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DOE OSTI2023

Quantum-inspired tempering for ground state approximation using artificial neural networks

A large body of work has demonstrated that parameterized artificial neural networks (ANNs) can efficiently describe ground states of numerous interesting quantum many-body Hamiltonians. However, the standard variational algorithms used to update or train the ANN parameters can get trapped in local minima, especially for frustrated systems and even if the representation is sufficiently expressive. We propose a parallel tempering method that facilitates escape from such local minima. This methods involves training multiple ANNs independently, with each simulation governed by a Hamiltonian with a different "driver" strength, in analogy to quantum parallel tempering, and it incorporates an update step into the training that allows for the exchange of neighboring ANN configurations. We study instances from two classes of Hamiltonians to demonstrate the utility of our approach using Restricted Boltzmann Machines as our parameterized ANN. The first instance is based on a permutation-invariant Hamiltonian whose landscape stymies the standard training algorithm by drawing it increasingly to a false local minimum. The second instance is four hydrogen atoms arranged in a rectangle, which is an instance of the second quantized electronic structure Hamiltonian discretized using Gaussian basis functions. We study this problem in a minimal basis set, which exhibits false minima that can trap the standard variational algorithm despite the problem’s small size. We show that augmenting the training with quantum parallel tempering becomes useful to finding good approximations to the ground states of these problem instances.

Albash, Tameem↗

DOE OSTI2025

A Quantum Approach for Implementing Fixed-Point Arithmetic in Solving Ordinary Differential Equations

Differential equations (DEs) serve as fundamental tools in mathematical modeling across scientific disciplines, yet classical numerical solvers face limitations with large-scale or computationally intensive problems. This study explores a quantum-inspired approach to solving DEs, combining quantum- inspired techniques with classical methods. It focuses on fixed- point arithmetic on quantum circuits, utilizing basic quantum gates to manipulate DE solutions. We expand upon the techniques introduced by Zanger et al. [Quantum, 5, 502 (2021)] by offering a precise computation for a fixed-point signed multiplication scheme, while also presenting a quantum circuit capable of executing the fixed-point division algorithm. We demonstrate the feasibility of our approach through the simulation of a linear Ordinary Differential Equation (ODE), where initial conditions and parameters are encoded into quantum circuits using fixed- point representation. By executing sequences of quantum gates mimicking numerical integration steps, we obtain approximate solutions to the ODE with specified fixed-point precision.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2011

Quantum-Classical Hybrid for Information Processing

Based upon quantum-inspired entanglement in quantum-classical hybrids, a simple algorithm for instantaneous transmissions of non-intentional messages (chosen at random) to remote distances is proposed. The idea is to implement instantaneous transmission of conditional information on remote distances via a quantum-classical hybrid that preserves superposition of random solutions, while allowing one to measure its state variables using classical methods. Such a hybrid system reinforces the advantages, and minimizes the limitations, of both quantum and classical characteristics. Consider n observers, and assume that each of them gets a copy of the system and runs it separately. Although they run identical systems, the outcomes of even synchronized runs may be different because the solutions of these systems are random. However, the global constrain must be satisfied. Therefore, if the observer #1 (the sender) made a measurement of the acceleration v(sub 1) at t =T, then the receiver, by measuring the corresponding acceleration v(sub 1) at t =T, may get a wrong value because the accelerations are random, and only their ratios are deterministic. Obviously, the transmission of this knowledge is instantaneous as soon as the measurements have been performed. In addition to that, the distance between the observers is irrelevant because the x-coordinate does not enter the governing equations. However, the Shannon information transmitted is zero. None of the senders can control the outcomes of their measurements because they are random. The senders cannot transmit intentional messages. Nevertheless, based on the transmitted knowledge, they can coordinate their actions based on conditional information. If the observer #1 knows his own measurements, the measurements of the others can be fully determined. It is important to emphasize that the origin of entanglement of all the observers is the joint probability density that couples their actions. There is no centralized source, or a sender of the signal, because each receiver can become a sender as well. An observer receives a signal by performing certain measurements synchronized with the measurements of the others. This means that the signal is uniformly and simultaneously distributed over the observers in a decentralized way. The signals transmit no intentional information that would favor one agent over another. All the sequence of signals received by different observers are not only statistically equivalent, but are also point-by-point identical. It is important to assume that each agent knows that the other agent simultaneously receives the identical signals. The sequences of the signals are true random, so that no agent could predict the next step with the probability different from those described by the density. Under these quite general assumptions, the entangled observers-agents can perform non-trivial tasks that include transmission of conditional information from one agent to another, simple paradigm of cooperation, etc. The problem of behavior of intelligent agents correlated by identical random messages in a decentralized way has its own significance: it simulates evolutionary behavior of biological and social systems correlated only via simultaneous sensoring sequences of unexpected events.

Zak, Michail↗