Method, apparatus, medium and device for simulating virus mutation and infection based on quantum computing

Abstract

The present invention provides a method, device, medium and equipment for simulating virus mutation and infection based on quantum computing, which relates to the technical field of quantum computing. The method assigns quantum bits and rotation angles to each base pair of the virus and the host, and establishes a quantum circuit according to the required number of quantum bits; applies a Hadamard gate to the quantum bits to put the quantum bits in a superposition state; applies a U gate to the quantum bits in the superposition state to perform a characteristic comparison of the base pair rotation angles. If there are identical base pairs in the base pair sequences of the virus and the host, a CNOT gate is applied to the quantum bits representing the base pair; a measurement operation is applied to the quantum bits of the quantum circuit, and the infection probability is obtained by analyzing the count of the quantum bits with the state of 0 in the measurement results. Applying the present invention can simulate virus mutation and infection, and the simulation results are helpful for the treatment of virus-related diseases and the development of vaccines.

Description

Technical Field

[0001] The present invention relates to the technical field of quantum computing, and in particular, to a method, device, medium and equipment for simulating virus mutation and infection based on quantum computing. Background Art

[0002] Virus immune escape refers to the phenomenon that viruses change their antigenicity through mutation, recombination, gene transfer and other variation methods, so as to escape the attack of the host immune system. Virus immune escape can lead to enhanced persistence and infectivity of virus infection, and can also lead to the failure of virus-related vaccines and drugs. Virus immune escape exists in many infectious diseases, such as human immunodeficiency virus (HIV), influenza virus and novel coronavirus, etc.

[0003] Traditional methods for simulating the process of virus immune escape include computer simulation and laboratory culture. Computer simulation usually uses bioinformatics tools to align and analyze virus sequences to predict their variation and mutation. The accuracy of computer simulation is affected by algorithms and data quality. Laboratory culture usually uses cell culture techniques and animal models, and observes the process and mechanism of virus immune escape through artificial infection and virus treatment. Laboratory culture requires a large amount of time and resources, and it is difficult to simulate the immune response in the human body.

[0004] In the computer simulation method, molecular dynamics simulation is a computational method based on the principles of Newtonian mechanics, which can simulate the motion and interaction of molecules. Through molecular dynamics simulation, the interaction between viruses and host cells can be studied, including the process of virus immune escape. Molecular dynamics simulation does not require the use of special hardware devices, but there are also some limitations. For example, it is necessary to accurately describe the physical and chemical properties and interactions of molecules, and a large amount of data and complex algorithms need to be processed during the simulation process. Therefore, the requirements for computing resources and computing efficiency are still relatively high. Summary of the Invention

[0005] The purpose of the present invention is to provide a method, device, medium and equipment for simulating virus mutation and infection based on quantum computing, so as to efficiently and accurately simulate and analyze the virus mutation and infection situation.

[0006] According to one aspect of the present invention, a method for simulating virus mutation and infection based on quantum computing is provided, including the following steps:

[0007] Obtain the amino acid sequences of the protein models of the virus and the host, convert the amino acid sequences into base pair sequences, and perform perturbation mutation processing on the base pair sequences of the virus.

[0008] Build a quantum circuit according to the total length of the base pair sequence, and assign quantum bits and rotation angles to each base pair of the virus and the host.

[0009] Apply a Hadamard gate to the qubits representing each base pair of the virus and the host, putting the qubits in a superposition state.

[0010] Apply a U gate to the qubits in the superposition state for base pair rotation angle feature comparison. If there are identical base pairs in the base pair sequences of the virus and the host, apply a CNOT gate to the qubits representing those base pairs.

[0011] Apply a measurement operation to the qubits of the quantum circuit, and obtain the infection probability by analyzing the count of qubits with state 0 in the measurement results.

[0012] According to an embodiment of the present invention, the method further includes: obtaining the similarity between the amino acid sequences of the virus and the host based on the number of identical base pairs in the base pair sequences of the virus and the host.

