceed 99%.

[0238] (Step S114) If the attribute discriminator 124 determines in step S113 that the cumulative contribution rate is 99% or less (No in step S113), it further determines whether the contribution rate of the first principal component is 1.5 times or more the contribution rate of the second principal component.

[0239] (Step S115) If the attribute discrimination unit 124 determines in step S113 that the cumulative contribution rate exceeds 99% (YES in step S113), it classifies the attribute of the group to which the multiple compounds indicated in the material information 1 belong as the first attribute.

[0240] (Step S116) Furthermore, if the attribute discriminator 124 determines in step S114 that the contribution rate of the first principal component is 1.5 times or more the contribution rate of the second principal component (YES in step S114), it classifies the attribute of the group to which the multiple compounds indicated in the material information 1 belong as the second attribute.

[0241] (Step S117) On the other hand, if the attribute discriminator 124 determines in step S114 that the contribution rate of the first principal component is less than 1.5 times the contribution rate of the second principal component (NO in step S114), it classifies the attribute of the group to which the multiple compounds indicated in the material information 1 belong as the third attribute.

[0242] 13B is a flowchart showing an example of the processing operation of the display method determination unit 125 in this embodiment. That is, Fig. 13B is a flowchart showing in detail an example of the processing of step S12 in Fig. 12.

[0243] (Step S121) The display method determination unit 125 determines whether the attribute determined by the attribute determination unit 124 is the first attribute, the second attribute, or the third attribute.

[0244] (Step S122) Then, when the attribute is determined to be the first attribute by the attribute determination unit 124, the display method determination unit 125 first obtains a first principal component from the result of the principal component analysis, extracts a plurality of elements from the first principal component using a norm, and discretizes each of the plurality of elements.

[0245] (Step S123) Next, the display method determination unit 125 determines an axis variable based on the discretized elements. This axis variable is a horizontal axis variable or a vertical axis variable. In this way, an axis variable based on the first principal component is determined.

[0246] The display method determination unit 125 also performs the processes of steps S122 and S123 for each of the second, third, and fourth principal components. As a result, axis variables based on the principal components are determined for each of the second, third, and third principal components. The first display method is determined by determining the axis variables in this way.

[0247] (Step S124) On the other hand, when the attribute discriminator 124 discriminates the attribute as the second attribute, the display method determiner 125 first acquires a first principal component from the result of the principal component analysis, and selects one or more first principal elements from the composition list 1 based on each element of the first principal component.

[0248] (Step S125) Next, the display method determination unit 125 selects, as second major elements, each of the elements in the composition list 1 whose average value of the composition coefficient is greater than 0 and whose variance is 0.

[0249] (Step S126) Next, the display method determination unit 125 determines each of one or more elements other than the first main element and the second main element from the composition list 1 as an additional element.

[0250] (Step S127) Then, the display method determination unit 125 determines, for each of the one or more additional elements, an axis variable indicating the composition coefficient of the additional element as a variable to be used for the coordinate axis of the graph included in the processed image 2. By determining the axis variable in this way, the second display method is determined.

[0251] (Step S128) Furthermore, when the attribute is determined to be the third attribute by the attribute determination unit 124, the display method determination unit 125 determines, for example, message information 2a in Fig. 10A. That is, display of the processed image 2 including the message information 2a is determined as the third display method.

[0252] [Degrees of Freedom] Here, the attribute determining unit 124 determines the attributes of the group to which the multiple compounds shown in the material information 1 belong according to the flowchart shown in FIG. 13A , but the attributes of the group may also be determined using the degrees of freedom. That is, the attribute determining unit 124 determines the attributes based on the degrees of freedom for the composition of the multiple compounds identified from the material information 1. Note that the degrees of freedom generally refer to the number of independently selectable variables among one or more variables, i.e., the total number of variables minus the number of relational expressions (e.g., constraints such as binding conditions and restraints) that hold between them. Such degrees of freedom can also be said to be the number of independent variables.

[0253] Specifically, the attribute discriminator 124 executes the processes of steps S111 and S112 in FIG. 13A. In step S112, the attribute discriminator 124 counts the number of all element types (e.g., g) included in the multiple composition formulas shown in material information 1. Then, for each of the multiple composition formulas shown in material information 1, the attribute discriminator 124 converts the composition formula into a vector consisting of the counted number of elements, i.e., g elements. The i-th element (i is an integer between 1 and g) included in the vector indicates the composition coefficient of the element corresponding to the i-th element. Next, the attribute discriminator 124 performs principal component analysis on these multiple vectors.

[0254] The attribute discriminator 124 performs principal component analysis on the plurality of vectors, i.e., principal component analysis on the plurality of compounds, to derive the number of principal components whose cumulative contribution ratio exceeds 99% as the degrees of freedom. That is, the attribute discriminator 124 derives n as the degrees of freedom when the cumulative contribution ratios of the first principal component to the (n-1)th principal component are 99% or less and the cumulative contribution ratios of the first principal component to the nth principal component are greater than 99%.

[0255] For example, as described above, when each composition formula is converted into a vector consisting of g elements, the degree of freedom represents the spread of points in the g-dimensional space indicated by those vectors, and corresponds to the number of independent variables. If the above-mentioned constraints do not exist between composition formulas, the numerical value of the constant multiplication factor for each composition coefficient included in the composition formula is meaningless, so the degree of freedom is (g-1). Specifically, if g=8, the degree of freedom is 7. Also, in the above-mentioned (Formula 1) "Li ２－３ａ－４ｂ (Ga １－ｘ In ｘ ) ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３ ", when there is a constraint between the composition formulas, the number corresponding to the constraint is further subtracted from g to calculate the degree of freedom. In other words, the degree of freedom is calculated by g-1 - (the number corresponding to the constraint). The degree of freedom calculated in this way corresponds to the number of principal components whose cumulative contribution rate exceeds 99%.

[0256] If the degree of freedom is equal to or less than the first threshold, the attribute discrimination unit 124 discriminates the first attribute as the attribute. If the degree of freedom is greater than the first threshold and equal to or less than the second threshold, the attribute discrimination unit 124 discriminates the second attribute as the attribute. The second threshold is greater than the first threshold. If the degree of freedom is greater than the second threshold, the attribute discrimination unit 124 discriminates the third attribute as the attribute. The first threshold and the second threshold are each an integer greater than or equal to 1, and the degree of freedom greater than the first threshold and equal to or less than the second threshold indicates the number of additive elements. For example, the first threshold is 4 and the second threshold is 10. In this case, the attribute discrimination unit 124 discriminates the first attribute as the attribute if the degree of freedom is 4 or less, discriminates the second attribute as the attribute if the degree of freedom is 5 to 10, and discriminates the third attribute as the attribute if the degree of freedom is 11 or more. Alternatively, the first threshold is 6 and the second threshold is 10. In this case, the attribute discrimination unit 124 discriminates the first attribute as the attribute if the degree of freedom is 6 or less, discriminates the second attribute as the attribute if the degree of freedom is 7 or more but 10 or less, and discriminates the third attribute as the attribute if the degree of freedom is 11 or more.

[0257] Here, when the degree of freedom is greater than the first threshold and less than or equal to the second threshold, the attribute discriminator 124 may further determine whether the contribution rate of the first principal component is 1.5 times or more than the contribution rate of the second principal component, as in step S114 of FIG. 13A . Then, when the attribute discriminator 124 determines that the contribution rate of the first principal component is 1.5 times or more than the contribution rate of the second principal component, the attribute discriminator 124 may discriminate the second attribute as the attribute. That is, when the degree of freedom is greater than the first threshold and less than or equal to the second threshold, and the contribution rate of the first principal component obtained by principal component analysis of multiple compounds is 1.5 times or more than the contribution rate of the second principal component, the attribute discriminator 124 may discriminate the third attribute as the attribute. In other words, if the attribute of a group is neither the first attribute nor the second attribute, the attribute discriminator 124 may discriminate the third attribute as the attribute of the group. However, if the third attribute is discriminated as the attribute when the contribution rate of the first principal component is less than 1.5 times the contribution rate of the second principal component, the degree of freedom is not substantially used in discriminating whether the attribute of the group is the second attribute or the third attribute. Therefore, if the degree of freedom is greater than the first threshold and equal to or less than the second threshold, and the contribution rate of the first principal component is less than 1.5 times the contribution rate of the second principal component, the attribute discriminator 124 may discriminate an attribute that is not the first attribute, the second attribute, or the third attribute as the attribute of the group.

[0258] Note that the determination of attributes using such degrees of freedom can be said to be a superordinate concept of the process shown in the flowchart of FIG. 13A.

[0259] In this way, when the attribute of the group is determined using the degree of freedom, the display method determination unit 125 determines the display method of the ingredient information 1 according to the attribute in accordance with the flowchart shown in FIG. 13B.

[0260] Furthermore, the display method determination unit 125 may determine, for each of the independent variables, the number of which corresponds to the degree of freedom, the coordinate axes indicating the independent variables as the coordinate axes of the processed image 2. In other words, the coordinate axes of the graph of the processed image 2 are determined. The output processing unit 126 generates and outputs the processed image 2 having the determined coordinate axes.

[0261] For example, if the first threshold is 4 and the second threshold is 10, the attribute discrimination unit 124 determines the degree of freedom to be 4 and determines the first attribute as the attribute of the group. In this case, the display method determination unit 125 may determine, as a display method for the material information 1 according to the first attribute, a display method according to, for example, a processed image 3 shown in FIG. 16B (described later), as a display method for the material information 1 according to the first attribute. The map included in the processed image 3 has four coordinate axes each representing a variable. That is, the display method determination unit 125 determines four independent variables according to the degree of freedom for the four coordinate axes A1 to A4. As a result, the output processing unit 126 generates the processed image 3 shown in FIG. 16B. Each of the four independent variables may represent a composition coefficient of an element included in the composition formula, or may represent one of the first to fourth principal components. Furthermore, at a coordinate point defined by the four coordinate axes A1 to A4, a characteristic value of a compound having a composition formula corresponding to the coordinate point may be represented by a color or a shade of the color.

