Abstract: A computer-implemented method is disclosed for mapping a dataset from a Hilbert space of a given dimension to a Hilbert space of a different dimension, the method comprising obtaining a dataset, for each data sample of the dataset, for a plurality of episodes, generating an encoded sample; configuring an adiabatic quantum device by embedding each encoded sample into a q-body Hamiltonian H representative of an adiabatic quantum device, causing the adiabatic quantum device to evolve from an initial state to a final state; and performing a projective measurement along z axis at the final state to determine the value of each qubit; generating a corresponding binary vector representative of the given data sample in a transformed Hilbert space using the determined value of each qubit at each episode and providing a mapped dataset comprising each of the generated corresponding binary vectors.

Abstract: A method is disclosed for determining a conformation of a molecule on at least one degree of freedom to optimize according to at least one molecular objective function, the method comprising generating using at least one corresponding degree of freedom to optimize a connected rigid bodies representation for the molecule by identifying a plurality of groups of atoms, generating a data structure representative of the connected rigid bodies representation generating at least one neighborhood for each generated neighborhood of the at least one generated neighborhoods, generating a corresponding binary optimization problem using the data structure, providing the generated corresponding binary optimization problem to a high-performance binary optimizer, obtaining a solution from the high-performance binary optimizer; and providing at least one corresponding solution.

Abstract: A computer-implemented method is disclosed for mapping a dataset from a Hilbert space of a given dimension to a Hilbert space of a different dimension, the method comprising obtaining a dataset, for each data sample of the dataset, for a plurality of episodes, generating an encoded sample; configuring an adiabatic quantum device by embedding each encoded sample into a q-body Hamiltonian H representative of an adiabatic quantum device, causing the adiabatic quantum device to evolve from an initial state to a final state; and performing a projective measurement along z axis at the final state to determine the value of each qubit; generating a corresponding binary vector representative of the given data sample in a transformed Hilbert space using the determined value of each qubit at each episode and providing a mapped dataset comprising each of the generated corresponding binary vectors.

Abstract: A method is disclosed for determining a conformation of a molecule on at least one degree of freedom to optimize according to at least one molecular objective function, the method comprising generating using at least one corresponding degree of freedom to optimize a connected rigid bodies representation for the molecule by identifying a plurality of groups of atoms, generating a data structure representative of the connected rigid bodies representation generating at least one neighborhood for each generated neighborhood of the at least one generated neighborhoods, generating a corresponding binary optimization problem using the data structure, providing the generated corresponding binary optimization problem to a high-performance binary optimizer, obtaining a solution from the high-performance binary optimizer; and providing at least one corresponding solution.