[0013] According to an embodiment of the present invention, in the step of obtaining the similarity between the amino acid sequences of the virus and the host based on the number of identical base pairs in the base pair sequences of the virus and the host, according to the formula calculate to obtain the similarity S ν,α , where ν represents the amino acid sequence of the virus, ν i represents the base pairs of the virus amino acid sequence, m is the total length of the base pair sequence of the virus, α represents the amino acid sequence of the host, α j represents the base pairs of the host amino acid sequence, n is the total length of the base pair sequence of the host, δ takes the value of 1 when ν i = α j and takes the value of 0 otherwise, 1 ≤ i ≤ n, 1 ≤ j ≤ m.

[0014] According to an embodiment of the present invention, the step of assigning qubits and rotation angles to each base pair of the virus and the host further includes: assigning classical bits corresponding to the qubits to each base pair, and the classical bits are used to store the measurement results of the corresponding qubits; the step of applying a measurement operation to the qubits of the quantum circuit further includes: mapping and storing the states of the qubits to the corresponding classical bits after measurement.

[0015] According to an embodiment of the present invention, the step of obtaining the infection probability by analyzing the count of qubits with state 0 in the measurement results includes: counting the number of qubits with state 0, R0, to obtain the virus infection probability P infected = R0 / m, where m is the total length of the base pair sequence of the virus.

[0016] According to an embodiment of the present invention, the method further includes: performing multiple perturbation mutation processes on the base pair sequence of the virus, performing a normal distribution analysis on the infection probabilities obtained by iteratively simulating multiple mutations, and determining the average infection probability of the virus according to the results of the normal distribution analysis.

[0017] According to an embodiment of the present invention, the method further includes: screening the average infection probabilities obtained by iteratively simulating multiple mutations for multiple viruses respectively, and screening out the viruses whose average infection probabilities are greater than or equal to the infection threshold.

[0018] According to another aspect of the present invention, there is provided a device for simulating virus mutation and infection based on quantum computing, including: a data input unit configured to obtain the amino acid sequence of the protein models of the virus and the host and convert the amino acid sequence into a base pair sequence; a data mutation unit configured to perform a perturbation mutation process on the base pair sequence of the virus; a data mapping unit configured to determine the number of qubits required according to the total length of the base pair sequence, and allocate qubits and rotation angles in the quantum circuit for each base pair of the virus and the host; a quantum circuit configured to generate qubits according to the number of qubits required, apply a Hadamard gate to the qubits representing each base pair of the virus and the host to put the qubits in a superposition state; apply a U gate to the qubits in the superposition state to perform a feature comparison of the base pair rotation angles, and if there are identical base pairs in the base pair sequences of the virus and the host, apply a CNOT gate to the qubits representing the base pairs; a result storage unit configured to store the measurement results after applying a measurement operation to the qubits of the quantum circuit; and a result analysis unit configured to analyze the measurement results, obtain the infection probability by analyzing the count of qubits in the state of 0 in the measurement results, and obtain the similarity between the amino acid sequences of the virus and the host according to the number of identical base pairs in the amino acid sequences of the virus and the host.

[0019] According to an embodiment of the present invention, the quantum circuit includes a Hadamard gate, a U gate, and a CNOT gate that are sequentially arranged in time sequence and applied to the qubits.

[0020] According to another aspect of the present invention, there is provided a computer-readable storage medium storing a computer program, which when executed by a processor, implements the method for simulating virus mutation and infection based on quantum computing as described above.

[0021] According to another aspect of the present invention, there is provided a quantum computing device, including: a processor; a memory storing a computer program, which when executed by the processor, implements the method for simulating virus mutation and infection based on quantum computing as described above.

[0022] Compared with the prior art, the beneficial effects of the present invention are as follows:

[0023] 1. The method of simulating virus mutation and infection based on quantum computing can search for as many virus mutations as possible, rather than just searching within a certain search space, and can more accurately describe the interaction between the virus and the host, the virus mutation process, and the response of the immune system.