[0262] Alternatively, if the first threshold is 6 and the second threshold is 10, the attribute discrimination unit 124 determines the degree of freedom to be 6 and then discriminates the first attribute as the attribute of the group. In this case, the display method determination unit 125 may determine, as a display method for the material information 1 according to the first attribute, a display method according to, for example, the processed image 3 shown in FIG. 18B (described later), as the display method for the material information 1 according to the first attribute. The map included in the processed image 3 has six coordinate axes each representing a variable. That is, the display method determination unit 125 determines six independent variables according to the degree of freedom for the six coordinate axes A1 to A6. As a result, the output processing unit 126 generates the processed image 3 shown in FIG. 18B. As in the above example, each of the six independent variables may represent a composition coefficient of an element included in the composition formula, or may represent one of the first to sixth principal components. Furthermore, at a coordinate point defined by the six coordinate axes A1 to A6, a characteristic value of a compound having a composition formula corresponding to that coordinate point may be represented by a color or a shade of the color.

[0263] [Effects of First Embodiment, etc.] As described above, the information processing device 120 in this embodiment determines the attributes of a group to which a plurality of compounds belong based on two or more elements in each of the plurality of compounds and the composition ratio of the two or more elements, and outputs material information 1 according to a display method corresponding to the attribute. Therefore, the two or more elements in each of the plurality of compounds and the composition ratio of the two or more elements can be output and displayed in a manner appropriate for the plurality of compounds. As a result, appropriate material information 1 can be automatically displayed, and the efficiency of material search for new materials from the plurality of compounds can be improved. In other words, material development can be appropriately supported.

[0264] In addition, when outputting material information 1, the information processing device 120 generates, for each of a plurality of compounds, a processed image 2 showing coordinates derived from at least one of two or more elements constituting the compound and the composition ratio of the two or more elements according to the above-mentioned display method, and outputs the processed image 2.

[0265] As a result, the coordinates of each of the multiple compounds are derived from at least one of the two or more elements constituting the compound and the composition ratio of the two or more elements, and a processed image 2 showing the coordinates of each of the multiple compounds is displayed. For example, the coordinates are displayed as coordinate points on a graph included in the processed image 2. Furthermore, the coordinates are derived according to the determined display method. Therefore, the distribution of the coordinate points of each of the multiple compounds can be displayed in an appropriate manner according to the attributes of the group to which the multiple compounds belong. As a result, for example, a searcher performing a material search can easily grasp the distribution of the multiple compounds from a bird's-eye view, thereby improving the efficiency of material search.

[0266] Furthermore, when each of a plurality of compounds contains an element having properties common to the plurality of compounds, the information processing device 120 may determine the first attribute as the attribute of the compound.

[0267] This allows the distribution of coordinate points of each of a plurality of compounds to be displayed in a manner suitable for cases where each of the compounds contains an element having properties common to the plurality of compounds, thereby enabling, for example, a material searcher to easily grasp the distribution of such a plurality of compounds from a bird's-eye view, thereby improving the efficiency of material searches.

[0268] Furthermore, the attribute determining unit 124 determines the attributes based on the degree of freedom for the composition of the plurality of compounds identified from the material information 1.

[0269] As a result, the attributes of the group to which the plurality of compounds belong are determined based on the distribution of the compounds in a space for expressing the compositions of the compounds, and material information 1 is output in accordance with a display method corresponding to the distribution. Therefore, two or more elements in each of the plurality of compounds and the composition ratios of the two or more elements can be displayed in an easy-to-understand manner from the perspective of the distribution of the plurality of compounds, thereby improving the efficiency of material search for new materials from a plurality of compounds.

[0270] In addition, the attribute discrimination unit 124 discriminates the first attribute as the attribute when the degree of freedom is equal to or less than the first threshold, discriminates the second attribute as the attribute when the degree of freedom is greater than the first threshold and equal to or less than the second threshold, and discriminates the third attribute as the attribute when the degree of freedom is greater than the second threshold.

[0271] As a result, the attribute of the group is classified into the first attribute, the second attribute, or the third attribute depending on the degree of freedom, and it is possible to determine an appropriate display method from the three types of display methods according to the distribution of multiple compounds.

[0272] Furthermore, the display method determination unit 125 determines, for each of the independent variables corresponding to the number of degrees of freedom, the coordinate axes representing the independent variables as the coordinate axes of the image.The output processing unit 126 then generates and outputs an image having the determined coordinate axes.

[0273] As a result, if the degree of freedom is four, for example, the coordinate axes representing the four independent variables are determined as the coordinate axes of the image showing the coordinates of each of the multiple compounds. Therefore, two or more elements in each of the multiple compounds and the composition ratios of the two or more elements can be displayed in an easy-to-understand manner using coordinate axes the number of which corresponds to the degree of freedom.

[0274] Furthermore, the attribute determining unit 124 derives the number of principal components whose cumulative contribution rate exceeds 99% as the degree of freedom through principal component analysis of a plurality of compounds.

[0275] This allows the degrees of freedom to be derived appropriately.

[0276] Furthermore, the attribute discrimination unit 124 discriminates the second attribute as an attribute when the degree of freedom is greater than the first threshold value and equal to or less than the second threshold value, and the contribution rate of the first principal component obtained by principal component analysis of a plurality of compounds is 1.5 times or more the contribution rate of the second principal component.

[0277] As a result, when the contribution rate of the first principal component is 1.5 times or more the contribution rate of the second principal component, the attribute of the group is determined to be the second attribute, and therefore the attribute of a group to which a plurality of compounds each containing a dopant belongs can be determined to be the second attribute. Therefore, the material information 1 can be displayed in an easy-to-understand manner according to a display method suitable for compounds containing dopants. In other words, the composition coefficient of the element corresponding to the dopant can be displayed in an easy-to-understand manner. Furthermore, the degree of freedom can be treated as the number of added elements.

[0278] Furthermore, if each of the plurality of compounds is a solid solution, the information processing device 120 determines the first attribute as the attribute thereof, if each of the plurality of compounds contains a dopant, the information processing device 120 determines the second attribute as the attribute thereof, and if each of the plurality of compounds is not a solid solution and does not contain a dopant, the information processing device 120 determines the third attribute as the attribute thereof.

[0279] As a result, if the multiple compounds are a solid solution, the material information 1 can be displayed in an easy-to-understand manner using a display method suitable for the solid solution. That is, the magnitude relationship or composition ratio of each of the two or more elements contained in the solid solution can be displayed in an easy-to-understand manner. Furthermore, if the multiple compounds contain a dopant, the material information 1 can be displayed in an easy-to-understand manner using a display method suitable for compounds containing a dopant. That is, the composition coefficient of the element corresponding to the dopant can be displayed in an easy-to-understand manner. Furthermore, if the multiple compounds are neither a solid solution nor contain a dopant, the material information 1 can be displayed in an error-informing manner, as in the example shown in FIG. 10A .

[0280] Furthermore, the information processing device 120 identifies one or more types of feature quantities for the plurality of compounds based on variations in the composition ratios of two or more elements contained in each of the plurality of compounds. If the one or more types of feature quantities satisfy a first condition, the information processing device 120 determines a first attribute as the attribute of the plurality of compounds, if the one or more types of feature quantities satisfy a second condition, the information processing device 120 determines a second attribute as the attribute of the plurality of compounds, and if the one or more types of feature quantities satisfy a third condition, the information processing device 120 determines a third attribute as the attribute of the plurality of compounds.

[0281] As a result, the attribute of a group to which a plurality of compounds belong is classified into a first attribute, a second attribute, or a third attribute based on the variation in the composition ratio of two or more elements. Therefore, the distribution of the coordinate points of each of the plurality of compounds can be displayed using an appropriate display method according to the tendency of the variation. In other words, when a plurality of compounds are used in a material search, the material search policy can be read from the material information 1, and the distribution of the coordinate points of each of the plurality of compounds can be displayed using a display method appropriate for that policy. As a result, the efficiency of material search can be improved.

[0282] Furthermore, the information processing device 120 performs principal component analysis on a plurality of compounds using normalized composition ratios of two or more elements, and determines the first attribute, the second attribute, or the third attribute as the above-mentioned attribute based on the results of the principal component analysis. If the first attribute or the second attribute is determined to be the above-mentioned attribute, the information processing device 120 determines the display method of the material information 1 by setting the coordinate axes indicating the variables obtained from the results of the principal component analysis as the coordinate axes of the processed image 2.

[0283] As a result, the attributes of a group to which multiple compounds belong are classified into a first attribute, a second attribute, or a third attribute based on the results of principal component analysis of the multiple compounds. As a result, the attributes can be appropriately classified. Furthermore, for example, if characteristic principal component analysis results are obtained for the first attribute or the second attribute, the coordinates of each of the multiple compounds are defined by coordinate axes indicating the variables obtained from the characteristic principal component analysis results. Therefore, for each of the first attribute and the second attribute, the distribution of coordinate points of each of the multiple compounds can be displayed using appropriate coordinate axes according to the results of the principal component analysis. Therefore, when multiple compounds are used in material discovery, the material discovery policy can be read from material information 1, and the distribution of coordinate points of each of the multiple compounds can be displayed using a display method appropriate for that policy. As a result, the efficiency of material discovery can be improved.

[0284] Furthermore, when the first attribute is determined, the information processing device 120 discretizes each of the one or more coefficients used in the nth principal component obtained by principal component analysis, and determines the coordinate axes indicating the variables expressed based on the one or more discretized coefficients as the coordinate axes of the processed image 2.

[0285] As a result, when the attribute of a group to which multiple compounds belong is the first attribute, for example, each of the one or more non-zero coefficients used in the nth principal component is discretized to -1 or 1. The variables used on the coordinate axes of the processed image 2 indicate, for example, the sum of the composition coefficients of one or more elements, each multiplied by -1 or 1. Therefore, in this case, the magnitude relationship and composition ratio of the composition coefficients of one or more elements contained in the compound can be easily determined from the coordinate points of the compound plotted along the coordinate axes. As a result, the efficiency of material search can be improved.

[0286] Furthermore, the information processing device 120 calculates a convex hull for each of the coordinates of a plurality of compounds, superimposes composition information indicating the composition of the compound corresponding to the vertex of the calculated convex hull on the processed image 2, and outputs the processed image 2 with the composition information superimposed. The composition information may be, for example, a composition formula.

[0287] This makes it possible to easily understand the distribution of coordinate points of each of the multiple compounds shown in processed image 2 and the compositions of those compounds from processed image 2. In other words, if composition information were superimposed on each of all the compounds, multiple pieces of composition information might overlap or coordinate points might be hidden by the composition information. In such cases, it would be difficult to understand the distribution of coordinate points and the compositions of the compounds. However, in this embodiment, composition information for compounds corresponding to the vertices of the convex hull is superimposed, and composition information for other compounds is not superimposed, thereby preventing overlapping of multiple pieces of composition information and the obscuring of coordinate points by composition information. As a result, it is possible to easily understand the distribution of coordinate points and the composition of each compound.

[0288] Furthermore, when the second attribute is determined, the information processing device 120 classifies the multiple elements contained in the multiple compounds into one or more first elements and one or more second elements based on one or more coefficients used in the first principal component obtained by principal component analysis. The information processing device 120 then identifies at least one element from the one or more second elements as an additive element. Furthermore, for each of the at least one additive element, the information processing device 120 determines coordinate axes representing the composition coefficient of the additive element as a variable as the coordinate axes of the processed image 2. Here, in the first principal component, the coefficients of each of the one or more second elements are smaller than the coefficients of each of the one or more first elements, and the variance of each composition coefficient of the at least one additive element is greater than zero. The first element is the first major element described above, and the second element is an element other than the first major element among the multiple elements. For example, the second element is an additive element or the second major element described above.

[0289] As a result, when the second attribute is determined for a plurality of compounds each containing an additive element such as a dopant, the coordinate points of each of the plurality of compounds are plotted on a graph having coordinate axes indicating the composition coefficient of the additive element. Therefore, the existence of a plurality of compounds whose composition coefficients of the additive element differ slightly from one another can be easily grasped from the processed image 2 or graph having the coordinate axes. As a result, the efficiency of material search can be improved.

[0290] In the above embodiment, the attribute determining unit 124 determines the attributes of a group including all of the compounds shown in the composition list 1 acquired by the acquiring unit 123. However, the attribute determining unit 124 may determine the attributes of a group including some, but not all, of the compounds shown in the composition list 1. For example, the attribute determining unit 124 may perform clustering on all of the compounds shown in the composition list 1 and determine the attributes of each of the resulting clusters.

[0291] In the above embodiment, the processed image 2 shows the composition list 1 using a graph with coordinate axes, but the composition list 1 may be shown in other forms using a table, a figure, text, etc. The output processing unit 126 may generate a processed image 2 showing the attributes determined by the attribute determination unit 124, or may generate a processed image 2 showing the coordinates calculated for each of the multiple compounds in a table format.

[0292] 3D , when the characteristic values ​​of each compound are associated with the composition formula of the compound, the output processing unit 126 may plot the coordinate points of the compound on the graph in a manner corresponding to the characteristic values ​​of the compound. For example, the output processing unit 126 may plot the coordinate points having a color or shape corresponding to the characteristic values.

[0293] Second Embodiment [Configuration of Information Processing System 100a] FIG. 14 is a diagram showing an example of the configuration of an information processing system 100a according to this embodiment.

[0294] The information processing system 100a of this embodiment acquires variable information related to a plurality of compounds and displays a processed image including a plurality of maps corresponding to the variable information. The plurality of maps indicate the properties of the plurality of compounds. For example, the information processing system 100a may be provided in a processing system 1000 instead of the information processing system 100 of the first embodiment.

[0295] Specifically, the information processing system 100a acquires variable information about a plurality of compounds in response to an input operation by a user of the information processing system 100a. The information processing system 100a then generates and displays a processed image in accordance with the variable information. Alternatively, the information processing system 100a may transmit the processed image as an image signal to the terminal system 500 via the communication network Nt, and cause the terminal system 500 to display the processed image.

[0296] Alternatively, the information processing system 100a acquires variable information from the terminal system 500 via the communication network Nt. Even when the information processing system 100a acquires variable information from the terminal system 500, the information processing system 100a generates a processed image according to the variable information, as described above. The information processing system 100a may display the processed image, or may cause the terminal system 500 to display the processed image.

[0297] Alternatively, when variable information is stored in the database 600, the information processing system 100a may read the variable information from the database 600 via the communication network Nt. Even when the information processing system 100a reads the variable information from the database 600, it generates a processed image according to the variable information, as described above. The information processing system 100a may display the processed image or may cause the terminal system 500 to display the processed image.

[0298] Such an information processing system 100 a includes an input unit 110 , an information processing device 120 a , and a display unit 130 .

[0299] The input unit 110 receives an input operation by a user of the information processing system 100a and outputs an input signal corresponding to the input operation to the information processing device 120a. The input unit 110 is configured as, for example, a keyboard, a touch sensor, a touch pad, or a mouse.

[0300] The information processing device 120a is a computer and includes a communication unit 121a, a control unit 122a, an acquisition unit 123a, a generation unit 127, and an output processing unit 126a.

[0301] The communication unit 121a has a communication function and communicates with the terminal system 500 and the database 600 via the communication network Nt. The communication by the communication unit 121a may be wireless communication or wired communication. The type of wireless communication is not particularly limited. The control unit 122a controls the communication unit 121a, the acquisition unit 123a, the generation unit 127, and the output processing unit 126a.

[0302] The acquiring unit 123a acquires an input signal from the input unit 110. Furthermore, the acquiring unit 123a acquires a communication signal from the terminal system 500 or the database 600 via the communication unit 121a. Here, the input signal or communication signal acquired by the acquiring unit 123a indicates variable information. The variable information is information about k variables (k is an integer of 3 or more and 6 or less) that determine the structure of the compound. That is, the acquiring unit 123a in this embodiment acquires variable information. Furthermore, the k variables that determine the structure of the compound are the k variables of the composition formula "Li ２－３ａ－４ｂ (M3 １－ｘ M3' ｘ ) ａ (M4 １－ｙ M4' ｙ ) １＋ｂ O ３ " are variables x, y, a, b, M3', M4', etc. included in ". The variable M3' indicates a homologous element, and the variable M4' indicates a homologous element. Note that M3 and M4 indicate predetermined elements. Therefore, it can be said that the attribute of a group including a plurality of compounds having a configuration determined by such k variables is the first attribute of the first embodiment. Therefore, it can be said that the information processing device 120a in this embodiment generates and displays a plurality of maps showing the properties of each of the plurality of compounds included in the group of the first attribute.

[0303] The generating unit 127 generates a processed image including an array map consisting of an array of multiple maps based on the variable information acquired by the acquiring unit 123a. The multiple maps indicate the properties of each of multiple compounds having a configuration determined by the above-mentioned k variables. The generating unit 127 generates a processed image including the array map by arranging the multiple maps.

[0304] The output processing unit 126a outputs the processed image generated by the generation unit 127 as an image signal. For example, the output processing unit 126a outputs the image signal to the display unit 130. Note that the output processing unit 126a may transmit the image signal as a communication signal to the terminal system 500 via the communication unit 121a.

[0305] The display unit 130 receives the image signal output from the output processing unit 126a of the information processing device 120a, and displays a processed image in accordance with the image signal.

[0306] Such an information processing device 120a may be configured, for example, by a processor such as a CPU, volatile memory, nonvolatile memory, and a program stored in the nonvolatile memory. In this case, the functional configuration of the information processing device 120a is realized by the processor executing the program.

[0307] [Processing Contents When k=3] (Processing of Acquiring Unit 123a) The acquiring unit 123a acquires, for example, variable information on three variables (that is, k=3) that determine the structure of a compound.

[0308] FIG. 15A is a diagram illustrating an example of variable information.

[0309] The variable information 4 is, for example, the composition formula “Li ２－３ａ (La １－ｘ Al ｘ ) ａ (Ti １－ｙ Zr ｙ ) O ３ " is information about three variables that determine the composition of a compound expressed by the formula "x, y, a." The three variables are a first variable x, a second variable y, and a third variable a, which are used to express the composition coefficients of each of the multiple elements contained in the compound. For example, when these variables are used to search for new materials or new compounds, these variables are also called search variables.

[0310] Such variable information 4 indicates the applicable ranges of the first variable x, the second variable y, and the third variable a, along with the composition formula. The applicable ranges are a set of one or more values ​​or a range of values ​​that the variables can take. For example, the applicable ranges of the first variable x and the second variable y are "0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0." The applicable range of the third variable a is "0.0, 0.05, 0.1, 0.15, 0.2."

[0311] Compositional formula “Li ２－３ａ (La１－ｘ Al ｘ ) ａ (Ti １－ｙ Zr ｙ ) O ３ The structure of the compound expressed by "x" is determined according to the combination of values ​​applied or substituted for the first variable x, the second variable y, and the third variable a.

[0312] (Processing of the Generation Unit 127) The generation unit 127 acquires characteristic values ​​of each of the multiple compounds having a configuration determined by the three variables. As in the first embodiment, the characteristic values ​​may be, for example, physical property values ​​such as the conductivity and density of the compound, predicted values ​​of the compound's characteristics obtained by machine learning, or calculated values ​​obtained by computational science. The generation unit 127 may acquire the characteristic values ​​stored in the database 600 via the communication unit 121a, or may acquire the characteristic values ​​from the terminal system 500 via the communication unit 121a. Furthermore, the generation unit 127 may acquire the characteristic values ​​in response to an input operation by a user to the input unit 110. The generation unit 127 then generates a processed image including an array map by arranging multiple maps indicating the characteristic values ​​of each of the multiple compounds.

[0313] FIG. 15B is a diagram showing an example of a processed image according to this embodiment.