[0024] 2. The method of simulating virus mutation and infection based on quantum computing can make full use of quantum computers for efficient parallel computing, and has higher computing efficiency compared with classical computers. It can quickly discover virus amino acids with high infection rates, which is more efficient than waiting for a long time through biological experiments.

[0025] 3. The method of simulating virus mutation and infection based on quantum computing can obtain the virus infection rate and the amino acid similarity between the virus and the host. By simulating the interaction between the virus and the host, it can assist in the design of vaccines and antiviral drugs.

[0026] 4. By deeply quantitatively analyzing the infection probability and similarity of the simulation results, possible targets can be predicted, thereby accelerating the R & D process of vaccines and drugs, and can also be used to track the spread of the virus and evaluate the effectiveness of vaccination programs.

[0027] In summary, using quantum computing to simulate virus mutation and infection is conducive to in-depth analysis of the virus immune escape process. Compared with traditional classical computers, quantum computers can handle more complex computing problems, and parallel computing makes quantum computers more efficient than traditional computers in dealing with virus immune escape problems. BRIEF DESCRIPTION OF THE DRAWINGS

[0028] The above objects and features of the present invention will become clearer through the following description in conjunction with the drawings.

[0029] Figure 1 The figure shows a schematic flowchart of a method for simulating virus mutation and infection based on quantum computing according to an exemplary embodiment of the present invention.

[0030] Figure 2 The figure shows a schematic diagram of the amino acid sequences of a virus and a host according to an exemplary embodiment of the present invention.

[0031] Figure 3 The figure shows a schematic diagram of a quantum circuit according to an exemplary embodiment of the present invention.

[0032] Figure 4 The figure shows a heat map of the infection probability of a virus population generated by 20 iterations of mutation according to an exemplary embodiment of the present invention.

[0033] Figure 5Shown is the normal distribution graph of the infection probability obtained after multiple mutation iterations of a certain virus according to an exemplary embodiment of the present invention.

[0034] Figure 6 Shown is the schematic diagram of the normal distribution of the infection probabilities of 10 different viruses (virus1 - 10) according to an exemplary embodiment of the present invention.

[0035] Figure 7 Shown is the schematic diagram of the infection probability distribution of the virus antigen AntigenF according to an exemplary embodiment of the present invention.

[0036] Figure 8 Shown is the infection probability distribution graph of multiple antigens generated after hundreds of mutation iterations according to an exemplary embodiment of the present invention.

[0037] Figure 9 Shown is the schematic structural block diagram of a device for simulating virus mutation and infection based on quantum computing according to an exemplary embodiment of the present invention. Detailed implementation

[0038] The concept of the present invention lies in:

[0039] Convert the amino acid sequences of the virus and the antibody into base pair sequences, and perform perturbation mutation processing on the virus base pair sequence; create a quantum circuit, assign quantum bits for representing base pairs to the base pairs in the base pair sequences of the virus and the host, and use the quantum bits to simulate the process of the virus infecting the host. During the simulation process, apply the H gate, U gate, and CNOT gate to the quantum bits in sequence, obtain the infection probabilities of the amino acid sequences of the virus and the host through the measurement results of quantum computing, and further determine the similarity between the amino acid sequences of the virus and the host. Based on the infection probabilities and similarities, quantitatively analyze the infection process and evaluate the virus's immune escape ability. The higher the similarity, the higher the possibility of the virus evading the host immune system.

[0040] Traditional algorithms usually use string matching algorithms (e.g., Levenshtein distance) to calculate the similarity of amino acid sequences. The speed and accuracy of these algorithms depend on the amount of input data and the complexity of the algorithms. On small - scale data sets, traditional algorithms may be faster than quantum computing methods, but on large - scale data sets, traditional algorithms may become very slow. Due to the superposition and entanglement properties of quantum bits, multiple quantum bits representing base pairs can be processed simultaneously, realizing parallel computing for simulating the similarity between the amino acid sequences of the host and the virus by quantum bits. Especially when dealing with large - scale data sets, it has more advantages. Using the quantum simulation method can solve the problem in polynomial time, while using classical algorithms requires exponential time to solve the same problem.