[0314] As shown in FIG. 15B , the generation unit 127 generates an array map Mb1 consisting of multiple maps Ma, and generates a processed image 3 including the array map Mb1. Each of the multiple maps Ma has a first coordinate axis A1 indicating the first variable x and a second coordinate axis A2 indicating the second variable y. The number of maps Ma is equal to the number of possible values ​​of the third variable a. In the example of FIG. 15A , the number of possible values ​​of the third variable a is five. Therefore, the generation unit 127 generates five maps Ma. Each of these five maps Ma is associated with a value of the third variable a. The generation unit 127 arranges the five maps Ma along a third coordinate axis A3 parallel to the first coordinate axis A1. At this time, the generation unit 127 arranges the five maps Ma in descending order of the value of the third variable a corresponding to each map Ma. The generation unit 127 then maps the characteristic values ​​of the compound having the composition formula corresponding to the coordinates indicated by the values ​​of the first variable x, the second variable y, and the third variable a in the sequence map Mb1. The characteristic values ​​may be indicated, for example, by color or a shade of color. In this way, the sequence map Mb1 onto which the characteristic values ​​are mapped is generated.

[0315] As described above, in this embodiment, each of the multiple maps Ma generated by the generation unit 127 is represented by a first coordinate axis A1 indicating a first variable x included in the k variables and a second coordinate axis A2 indicating a second variable y included in the k variables. The multiple maps Ma included in the array map Mb1 are arranged according to a third variable a other than the first variable x and the second variable y among the k variables. Furthermore, the generation unit 127 generates a processed image 3 including the array map Mb1 by arranging the multiple maps Ma along a third coordinate axis A3 indicating the third variable a. The third coordinate axis A3 is parallel to the first coordinate axis A1. Note that the third coordinate axis A3 may also be parallel to the second coordinate axis A2. Furthermore, the first variable x, the second variable y, and the third variable a are variables that determine the composition coefficients of elements included in the compound. The number of maps Ma arranged along the third coordinate axis A3 by the generator 127 is the number of possible values ​​of the third variable a. The possible values ​​of the third variable a may be predetermined values ​​such as "0.0, 0.05, 0.1, 0.15, 0.2" shown in Fig. 15A, or may be values ​​arbitrarily specified by the user.

[0316] This makes it possible to generate a processed image 3 that appropriately shows information about multiple compounds, even if the composition ratio of one or more elements that have common properties among multiple compounds differs depending on the three variables.

[0317] [Processing Content 1 When k=4] (Processing of Acquiring Unit 123a) The acquiring unit 123a acquires, for example, variable information 4 relating to four variables (i.e., k=4) that determine the structure of a compound.

[0318] FIG. 16A is a diagram showing another example of the variable information 4.

[0319] The variable information 4 is, for example, the composition formula “Li ２－３ａ－４ｂ (La １－ｘ Al ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３" is information about four variables that determine the composition of a compound expressed by the formula "x, y, a, and a fourth variable b." The four variables are a first variable x, a second variable y, a third variable a, and a fourth variable b that represent the composition coefficients of each of the multiple elements contained in the compound. In other words, variable information 4 in FIG. 16A is information in which the fourth variable b is added as a search variable to variable information 4 in FIG. 15A.

[0320] Such variable information 4 indicates not only the first variable x, the second variable y, and the third variable a, but also the range of application of the fourth variable b, along with the composition formula. For example, the range of application of the fourth variable b is "0.0, 0.1, 0.2, 0.3."

[0321] Compositional formula “Li ２－３ａ－４ｂ (La １－ｘ Al ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３ The structure of the compound expressed by " is determined according to the combination of values ​​applied or substituted for the first variable x, the second variable y, the third variable a, and the fourth variable b.

[0322] (Processing of Generation Unit 127) The generation unit 127 acquires characteristic values ​​of each of a plurality of compounds having a configuration determined by the four variables. As described above, the generation unit 127 may acquire the characteristic values ​​from the database 600 or the terminal system 500, or may acquire the characteristic values ​​in response to an input operation by a user to the input unit 110. The generation unit 127 then generates a processed image 3 including an array map Mb1 by arranging a plurality of maps Ma indicating the characteristic values ​​of each of the plurality of compounds.

[0323] FIG. 16B is a diagram showing another example of processed image 3 in this embodiment.

[0324] As shown in FIG. 16B , the generation unit 127 generates an array map Mb1 consisting of multiple maps Ma, and generates a processed image 3 including the array map Mb1. As described above, each of the multiple maps Ma has a first coordinate axis A1 indicating the first variable x and a second coordinate axis A2 indicating the second variable y. The number of maps Ma is equal to the number of combinations of possible values ​​of the third variable a and the fourth variable b. In the example of FIG. 16A , the number of possible values ​​of the third variable a is 5, and the number of possible values ​​of the fourth variable b is 4. Therefore, the generation unit 127 generates 20 (i.e., 5 × 4) maps Ma. Each of these 20 maps Ma is associated with a respective value of the third variable a and the fourth variable b.

[0325] The generation unit 127 arranges five maps Ma along a third coordinate axis A3 parallel to the first coordinate axis A1. The generation unit 127 arranges the five maps Ma in descending order of the value of the third variable a corresponding to each map Ma. Furthermore, the generation unit 127 arranges the four maps Ma along a fourth coordinate axis A4 parallel to the second coordinate axis A2. The generation unit 127 arranges the four maps Ma in descending order of the value of the fourth variable b corresponding to each map Ma. As a result, 20 maps Ma are arranged in a matrix along the third coordinate axis A3 and the fourth coordinate axis A4 according to the third variable a and the fourth variable b. The generation unit 127 then maps the characteristic values ​​of the compound having the composition formula corresponding to the coordinates indicated by the values ​​of the first variable x, the second variable y, the third variable a, and the fourth variable b in the 20 maps Ma. This generates an array map Mb1 onto which the characteristic values ​​are mapped.

[0326] As described above, in this embodiment, the generation unit 127 generates a processed image 3 including an array map Mb1 by arranging multiple maps Ma along a third coordinate axis A3 indicating the third variable a and a fourth coordinate axis A4 indicating the fourth variable b. The fourth variable b is a variable other than the first variable x, the second variable y, and the third variable a among the k variables. The third coordinate axis A3 is parallel to the first coordinate axis A1, and the fourth coordinate axis A4 is parallel to the second coordinate axis A2.

[0327] Furthermore, the first variable x, the second variable y, the third variable a, and the fourth variable b are variables that determine the composition coefficients of the elements contained in the compound. The number of maps Ma arranged by the generation unit 127 along the third coordinate axis A3 is the number of possible values ​​for the third variable a, and the number of maps Ma arranged by the generation unit 127 along the fourth coordinate axis A4 is the number of possible values ​​for the fourth variable b. Note that the possible values ​​for the fourth variable b may be predetermined values ​​such as "0.0, 0.1, 0.2, 0.3" shown in FIG. 16A, or may be values ​​arbitrarily specified by the user.

[0328] This makes it possible to generate a processed image 3 that appropriately shows information about multiple compounds, even if the composition ratio of one or more elements that have common properties among multiple compounds differs depending on the four variables.

[0329] [Processing Content 2 When k=4] (Processing of Acquiring Unit 123a) The acquiring unit 123a may acquire information different from the variable information 4 shown in Fig. 16A, i.e., the variable information 4 shown in Fig. 16C. Like the variable information 4 shown in Fig. 16A, the variable information 4 shown in Fig. 16C is information about four variables (i.e., k=4) that determine the structure of a compound.

[0330] FIG. 16C is a diagram showing yet another example of variable information 4.

[0331] The variable information 4 is, for example, the composition formula “M1 (M2 １－ｘ―ｙ M2' ｘ M2'' ｙ The information is about four variables that determine the composition of a compound expressed by the formula (1). The four variables are a first variable x and a second variable y that represent the composition coefficients of each of the multiple elements contained in the compound, and a third variable M (M2, M2', M2'') and a fourth variable M1 that represent the multiple elements contained in the compound. The third variable M (M2, M2', M2'') is a variable formed by combining the variables M2, M2', and M2'', and hereinafter will also be simply referred to as the third variable M.

[0332] Such variable information 4 indicates, along with the composition formula, the applicable ranges of the first variable x and the second variable y, and the applicable ranges of the third variable M and the fourth variable M1. The applicable ranges of the first variable x and the second variable y are "0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0." However, the first variable x and the second variable y satisfy the condition x + y ≦ 1.

[0333] The applicable range of the third variable M is "Ge, Zn, Si, Cd, In." That is, the applicable range of the third variable M indicates that the variables M2, M2', and M2" can each take any of the element Ge, the element Zn, the element Si, the element Cd, and the element In. Note that the elements that the variables M2, M2', and M2" can take are different from one another. Therefore, the applicable range of the combination of the variables M2, M2', and M2" that constitutes the third variable M is "Ge-Zn-Si, Ge-Cd-Si, Ge-In-Si, Zn-Cd-Si, Zn-In-Si, Cd-In-Si, Zn-Cd-Ge, Zn-In-Ge, Cd-In-Ge, Cd-In-Zn." The applicable range of the fourth variable M1 is "Se, O, As, N." That is, the application range of the fourth variable M1 indicates that the fourth variable M1 can take the element Se, the element O, the element As, or the element N.

[0334] Compositional formula “M1 (M2 １－ｘ―ｙ M2' ｘ M2'' ｙ The structure of the compound represented by (x, y, M, M1) is determined according to the combination of values ​​or elements applied or substituted for the first variable x, the second variable y, the third variable M, and the fourth variable M1.

[0335] (Processing of Generation Unit 127) The generation unit 127 acquires characteristic values ​​of each of a plurality of compounds having a configuration determined by the four variables. As described above, the generation unit 127 may acquire the characteristic values ​​from the database 600 or the terminal system 500, or may acquire the characteristic values ​​in response to an input operation by a user to the input unit 110. Then, the generation unit 127 generates a processed image 3 including an array map Mb1 by arranging a plurality of maps Maa indicating the characteristic values ​​of each of the plurality of compounds.

[0336] FIG. 16D is a diagram showing yet another example of processed image 3 in this embodiment.