[0041] Next, embodiments of the present invention will be described in detail with reference to the accompanying drawings.

[0042] Figure 1 Shown is a schematic flowchart of a method for simulating virus mutation and infection based on quantum computing according to an exemplary embodiment of the present invention. Figure 1 The method shown includes the following steps:

[0043] Step S1, obtain the amino acid sequence of the protein models of the virus and the host, and convert the amino acid sequence into a base pair sequence.

[0044] Step S2, perform perturbation mutation processing on the base pair sequence of the virus.

[0045] Step S3, establish a quantum circuit according to the total length of the base pair sequence, and assign qubits and rotation angles to each base pair of the virus and the host.

[0046] Step S4, apply a Hadamard gate to the qubits representing each base pair of the virus and the host, so that the qubits are in a superposition state.

[0047] Step S5, apply a U gate to the qubits in the superposition state for base pair rotation angle feature comparison. If there are the same base pairs in the base pair sequences of the virus and the host, apply a CNOT gate to the qubits representing that base pair.

[0048] Step S6, perform a measurement operation on the qubits of the quantum circuit, and obtain the infection probability by analyzing the count of qubits with state 0 in the measurement results.

[0049] Step S7, obtain the similarity between the amino acid sequences of the virus and the host according to the number of identical base pairs in the base pair sequences of the virus and the host.

[0050] The spike protein is a membrane protein on the surface of the coronavirus and plays a crucial role in the process of the virus entering the host cell and causing infection. In some examples, the spike protein S of the novel coronavirus (COVID-19) is used for the virus. The virus model data is from the 6vyb.pdb in the open-source library Bio.PDB; the host uses a monoclonal host of IgG1-kappa, which is a recombinant of a humanized mouse monoclonal host, and the host model data is from the 4u7u.pdb in the open-source library Bio.PDB.

[0051] In step S1, obtain the amino acid sequence of the protein models of the virus and the host, and convert the amino acid sequence into a base pair sequence. Specifically, first extract the amino acid sequence from the given PDB files of the virus and the host, and then convert the amino acid sequence into a base pair sequence. As Figure 2 shown, a schematic diagram of the amino acid sequences of the virus and the host is given.

[0052] Figure 2 In it, the amino acid sequence of the protein is extracted by reading the PDB file to obtain a sequence represented as a string, and this string will be composed of the abbreviated letters of amino acids, such as ['L', 'Q', 'P', 'E', 'L', 'D', 'S'......]. The amino acid sequence is converted into a base pair sequence using the Genetic Code Table. The Genetic Code Table defines the correspondence between amino acids and the corresponding base pairs. The obtained base pair sequence after conversion. For example, 'ACTGAGCTGATC......'.

[0053] In step S2, perturbation mutation processing is performed on the base pair sequence of the virus. The mutation of the virus is affected by factors such as genetic variability, immune selection pressure, and replication error rate. The genetic variability, immune selection pressure, and replication error rate are used as the perturbation terms for virus mutation. During each mutation iteration, the perturbation terms will randomly change, thereby triggering the mutation of the virus, and one virus sample can be formed for each mutation.

[0054] In step S3, a quantum circuit is established according to the total length of the base pair sequence, and qubits and rotation angles are assigned to each base pair of the virus and the host. As Figure 2 shown, m qubits are assigned to the base pairs after mutation processing of the amino acid sequence V of the virus, and n qubits are assigned to the base pairs of the amino acid sequence α of the host. The total length of the base pair sequence is m + n, and the required number of qubits N = m + n is determined. At the same time, classical bits corresponding to the qubits are assigned to each base pair, and the classical bits are used to store the measurement results of the corresponding qubits. After measuring the qubits, the state of the qubits is mapped and stored in the classical bits.