[0337] As shown in FIG. 16D , the generation unit 127 generates an array map Mb1 consisting of multiple maps Maa, and generates a processed image 3 including the array map Mb1. Each of the multiple maps Maa has a triangular shape and, as described above, has a first coordinate axis A1a indicating the first variable x and a second coordinate axis A2a indicating the second variable y. The number of maps Maa is equal to the number of combinations of element sets that the third variable M can take and elements that the fourth variable M1 can take. Note that the element sets that the third variable M can take are combinations of elements that the variables M2, M2′, and M2″ can take. In the example of FIG. 16C , the number of element sets that the third variable M can take is 10, and the number of elements that the fourth variable M1 can take is 4. Therefore, the generation unit 127 generates 40 maps Maa (i.e., 10 × 4). Each of these 40 maps Maa is associated with a respective element set or element of the third variable M and the fourth variable M1.

[0338] The generation unit 127 arranges ten maps Maa along a third coordinate axis A3 parallel to the first coordinate axis A1. Furthermore, the generation unit 127 arranges four maps Maa along a fourth coordinate axis A4 perpendicular to the third coordinate axis A3. As a result, forty maps Maa are arranged in a matrix along the third coordinate axis A3 and the fourth coordinate axis A4 according to the third variable M and the fourth variable M1. The generation unit 127 then maps characteristic values ​​of compounds having composition formulas corresponding to the coordinates indicated by the values, element sets, or elements of the first variable x, second variable y, third variable M, and fourth variable M1 in the forty maps Maa. This generates an array map Mb1 onto which the characteristic values ​​are mapped.

[0339] As described above, in this embodiment, the generation unit 127 generates a processed image 3 including an array map Mb1 by arranging a plurality of maps Maa along the third coordinate axis A3 indicating the third variable M and the fourth coordinate axis A4 indicating the fourth variable M1. The fourth variable M1 is a variable other than the first variable x, the second variable y, and the third variable M among the k variables. The third coordinate axis A3 is parallel to the first coordinate axis A1a, and the fourth coordinate axis A4 is perpendicular to the third coordinate axis A3.

[0340] Even when the composition formula is expressed by the four variables shown in FIG. 16C, a processed image 3 can be generated that appropriately displays information about multiple compounds.

[0341] [Processing Content 3 When k=4] Here, when the variable information 4 relating to four variables (i.e., k=4) is acquired by the acquisition unit 123a, the variable information 4 is ｐ D ｑ E ｒ ". In other words, the composition formula of each of the multiple compounds may be information about four variables that determine the composition of the compound represented by "A ｐ D ｑ E ｒ" where, in the composition formula, A represents at least one element, D is a third variable representing the element, and E is a fourth variable representing the element. p is a composition coefficient of at least one element represented by A, q is a first variable representing the composition coefficient of the element represented by D, and r is a second variable representing the composition coefficient of the element represented by E.

[0342] In this case, the number of maps Ma arranged by the generation unit 127 along the third coordinate axis A3 is the number of elements that the third variable D can take. The number of maps Ma arranged by the generation unit 127 along the fourth coordinate axis A4 is the number of elements that the fourth variable E can take. The elements that the third variable D and the fourth variable E can take may be predetermined elements, such as Ti, Mo, Mn, Al, Cr, Cu, V, Ni, and Nb. The elements that the third variable D and the fourth variable E can take may also be elements arbitrarily specified by the user.

[0343] That is, the number of maps Ma corresponding to the number of possible combinations of elements for the third variable D and the fourth variable E is arranged in a matrix along the third coordinate axis A3 and the fourth coordinate axis A4. Note that the first coordinate axis A1 in the map Ma indicates the first variable q, and the second coordinate axis A2 indicates the second variable r. The generating unit 127 generates the arrangement map Mb1 by arranging such a plurality of maps Ma in a matrix. Then, the generating unit 127 generates the arrangement map Mb1 by arranging the plurality of maps Ma in a matrix. ｐ D ｑ E ｒ For each of the compounds represented by the formula ", the characteristic values ​​of the compound are mapped to a position in the sequence map Mb1 according to the composition formula of the compound.

[0344] In addition, the composition formula "A ｐ D ｑ E ｒ " is the same as the (formula 2) "Fe １－ｘ―ｙ M ｘ M' ｙ". That is, A represents the element Fe. The variables D and E correspond to the variables M and M'. The variables p, q, and r correspond to "1-xy", x, and y, respectively. Therefore, when the variable information 4 is the composition formula "A ｐ D ｑ E ｒ ", it can be said that the information processing device 120a generates an array map Mb1 for a plurality of compounds belonging to a group of the second attribute. In other words, it can be said that the information processing device 120a generates an array map Mb1 for a plurality of compounds each containing an additive element such as a dopant. This makes it possible to display the characteristic values ​​of a plurality of compounds each containing an additive element such as a dopant in an easy-to-understand manner.

[0345] [Processing Contents When k=5] (Processing of Acquiring Unit 123a) The acquiring unit 123a acquires, for example, variable information 4 relating to five variables (that is, k=5) that determine the structure of a compound.

[0346] FIG. 17A is a diagram showing another example of the variable information 4.

[0347] The variable information 4 is, for example, the composition formula “Li ２－３ａ－４ｂ (La １－ｘ M3' ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３ " is information about five variables that determine the composition of a compound expressed by the formula "x, y, a, b." The five variables consist of a first variable x, a second variable y, a third variable a, and a fourth variable b that represent the composition coefficients of each of the multiple elements contained in the compound, and a fifth variable M3' that indicates the element contained in the compound. In other words, variable information 4 in FIG. 17A is information in which the fifth variable M3' is added as a search variable to variable information 4 in FIG. 16A.

[0348] Such variable information 4 indicates, together with the composition formula, not only the first variable x, the second variable y, the third variable a, and the fourth variable b, but also the application range of the fifth variable M3'. For example, the application range of the fifth variable M3' is not a set of one or more numerical values ​​or a numerical range, but a set of one or more types of elements that the fifth variable M3' can take. In a specific example, as shown in FIG. 17A , the application range of the fifth variable M3' indicates that the fifth variable M3' can take the element Al or the element In.

[0349] Compositional formula “Li ２－３ａ－４ｂ (La １－ｘ M3' ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３ The structure of the compound represented by " is determined according to the combination of values ​​or elements applied or substituted for the first variable x, the second variable y, the third variable a, the fourth variable b, and the fifth variable M3'.

[0350] (Processing of Generation Unit 127) The generation unit 127 acquires characteristic values ​​of each of a plurality of compounds having a configuration determined by the five variables. As described above, the generation unit 127 may acquire the characteristic values ​​from the database 600 or the terminal system 500, or may acquire the characteristic values ​​in response to an input operation by a user to the input unit 110. The generation unit 127 then generates a processed image 3 including an array map Mb1 by arranging a plurality of maps Ma indicating the characteristic values ​​of each of the plurality of compounds.

[0351] FIG. 17B is a diagram showing another example of processed image 3 in this embodiment.

[0352] As shown in FIG. 17B , the generation unit 127 generates two array maps Mb1, each consisting of a plurality of maps Ma, and generates a processed image 3 including a multi-array map Mb2 consisting of the two array maps Mb1. That is, the generation unit 127 generates the array maps Mb1 shown in FIG. 16B as many times as the number of elements that the fifth variable M3′ can take (i.e., two). In a specific example, as shown in FIG. 17B , the generation unit 127 generates an array map Mb1 corresponding to "fifth variable M3′ = element Al" and an array map Mb1 corresponding to "fifth variable M3′ = element In." The generation unit 127 then arranges the two array maps Mb1 along a fifth coordinate axis A5 that is parallel to the first coordinate axis A1 and the third coordinate axis A3. The fifth coordinate axis A5 is the axis used for the fifth variable M3′.

[0353] The generation unit 127 maps the characteristic values ​​of a compound having a composition formula corresponding to each coordinate in the two sequence maps Mb1. The coordinates are positions indicated by the values ​​or elements of the first variable x, second variable y, third variable a, fourth variable b, and fifth variable M3′ included in the composition formula of the compound. This generates a multi-sequence map Mb2 onto which the characteristic values ​​are mapped.

[0354] In this manner, in this embodiment, for each compound group identified by the fifth variable M3', the generation unit 127 generates an array map Mb1 for a plurality of compounds included in the compound group. For example, if there are two compound groups, one of the two compound groups is a plurality of compounds corresponding to "fifth variable M3' = element Al" and has the composition formula "Li ２－３ａ－４ｂ (La １－ｘ Al ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３ The other compound group of the two compound groups is a plurality of compounds corresponding to "fifth variable M3' = element In" and is represented by the composition formula "Li ２－３ａ－４ｂ (La １－ｘ In ｘ ) ａ (Ti １－ｙZr ｙ ) １＋ｂ O ３ " are multiple compounds represented by the formula:

[0355] The generation unit 127 then arranges multiple array maps Mb1 along a fifth coordinate axis A5 representing the fifth variable M3' to generate a processed image 3 including a multi-array map Mb2 composed of the multiple array maps Mb1. Here, the fifth variable M3' is a variable other than the first variable x, the second variable y, the third variable a, and the fourth variable b among the k variables. The fifth coordinate axis A5 is parallel to the third coordinate axis A3. The fifth coordinate axis A5 may also be parallel to the fourth coordinate axis A4. The fifth variable M3' indicates an element contained in the compound, and the number of array maps Mb1 arranged along the fifth coordinate axis A5 by the generation unit 127 is the number of elements that the fifth variable M3' can take. The elements that the fifth variable M3' can take may be predetermined elements, such as the elements Al and In shown in FIG. 17A, or may be elements arbitrarily specified by the user.

[0356] This makes it possible to generate a processed image 3 that appropriately shows information about multiple compounds, even if one or more elements that have common properties among multiple compounds and the composition ratio of those one or more elements differ depending on five variables.

[0357] [Processing Contents When k=6] (Processing of Acquiring Unit 123a) The acquiring unit 123a acquires, for example, variable information 4 relating to six variables (that is, k=6) that determine the structure of a compound.

[0358] FIG. 18A is a diagram showing another example of the variable information 4.