[0055] At the same time, corresponding rotation angles are assigned to different base pairs to initialize the state of the quantum circuit. Define the correspondence between the rotation angle corresponding to the base pair and the U gate, including:

[0056] The rotation angle of the 'A' base pair is π / 2, and the corresponding quantum U gate is Ry (π / 2, i), which means applying the rotation gate Ry on the i-th qubit, rotating by - / 2 radians around the y-axis.

[0057] The rotation angle of the 'C' base pair is π / 2, and the corresponding quantum U gate is Rx (π / 2, i), which means applying the rotation gate Rx on the i-th qubit, rotating by π / 2 radians around the x-axis.

[0058] The rotation angle of the 'G' base pair is -π / 2, and the corresponding quantum U gate is Ry (-π / 2, i), which means applying the rotation gate Ry on the i-th qubit, rotating by -π / 2 radians around the y-axis.

[0059] The rotation angle of the 'T' base pair is -π / 2, and the corresponding quantum U gate is Rx(-π / 2, i), which means applying the rotation gate Rx on the i-th qubit, rotating -π / 2 radians around the x-axis.

[0060] The general form of the U gate is expressed as: . Rx(φ) is the rotation gate that rotates by an angle of φ around the x-axis, Ry(θ) is the rotation gate that rotates by an angle of θ around the y-axis, and Rz(λ) is the rotation gate that rotates by an angle of λ around the z-axis.

[0061] In step S4, apply the Hadamard gate to the qubits representing each base pair of the virus and the host, putting the qubits in a superposition state. As Figure 3 shown, the role of the H gate (Hadamard gate) is to prepare the superposition state. When the Hadamard gate acts on the ground state, it will generate a superposition state. When the H gate acts on the ground state , ; when the H gate acts on the ground state , . By applying the H gate, the qubits are generated from the computational ground state into a superposition state.

[0062] In step S5, apply the U gate to the qubits in the superposition state for base pair rotation angle feature comparison. If there are identical base pairs in the base pair sequences of the virus and the host, then apply the CNOT gate to the qubits representing that base pair.

[0063] Specifically, apply the U gate to the qubits in the superposition state. As Figure 3 shown, the U gate can be the Rx gate or the Ry gate. The rotation gate Ry represents rotation around the y-axis, and the rotation gate Rx represents rotation around the x-axis. By applying the U gate, the qubits can be compared for feature matching, thereby determining which of A, C, G, and T in the base pair sequences of the virus and the host are the same.

[0064] If there are identical base pairs in the base pair sequences of the virus and the host, then apply the CNOT gate to the qubits representing that base pair; as Figure 3 shown, the role of the CNOT gate (Controlled NOT Gate) is to flip the controlled qubit. Its input is two qubits, one is the control qubit and the other is the controlled qubit. If the quantum state of the control qubit is , it will flip the controlled qubit, otherwise it will keep the controlled qubit unchanged. When the first qubit (referred to as the control qubit) is in the initial state, flip the second qubit (referred to as the target qubit) to the state.

[0065] In step S6, a measurement operation is applied to the qubits of the quantum circuit, and the infection probability is obtained by analyzing the count of qubits with state 0 in the measurement results. As Figure 3 shown, by applying a measurement operation to the qubits, using a qubit register for the measurement can obtain the frequency of the final quantum state in the computational basis. The frequency is used to approximate the probability, and then the result is output in the form of classical information. In the measurement results, a qubit with state 0 indicates that the viral base pair infects the host base pair. Counting the qubits with state 0 as R0, the viral infection probability P infected = R0 / m, where m is the total length of the base pair sequence in the amino acid sequence of the virus.

[0066] In step S7, the similarity S between the amino acid sequences of the virus and the host is obtained according to the number of identical base pairs in the base pair sequences of the virus and the host.

[0067] The formula for calculating the similarity S is: . Where, ν represents the amino acid sequence of the virus, ν i represents the base pair of the amino acid sequence of the virus, m is the total length of the base pair sequence of the virus, α represents the amino acid sequence of the host, α j represents the base pair of the amino acid sequence of the host, n is the total length of the base pair sequence of the host, δ takes the value of 1 when ν i = α j and 0 otherwise, 1 ≤ i ≤ n, 1 ≤ j ≤ m.

[0068] As Figure 3 shown, some examples of the quantum circuit are shown. In the quantum circuit, first the H gate is applied to initialize the qubits to the superposition state, and then the U gate is applied to make the rotation angle eigenvalues of the qubits comparable, so as to realize the feature comparison between the base pairs in the base pair sequences of the virus and the host, and thus the identical base pairs can be found. By applying qubits, parallel and fast comparison can be achieved. The CNOT gate is applied to the qubits representing the base pairs, so as to control the target bit to the state. After applying the measurement, the state of the qubits is mapped to classical bits for storage. According to the measurement results, only by counting the qubits with state 0, the infection probability can be obtained. Further, by counting the number of identical base pairs, the similarity between the amino acid sequences of the virus and the host can be calculated. According to the infection probability and the similarity, the viral immune escape process can be quantitatively analyzed. The analysis results can be used to trace the spread of the virus and evaluate the effectiveness of the vaccination plan, and can also be used for diagnosing infections and evaluating the immune response to vaccination.

[0069] In the above steps S1 to S7, the process of single mutation infection simulation is presented, simulating the random perturbation of natural mutation in the interaction between the virus and the host. To more accurately represent the simulation of virus mutation, a loop with a perturbation term can be added to iteratively generate various new viruses, forming a virus population, recording the infection probability values obtained during all mutation iteration simulations, and representing them using a heat map according to the high and low of the infection probability values. As Figure 4 shown, a heat map of the infection probability after multiple mutation iteration simulations is given. In Figure 4 , the infection probabilities of the virus population (sequence numbers 0 - 19) generated by 20 mutation iterations are shown. It can be seen that for a certain virus, the infection probabilities obtained in each iteration are not the same. Among the 20 mutated viruses, some viruses show relatively high infection probabilities.

[0070] For a certain virus, perform multiple mutation iteration simulations, increase the number of simulations, record the infection probabilities, calculate the mean and standard deviation of the infection probability distribution, and create a normal distribution graph of the infection probability of this virus using the mean and standard deviation. As Figure 5 shown, a normal distribution graph of the infection probability obtained after multiple mutation iteration simulations of a certain virus is shown. Further, for multiple viruses, perform multiple iteration simulations, and the normal distributions of the infection probabilities of multiple viruses can be compared. As Figure 6 shown, a schematic diagram of the normal distribution of the infection probabilities of 10 different viruses (virus populations generated by 10 mutations of the same virus) is given.

[0071] As Figure 7 shown, a schematic diagram of the infection probability distribution of the virus antigen AntigenF is given. To optimize the simulation results, the number of mutation iterations can be increased, Figure 7 showing the infection probability distribution graphs of multiple antigens generated after dozens of mutation iterations, among which the antigen ['F'] shows a relatively high infection probability.

[0072] As Figure 8 shown, a schematic diagram of the infection probability distribution graphs of multiple antigens generated after hundreds of mutation iterations is given, among which the antigens ['F', 'V', 'Q'] show relatively high infection probabilities.