[0359] The variable information 4 is, for example, the composition formula “Li ２－３ａ－４ｂ (M3 １－ｘ M3' ｘ ) ａ (M4 １－ｙ M4' ｙ ) １＋ｂ O ３ " is information about six variables that determine the composition of a compound represented by the composition formula "Li ２－３ａ－４ｂ (M3１－ｘ M3' ｘ ) ａ (M4 １－ｙ M4' ｙ ) １＋ｂ O ３ " M3 and M4 represent, for example, the element La and the element Ti, respectively. The six variables consist of a first variable x, a second variable y, a third variable a, and a fourth variable b for expressing the composition coefficients of each of the multiple elements contained in the compound, and a fifth variable M3' and a sixth variable M4' that indicate the elements contained in the compound. In other words, variable information 4 in FIG. 18A is information in which the sixth variable M4' is added as a search variable to variable information 4 in FIG. 17A.

[0360] Such variable information 4 indicates, together with the composition formula, not only the first variable x, the second variable y, the third variable a, the fourth variable b, and the fifth variable M3', but also the range of application of the sixth variable M4'. For example, like the fifth variable M3', the range of application of the sixth variable M4' is a set of one or more types of elements that the sixth variable M4' can take. In a specific example, as shown in FIG. 18A , the range of application of the sixth variable M4' indicates that the sixth variable M4' can take the element Zr or the element Hf.

[0361] Compositional formula “Li ２－３ａ－４ｂ (M3 １－ｘ M3' ｘ ) ａ (M4 １－ｙ M4' ｙ ) １＋ｂ O ３ The structure of the compound represented by " is determined according to the combination of values ​​or elements applied to or substituted for the first variable x, the second variable y, the third variable a, the fourth variable b, the fifth variable M3', and the sixth variable M4'.

[0362] (Processing of Generation Unit 127) The generation unit 127 acquires characteristic values ​​of each of a plurality of compounds having a configuration determined by the six variables. As described above, the generation unit 127 may acquire the characteristic values ​​from the database 600 or the terminal system 500, or may acquire the characteristic values ​​in response to an input operation by a user to the input unit 110. The generation unit 127 then generates a processed image 3 including an array map Mb1 by arranging a plurality of maps Ma indicating the characteristic values ​​of each of the plurality of compounds.

[0363] FIG. 18B is a diagram showing another example of processed image 3 in this embodiment.

[0364] 18B, the generation unit 127 generates four array maps Mb1 each consisting of a plurality of maps Ma, and generates a processed image 3 including a multi-array map Mb2 consisting of the four array maps Mb1. That is, the generation unit 127 generates array maps Mb1 shown in FIG. 16B as many times as the number of combinations of elements that can be taken by each of the fifth variable M3' and the sixth variable M4' (i.e., 2 × 2). 18B , the generation unit 127 generates an array map Mb1 corresponding to the combination of “fifth variable M3′=element Al” and “sixth variable M4′=element Hf,” an array map Mb1 corresponding to the combination of “fifth variable M3′=element Al” and “sixth variable M4′=element Zr,” an array map Mb1 corresponding to the combination of “fifth variable M3′=element In” and “sixth variable M4′=element Hf,” and an array map Mb1 corresponding to the combination of “fifth variable M3′=element In” and “sixth variable M4′=element Zr.” Then, the generation unit 127 arranges the four array maps Mb1 along a fifth coordinate axis A5 parallel to each of the first coordinate axis A1 and the third coordinate axis A3, and a sixth coordinate axis A6 parallel to each of the second coordinate axis A2 and the fourth coordinate axis A4. The fifth coordinate axis A5 is the axis used for the fifth variable M3', and the sixth coordinate axis A6 is the axis used for the sixth variable M4'.

[0365] The generation unit 127 maps the characteristic values ​​of a compound having a composition formula corresponding to each coordinate in the four sequence maps Mb1. The coordinates are positions indicated by the values ​​or elements of the first variable x, second variable y, third variable a, fourth variable b, fifth variable M3', and sixth variable M4' included in the composition formula of the compound. This generates a multi-sequence map Mb2 onto which the characteristic values ​​are mapped.

[0366] In this manner, in this embodiment, for each compound group identified by the fifth variable M3' and the sixth variable M4', the generation unit 127 generates an array map Mb1 for a plurality of compounds included in the compound group. For example, if there are four compound groups, the first compound group among the four compound groups is a plurality of compounds corresponding to the combination of "fifth variable M3' = element Al" and "sixth variable M4' = element Hf", and has the composition formula "Li ２－３ａ－４ｂ (La １－ｘ Al ｘ ) ａ (Ti １－ｙ Hf ｙ ) １＋ｂ O ３ The second compound group is a plurality of compounds corresponding to the combination of "fifth variable M3' = element Al" and "sixth variable M4' = element Zr", and is represented by the composition formula "Li ２－３ａ－４ｂ (La １－ｘ Al ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３ The third compound group is a plurality of compounds corresponding to the combination of "fifth variable M3' = element In" and "sixth variable M4' = element Hf", and is represented by the composition formula "Li ２－３ａ－４ｂ (La １－ｘ In ｘ ) ａ (Ti １－ｙ Hf ｙ ) １＋ｂ O ３The fourth compound group is a plurality of compounds corresponding to the combination of "fifth variable M3' = element In" and "sixth variable M4' = element Zr", and is represented by the composition formula "Li ２－３ａ－４ｂ (La １－ｘ In ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O ３ " are multiple compounds represented by the formula:

[0367] The generation unit 127 then arranges four array maps Mb1 along a fifth coordinate axis A5 representing the fifth variable M3' and a sixth coordinate axis A6 representing the sixth variable M4', thereby generating a processed image 3 including a multi-array map Mb2 consisting of the four array maps Mb1. The fifth variable M3' is one of two variables other than the first variable x to the fourth variable b among the k (i.e., six) variables, and the sixth variable M4' is the other of the two variables other than the first variable x to the fourth variable b among the k (i.e., six) variables. The fifth coordinate axis A5 is parallel to the third coordinate axis A3, and the sixth coordinate axis A6 is parallel to the fourth coordinate axis A4. Conversely, the fifth coordinate axis A5 may be parallel to the fourth coordinate axis A4, and the sixth coordinate axis A6 may be parallel to the third coordinate axis A3.

[0368] Furthermore, the fifth variable M3' indicates an element contained in the compound, and the sixth variable M4' indicates an element contained in the compound that is different from the element indicated by the fifth variable M3'. The number of array maps Mb1 arranged along the fifth coordinate axis A5 by the generation unit 127 is the number of elements that the fifth variable M3' can take. The number of array maps Mb1 arranged along the sixth coordinate axis A6 by the generation unit 127 is the number of elements that the sixth variable M4' can take. Note that the elements that the sixth variable M4' can take may be predetermined elements such as the element Zr and the element Hf shown in FIG. 18A, or may be elements arbitrarily specified by the user.

[0369] This makes it possible to generate a processed image 3 that appropriately shows information about multiple compounds, even if one or more elements that have common properties among multiple compounds and the composition ratio of those one or more elements differ depending on five variables.

[0370] [Processing Flow of Information Processing Device 120a] FIG. 19 is a flowchart showing an example of the processing operation of the information processing device 120a in this embodiment.

[0371] (Step S21 ) First, the acquiring unit 123 a acquires variable information 4 in response to, for example, an input operation by the user to the input unit 110 , and outputs the variable information 4 to the generating unit 127 .

[0372] (Step S22) The generating unit 127 acquires the variable information 4 from the acquiring unit 123a, and generates a sequence map Mb1 consisting of sequences of multiple maps Ma based on the variable information 4. At this time, the generating unit 127 maps, onto the sequence map Mb1, the characteristic values ​​of each of multiple compounds having a configuration determined by the k variables included in the variable information 4. As a result, the generating unit 127 generates a processed image 3 including the sequence map Mb1 onto which the characteristic values ​​are mapped.

[0373] (Step S23) The output processing unit 126a outputs the processed image 3 as an image signal to the display unit 130. As a result, the processed image 3 is displayed on the display unit 130.

[0374] [Effects of Second Embodiment, etc.] As described above, the information processing device 120a in this embodiment generates and outputs a processed image 3 including an array map Mb1 consisting of an array of the maps Ma by arranging the maps Ma, which indicate information on each of the multiple compounds having structures determined by k variables, based on variable information 4 related to the k variables. For example, when k=3, the map Ma is represented by a first coordinate axis A1 indicating the first variable x and a second coordinate axis A2 indicating the second variable y. The multiple maps Ma are then arranged according to the third variable a.

[0375] As a result, in the multiple maps Ma, information on compounds having structures determined by the first variable x, the second variable y, and the third variable a is mapped at positions corresponding to these three variables. The information on the compounds is, for example, the characteristic values ​​of the compounds. Therefore, from these multiple maps Ma, the characteristic values ​​of multiple compounds having structures determined by the three variables can be easily ascertained. As a result, the efficiency of material search can be improved, and material development can be appropriately supported.

[0376] The information processing device 120a also generates a processed image 3 including an array map Mb1 by arranging the maps Ma along a third coordinate axis A3 indicating a third variable a. The third coordinate axis A3 is parallel to the first coordinate axis A1 or the second coordinate axis A2.

[0377] As a result, a plurality of maps Ma classified according to the third variable a are displayed arranged along the direction of the first coordinate axis A1 or the second coordinate axis A2. Therefore, it is possible to easily find the map Ma corresponding to the third variable a, and further, to easily grasp information about a compound having a structure determined by the first variable x, the second variable y, and the third variable a from that map Ma.

[0378] The first variable x, the second variable y, and the third variable a are variables that determine the composition coefficients of the elements contained in the compound, and the number of maps Ma arranged along the third coordinate axis A3 is the number of predetermined values ​​that the third variable a can take.

[0379] As a result, since each of the first variable x, the second variable y, and the third variable a is a variable that determines the composition coefficient of an element contained in a compound, information on a plurality of compounds having composition coefficients determined by these three variables can be easily obtained from the plurality of maps Ma.