[0073] Based on Figure 1 the method for simulating virus mutation infection based on quantum computing shown. As Figure 9 shown, a schematic diagram of the device for simulating virus mutation infection based on quantum computing is given. The device includes:

[0074] A data input unit configured to obtain the amino acid sequences of the protein models of the virus and the host and convert the amino acid sequences into base pair sequences;

[0075] A data mutation unit, configured to perform perturbation mutation processing on the base pair sequence of a virus;

[0076] A data mapping unit, configured to determine the required number of qubits according to the total length of the base pair sequence, and allocate qubits and rotation angles in the quantum circuit for each base pair of the virus and the host;

[0077] A quantum circuit, configured to generate qubits according to the required number of qubits, apply Hadamard gates to the qubits representing each base pair of the virus and the host to put the qubits in a superposition state; apply U gates to the qubits in the superposition state for base pair rotation angle feature comparison, and if there are identical base pairs in the base pair sequences of the virus and the host, apply CNOT gates to the qubits representing the base pairs;

[0078] A result storage unit, configured to store the measurement results after applying measurement operations to the qubits of the quantum circuit;

[0079] A result analysis unit, configured to analyze the measurement results, obtain the infection probability by analyzing the count of qubits with state 0 in the measurement results, and obtain the similarity between the amino acid sequences of the virus and the host according to the number of identical base pairs in the amino acid sequences of the virus and the host.

[0080] The method and device for simulating virus mutation and infection based on quantum computing according to the present invention can be used for the research and understanding of the virus immune escape mechanism, helping scientists better understand the biological characteristics and behavioral laws of the virus, and providing important scientific basis for virus prevention and control and vaccine design; it can also provide important information for the design of virus vaccines and drugs, helping researchers more accurately predict the mutation and escape mechanism of the virus, and designing more targeted prevention and control measures. This technology can also provide an important practical and verification platform for the application and development of quantum computers, promoting the further development and application of the quantum computing field.

[0081] In addition, according to an exemplary embodiment of the present invention, a computer-readable storage medium storing a computer program may also be provided. The computer-readable storage medium stores a computer program that, when executed by a processor, causes the processor to execute the method for simulating virus mutation and infection based on quantum computing according to the exemplary embodiment of the present invention. The computer-readable recording medium is any data storage device capable of storing data readable by a computer system. Examples of computer-readable recording media include: read-only memory, random access memory, read-only optical discs, magnetic tapes, floppy disks, optical data storage devices, and carrier waves (such as data transmission via the Internet through wired or wireless transmission paths).

[0082] In addition, according to an exemplary embodiment of the present invention, a quantum computing device may also be provided. The quantum computing device includes a processor and a memory. The memory is used to store a computer program. The computer program is executed by the processor such that the processor executes the computer program of the method for simulating virus mutation and infection based on quantum computing according to the exemplary embodiment of the present invention.

[0083] It should be noted that the first, second, third, fourth, etc. in the above description are used to distinguish features with the same name in the same or different embodiments, and are not limitations in terms of quantity. And the present invention is not limited to the specific configurations and processes described above or shown in the figures. The above description is only the specific implementation manner of the present invention. Those skilled in the art can clearly understand that for the convenience and conciseness of description, the specific working processes of the described system, device, module or unit can refer to the corresponding processes in the method embodiments and will not be described in detail again. It should be understood that the protection scope of the present invention is not limited thereto. Any person skilled in the art within the technical scope disclosed by the present invention can think of various equivalent modifications or substitutions, and these modifications or substitutions should all be covered within the protection scope of the present invention.

Claims

1. A method for simulating virus mutation and infection based on quantum computing, characterized in that, It includes the following steps: Obtain the amino acid sequences of the protein models of the virus and the host, convert the amino acid sequences into base pair sequences, and perform perturbation mutation processing on the base pair sequences of the virus; Establish a quantum circuit according to the total length of the base pair sequences, and assign qubits and rotation angles to each base pair of the virus and the host; Apply Hadamard gates to the qubits representing each base pair of the virus and the host to put the qubits in a superposition state; Apply U gates to the qubits in the superposition state for base pair rotation angle feature comparison. If there are identical base pairs in the base pair sequences of the virus and the host, apply CNOT gates to the qubits representing those base pairs; Apply measurement operations to the qubits of the quantum circuit, and obtain the infection probability by analyzing the count of qubits with state 0 in the measurement results.