[0380] Furthermore, when k=4, the information processing device 120a generates a processed image 3 including an array map Mb1 by arranging a plurality of maps Ma along a third coordinate axis A3 representing the third variable a and a fourth coordinate axis A4 representing the fourth variable b. Here, the third coordinate axis A3 is parallel to the first coordinate axis A1, and the fourth coordinate axis A4 is parallel to the second coordinate axis A2.

[0381] As a result, a plurality of maps Ma classified according to the third variable a and the fourth variable b are displayed arranged, for example, in a matrix along the directions of the first coordinate axis A1 and the second coordinate axis A2. Therefore, it is possible to easily find the map Ma corresponding to the third variable a and the fourth variable b, and further to easily grasp information about compounds having structures determined by the first variable x to the fourth variable b from the map Ma.

[0382] Furthermore, each of the first variable x to the fourth variable b is a variable that determines the composition coefficient of an element contained in the compound. The number of maps Ma arranged along the third coordinate axis A3 is the number of predetermined values ​​that the third variable a can take, and the number of maps Ma arranged along the fourth coordinate axis A4 is the number of predetermined values ​​that the fourth variable b can take. The order of the arrangement may be sorted by a feature amount corresponding to the element. Examples of the feature amount include atomic weight, period, and group. Alternatively, the order may be determined by a sorting method specified by the user.

[0383] As a result, since each of the first variable x to the fourth variable b is a variable that determines the composition coefficient of an element contained in a compound, it is possible to easily grasp, from the multiple maps Ma, the characteristic values ​​of multiple compounds having composition coefficients determined by these four variables.

[0384] Furthermore, when k=4, the composition formula of each of the multiple compounds may be expressed as "ApDqEr," where A represents at least one element, D is a third variable representing the element, E is a fourth variable representing the element, and p is a composition coefficient. q is a first variable representing the composition coefficient of the element represented by D, and r is a second variable representing the composition coefficient of the element represented by E. Here, the number of maps Ma arranged along the third coordinate axis A3 is the number of predetermined elements that the third variable can take, and the number of maps Ma arranged along the fourth coordinate axis A4 is the number of predetermined elements that the fourth variable can take.

[0385] As a result, the first variable q and the second variable r are variables that determine the composition coefficients of the elements contained in the compound, and the third variable D and the fourth variable E are variables that determine the elements contained in the compound. Therefore, it is possible to arrange, for example, in a matrix form, maps Ma corresponding to the number of possible combinations of elements for each of the third variable D and the fourth variable E. It is then possible to easily find a map Ma corresponding to the combination of elements determined by each of the third variable D and the fourth variable E. Furthermore, it is possible to easily grasp information about a compound having a composition determined by the first variable q to the fourth variable E from the map Ma.

[0386] Furthermore, when k=5, the information processing device 120a generates, for each compound group identified by the fifth variable M3', an array map Mb1 for multiple compounds included in the compound group. Furthermore, the information processing device 120a generates a processed image 3 including a multi-array map Mb2 made up of the multiple array maps Mb1 by arranging the multiple array maps Mb1 along a fifth coordinate axis A5 representing the fifth variable M3'. The fifth coordinate axis A5 is parallel to one of the third coordinate axis A3 and the fourth coordinate axis A4.

[0387] As a result, a plurality of sequence maps Mb1 classified according to the fifth variable M3' are displayed arranged along the direction of the first coordinate axis A1 or the second coordinate axis A2, i.e., along the direction of the third coordinate axis A3 or the fourth coordinate axis A4. Therefore, the sequence map Mb1 corresponding to the fifth variable M3' can be easily found, and further, information on the compound having a structure determined by the first variable x to the fifth variable M3' can be easily grasped from the sequence map Mb1.

[0388] Furthermore, the fifth variable M3' indicates the elements contained in the compound, and the number of arrangement maps Mb1 arranged along the fifth coordinate axis A5 is the number of predetermined elements that the fifth variable M3' can take.

[0389] As a result, since the fifth variable M3' is a variable that determines the elements contained in the compound, it is possible to easily find, from the plurality of sequence maps Mb1, sequence maps Mb1 that correspond to a plurality of compounds each having an element determined by the fifth variable M3'. Furthermore, from the sequence map Mb1, it is possible to easily grasp information about the compound having a structure determined by the first variable x to the fifth variable M3'.

[0390] Furthermore, when k = 6, the information processing device 120a generates an array map Mb1 for each compound group identified by the fifth variable M3' and the sixth variable M4' for multiple compounds included in the compound group. The information processing device 120a then generates a processed image 3 including a multi-array map Mb2 consisting of the multiple array maps Mb1 by arranging the multiple array maps Mb1 along a fifth coordinate axis A5 representing the fifth variable M3' and a sixth coordinate axis A6 representing the sixth variable M4'. The fifth coordinate axis A5 is parallel to one of the third coordinate axis A3 and the fourth coordinate axis A4, and the sixth coordinate axis A6 is parallel to the other of the third coordinate axis A3 and the fourth coordinate axis A4.

[0391] As a result, a plurality of sequence maps Mb1 classified according to the fifth variable M3' and the sixth variable M4' are displayed arranged, for example, in a matrix along the directions of the first coordinate axis A1 and the second coordinate axis A2, i.e., along the directions of the third coordinate axis A3 and the fourth coordinate axis A4. Therefore, the sequence maps Mb1 corresponding to the fifth variable M3' and the sixth variable M4' can be easily found, and further, information on compounds having structures determined by the first variable x to the sixth variable M4' can be easily grasped from the sequence maps Mb1.

[0392] The fifth variable M3′ and the sixth variable M4′ each represent an element contained in the compound. The number of array maps Mb1 arranged along the fifth coordinate axis A5 is the number of predetermined elements that the fifth variable M3′ can take, and the number of array maps Mb1 arranged along the sixth coordinate axis A6 is the number of predetermined elements that the sixth variable M4′ can take.

[0393] As a result, since the fifth variable M3' and the sixth variable M4' are variables that determine the elements contained in the compound, it is possible to easily find, from the plurality of sequence maps Mb1, sequence maps Mb1 that correspond to a plurality of compounds that respectively have the element of the fifth variable M3' and the element of the sixth variable M4'. Furthermore, from the sequence map Mb1, it is possible to easily grasp information about compounds that have a structure determined by the first variable x to the sixth variable M4'.

[0394] <Other Aspects> Various information processing devices according to the present disclosure have been described above based on Embodiments 1 and 2. However, the present disclosure is not limited to these embodiments. As long as they do not deviate from the spirit of the present disclosure, various modifications conceivable by a person skilled in the art to Embodiments 1 and 2, and configurations constructed by combining components of different embodiments, are also included within the scope of the present disclosure.

[0395] For example, in the first embodiment, the information processing device 120 displays a processed image 2 including a graph having coordinate axes determined according to the attributes and plotting coordinate points of each compound, but the graph may also be superimposed with characteristic values ​​as in the second embodiment. That is, characteristic values ​​expressed by color or color shading may be superimposed on each coordinate shown in the graph.

[0396] Furthermore, the multiple graphs generated in the first embodiment may be arranged and displayed as in the second embodiment using coordinate axes or variables that are not used in those graphs.

[0397] In the first embodiment, the axis variables to be used for the coordinate axes (i.e., the horizontal axis variable or the vertical axis variable) are determined, and a graph having those coordinate axes is generated, but the correspondence between the axis variables and the coordinate axes may be determined in advance. That is, the axis variable based on the first principal component may be used for the horizontal axis, and the axis variable based on the second principal component may be used for the vertical axis.

[0398] In the second embodiment, the information processing device 120a acquires variable information 4. This variable information 4 is information about k variables that determine the structure of a compound. Therefore, the variable information 4 can also be said to be information about a plurality of compounds, and is information indicating, for each of the plurality of compounds, two or more elements that constitute the compound and the composition ratio of the two or more elements. Furthermore, in the second embodiment, the information processing device 120a generates a processed image 3 including an array map Mb1 by arranging, based on the variable information 4, a plurality of maps Ma that indicate information about each of a plurality of compounds having a structure determined by k variables. At this time, the information processing device 120a determines the attribute of the group to which the plurality of compounds belong by specifying the number k based on the variable information 4. In other words, the information processing device 120a determines whether the attribute of the group to which the plurality of compounds belong is the attribute k=3, the attribute k=4, the attribute k=5, or the attribute k=6. Then, the information processing device 120a determines a display method for the variable information 4 according to the determined attribute, and outputs the variable information 4 according to the determined display method. The display method for the variable information 4 is, for example, the arrangement of multiple maps Ma.

[0399] Therefore, like the information processing device 120 in the first embodiment, the information processing device 120a in the second embodiment also acquires variable information 4 as material information 1, determines the attributes of the group to which a plurality of compounds belong based on the material information 1, determines a display method for the material information 1 in accordance with the determined attributes, and outputs the material information 1 in accordance with the determined display method.

[0400] Furthermore, the information processing device in each of the above embodiments is a part of the information processing system and the processing system 1000, but may include all of the components of the information processing system or the processing system 1000. For example, the information processing device 120 shown in FIG. 2A may include an input unit 110 and a display unit 130. The information processing device may also include multiple processors. The information processing device may also be configured as a single computer device, or may be composed of multiple computer devices connected to each other so that they can communicate with each other. In other words, the multiple components included in the information processing device in each of the above embodiments may not be provided in a single, identical device, but may be distributed and arranged in different devices.

[0401] Furthermore, in each of the above embodiments, each component may be configured with dedicated hardware, or may be realized by executing a software program appropriate for each component. Each component may be realized by a program execution unit such as a CPU or processor reading and executing a software program recorded on a recording medium such as a hard disk or semiconductor memory. Here, a program realizing the information processing device of each of the above embodiments may cause a processor to execute each step included in at least one of the flowcharts of Figures 12, 13A, 13B, and 19, for example.

[0402] (Hardware Configuration) The processing system 1000 may be specifically configured as a computer system including a microprocessor, ROM, RAM, a hard disk drive, a display unit, a keyboard, a mouse, etc. A program is stored in the RAM or the hard disk drive. The processing system 1000 achieves its functions by the microprocessor operating in accordance with the program. Here, the program is configured by combining multiple instruction codes that indicate commands to the computer to achieve a predetermined function.

[0403] Furthermore, some or all of the components constituting the processing system 1000 may be configured as a single system LSI (Large Scale Integration). A system LSI is an ultra-multifunctional LSI manufactured by integrating multiple components on a single chip, and specifically, is a computer system configured to include a microprocessor, ROM, RAM, etc. A computer program is stored in the RAM. The system LSI achieves its functions when the microprocessor operates in accordance with the computer program.

[0404] Furthermore, some or all of the components constituting the processing system 1000 may be configured as an IC card or a standalone module that can be attached to or detached from a computer. The IC card or module is a computer system configured with a microprocessor, ROM, RAM, etc. The IC card or module may include the ultra-multifunctional LSI described above. The IC card or module achieves its functions when the microprocessor operates according to a computer program. This IC card or module may be tamper-resistant.

[0405] The present disclosure may also be considered as an information processing method executed by the above-described processing system 1000. This information processing method may also be realized by a computer executing a program, or may be realized by a digital signal comprising the program.

[0406] Furthermore, the present disclosure may be configured as a program or digital signal stored on a computer-readable non-transitory recording medium. Examples of such recording media include flexible disks, hard disks, CD-ROMs, MOs, DVDs, DVD-ROMs, DVD-RAMs, BDs (Blu-ray (registered trademark) Discs), and semiconductor memories. The program may also be configured as the digital signal stored on the non-transitory recording medium.

[0407] The present disclosure may also be configured by transmitting the above program or digital signal via a telecommunications line, a wireless or wired communication line, a network such as the Internet, or data broadcasting.

[0408] The present disclosure may also be a computer system including a microprocessor and a memory, the memory storing a program, and the microprocessor operating in accordance with the program.

[0409] The program or digital signal may also be implemented by another independent computer system by recording it on the non-transitory recording medium and transferring it, or by transferring the program or digital signal via the network or the like.

[0410] Furthermore, the processing system 1000 may be configured with a server and a terminal carried by a user that is connected to the server via a network.

[0411] The present disclosure has the effect of being able to display information about a plurality of compounds in an easy-to-understand manner, and is useful in devices and systems for material development, etc.

[0412] 1 Material information (composition list) 1a to 1d Composition list 2, 3 Processed image 2a Message information 2b Principal component analysis result 2c, 2d Processed image for first attribute 2e Processed image for second attribute 4 Variable information 60 to 67, 71, 72 Graph 100, 100a Information processing system 110, 510 Input unit 120, 120a Information processing device 121, 121a, 521 Communication unit 122, 122a, 522 Control unit 123, 123a, 523 Acquisition unit 124 Attribute discrimination unit 125 Display method determination unit 126, 126a, 526 Output processing unit 127 Generation unit 130, 530 Display unit 500 Terminal system 520 Terminal device 600 Database 1000 Processing system Nt Communication network

Claims

1. acquiring, for each of the plurality of compounds, material information relating to two or more elements constituting the compound and the composition ratio of the two or more elements in the compound; determining attributes of a group to which the plurality of compounds belong based on the material information; determining an axis variable in response to the determined attribute; and performing an output process to output a graph having coordinate axes indicating the axis variables. Information processing methods.

2. In determining the axis variables, determining the axis variable for each of the plurality of compounds from at least one of the two or more elements constituting the compound and a composition ratio of the two or more elements in the compound; In the execution of the output process, generating an image showing the graph and outputting the image, thereby performing the output process; The information processing method according to claim 1 .

3. In determining the attribute, determining the attribute based on the degree of freedom for the composition of the plurality of compounds identified from the material information; The information processing method according to claim 2 .

4. In determining the attribute, If the degree of freedom is equal to or less than a first threshold, a first attribute is determined as the attribute; If the degree of freedom is greater than the first threshold and equal to or less than a second threshold, a second attribute is determined as the attribute; If the degree of freedom is greater than the second threshold, a third attribute is determined as the attribute; The second threshold is greater than the first threshold. The information processing method according to claim 3 .

5. In determining the axis variables, determining, for each of the independent variables, the number of which corresponds to the degrees of freedom, a coordinate axis indicating the independent variable as a coordinate axis of the image showing the graph; The information processing method according to claim 3 .

6. The information processing method further comprises: deriving, as the degrees of freedom, the number of principal components having a cumulative contribution rate of more than 99% by principal component analysis of the plurality of compounds; The information processing method according to claim 3 .

7. In determining the attribute, determining the second attribute as the attribute when the degree of freedom is greater than the first threshold value and equal to or less than the second threshold value, and when a contribution rate of a first principal component obtained by principal component analysis of the plurality of compounds is 1.5 times or more of a contribution rate of a second principal component; The information processing method according to claim 4.

8. In determining the attribute, When each of the plurality of compounds is a solid solution, determining a first attribute as the attribute; If each of the plurality of compounds contains a dopant, determining a second attribute as the attribute; If each of the plurality of compounds is not a solid solution and does not contain a dopant, a third attribute is determined as the attribute. The information processing method according to claim 2 .

9. In determining the attribute, identifying one or more characteristic quantities for the plurality of compounds based on variations in the composition ratios of the two or more elements contained in each of the plurality of compounds; If the one or more feature amounts satisfy a first condition, a first attribute is determined as the attribute; If the one or more feature amounts satisfy a second condition, a second attribute is determined as the attribute; If the one or more feature amounts satisfy a third condition, a third attribute is determined as the attribute. The information processing method according to claim 2 .

10. In the execution of the output process, calculating a convex hull for each coordinate of the plurality of compounds; superimposing composition information indicating the compositions of compounds corresponding to the calculated vertices of the convex hull on the graph; outputting an image showing the graph on which the composition information is superimposed; The information processing method according to claim 2 .

11. Obtain variable information regarding k variables (k is an integer of 3 or more and 6 or less) used to express the structure of the compound; generating an image including an array map consisting of an array of the plurality of maps by arranging a plurality of maps showing information on each of a plurality of compounds having a structure represented by the k variables based on the variable information; outputting the image; each of the plurality of maps is represented by a first coordinate axis indicating a first variable included in the k variables and a second coordinate axis indicating a second variable included in the k variables; the plurality of maps included in the array map are arranged according to a third variable other than the first variable and the second variable among the k variables; Information processing methods.

12. In generating the image, generating an image including the alignment maps by arranging the plurality of maps along a third coordinate axis representing the third variable; the third coordinate axis is parallel to the first coordinate axis or the second coordinate axis; The information processing method according to claim 11.

13. each of the first variable, the second variable, and the third variable is a variable used to express a composition coefficient of an element contained in the compound; the number of the plurality of maps arranged along the third coordinate axis in generating the image is the number of values ​​that the third variable can take. The information processing method according to claim 12.

14. In generating the image, generating an image including the alignment maps by arranging the maps along a third coordinate axis representing the third variable and a fourth coordinate axis representing a fourth variable; the fourth variable is a variable other than the first variable, the second variable, and the third variable among the k variables, the third coordinate axis is parallel to the first coordinate axis, the fourth coordinate axis is parallel to the second coordinate axis or perpendicular to the third coordinate axis; The information processing method according to claim 11.

15. each of the first variable, the second variable, the third variable, and the fourth variable is a variable used to express a composition coefficient of an element contained in the compound; the number of maps arranged along the third coordinate axis in generating the image is the number of values ​​that the third variable can take; the number of maps arranged along the fourth coordinate axis in generating the image is the number of values ​​that the fourth variable can take. The information processing method according to claim 14.

16. The composition formula of each of the plurality of compounds is expressed by ApDqEr, In the composition formula, A represents at least one element, D in the composition formula is the third variable indicating an element, E in the composition formula is the fourth variable indicating an element, In the composition formula, p is a composition coefficient of at least one element represented by A, In the composition formula, q is a first variable indicating a composition coefficient of the element represented by D, In the composition formula, r is a second variable indicating the composition coefficient of the element represented by E, the number of maps arranged along the third coordinate axis in generating the image is the number of elements that the third variable can take, the number of maps arranged along the fourth coordinate axis in generating the image is the number of elements that the fourth variable can take; The information processing method according to claim 14.

17. an acquisition unit that acquires, for each of the plurality of compounds, material information relating to two or more elements constituting the compound and a composition ratio of the two or more elements in the compound; an attribute determination unit that determines attributes of a group to which the plurality of compounds belong based on the material information; a determination unit that determines an axis variable in accordance with the determined attribute; an output processing unit that outputs a graph having coordinate axes indicating the axis variables; Information processing device.

18. an acquisition unit that acquires variable information regarding k variables (k is an integer of 3 to 6) used to express the structure of a compound; a generating unit that generates an image including an array map including an array of a plurality of maps by arranging a plurality of maps indicating information on each of a plurality of compounds having a configuration expressed by the k variables based on the variable information; an output processing unit that outputs the image, each of the plurality of maps is represented by a first coordinate axis indicating a first variable included in the k variables and a second coordinate axis indicating a second variable included in the k variables; the plurality of maps included in the array map are arranged according to a third variable other than the first variable and the second variable among the k variables; Information processing device.

19. acquiring, for each of the plurality of compounds, material information relating to two or more elements constituting the compound and the composition ratio of the two or more elements in the compound; determining attributes of a group to which the plurality of compounds belong based on the material information; determining an axis variable in response to the determined attribute; outputting a graph having coordinate axes indicating said axis variables. program.

20. Obtain variable information regarding k variables (k is an integer of 3 or more and 6 or less) used to express the structure of the compound; generating an image including an array map consisting of an array of the plurality of maps by arranging a plurality of maps showing information on each of a plurality of compounds having a structure represented by the k variables based on the variable information; outputting the image; each of the plurality of maps is represented by a first coordinate axis indicating a first variable included in the k variables and a second coordinate axis indicating a second variable included in the k variables; the plurality of maps included in the array map are arranged according to a third variable other than the first variable and the second variable among the k variables; program.