2. The method for simulating virus mutation and infection based on quantum computing according to claim 1, wherein The method further includes: Obtain the similarity between the amino acid sequences of the virus and the host based on the number of identical base pairs in the base pair sequences of the virus and the host.

3. The method for simulating virus mutation and infection based on quantum computing according to claim 2, wherein, In the step of obtaining the similarity between the amino acid sequences of the virus and the host according to the number of identical base pairs in the base pair sequences of the virus and the host, according to the formula the similarity S is calculated ν,α , where ν represents the amino acid sequence of the virus, ν i represents the base pairs of the virus amino acid sequence, m is the total length of the base pair sequence of the virus, α represents the amino acid sequence of the host, α j represents the base pairs of the host amino acid sequence, n is the total length of the base pair sequence of the host, δ takes the value of 1 when ν i = α j and 0 otherwise, 1 ≤ i ≤ n, 1 ≤ j ≤ m.

4. The method for simulating virus mutation and infection based on quantum computing according to claim 1, wherein The step of assigning qubits and rotation angles to each base pair of the virus and the host further includes: assigning classical bits corresponding to the qubits to each base pair, and the classical bits are used to store the measurement results of the corresponding qubits; The step of applying measurement operations to the qubits of the quantum circuit further includes: mapping and storing the states of the qubits after measurement to the corresponding classical bits.

5. The method for simulating virus mutation and infection based on quantum computing according to claim 1, wherein The step of obtaining the infection probability by analyzing the count of qubits with state 0 in the measurement results includes: counting the number of qubits with state 0, denoted as R0, to obtain the virus infection probability P infected = R0 / m, where m is the total length of the base pair sequence of the virus.

6. The method for simulating virus mutation and infection based on quantum computing according to claim 1, wherein The method further includes: Perform multiple perturbation mutation processes on the base pair sequence of the virus, conduct a normal distribution analysis on the infection probabilities obtained from multiple mutation iteration simulations, and determine the average infection probability of the virus according to the results of the normal distribution analysis.

7. The method for simulating virus mutation and infection based on quantum computing according to claim 6, wherein The method further includes: Screen the average infection probabilities obtained from multiple mutation iteration simulations for multiple viruses respectively, and screen out the viruses with an average infection probability greater than or equal to the infection threshold.

8. A device for simulating virus mutation and infection based on quantum computing, characterized in that, It includes: A data input unit configured to obtain the amino acid sequences of the protein models of the virus and the host and convert the amino acid sequences into base pair sequences; A data mutation unit configured to perform perturbation mutation processing on the base pair sequences of the virus; A data mapping unit configured to determine the number of qubits required according to the total length of the base pair sequences and assign qubits and rotation angles in the quantum circuit to each base pair of the virus and the host; A quantum circuit configured to generate qubits according to the number of qubits required, apply Hadamard gates to the qubits representing each base pair of the virus and the host to put the qubits in a superposition state; apply U gates to the qubits in the superposition state for base pair rotation angle feature comparison, and if there are identical base pairs in the base pair sequences of the virus and the host, apply CNOT gates to the qubits representing those base pairs; A result storage unit configured to store the measurement results after applying measurement operations to the qubits of the quantum circuit; A result analysis unit configured to analyze the measurement results, obtain the infection probability by analyzing the count of qubits with state 0 in the measurement results, and obtain the similarity between the amino acid sequences of the virus and the host based on the number of identical base pairs in the amino acid sequences of the virus and the host.

9. A computer-readable storage medium storing a computer program, wherein, When the computer program is executed by a processor, it implements the method for simulating virus mutation and infection based on quantum computing according to any one of claims 1 to 7.

10. A quantum computing device, comprising: A processor; And a memory storing a computer program, which, when executed by the processor, implements the method for simulating virus mutation and infection based on quantum computing according to any one of claims 1 to 7.

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