Srinivasan S. Iyengar

Srinivasan S. Iyengar, Sabre Kais

We provide a detailed exposition of the connections between Boltzmann machines commonly utilized in machine learning problems and the ideas already well known in quantum statistical mechanics through Feynman's description of the same. We find that this equivalence allows the interpretation that the hidden layers in Boltzmann machines and other neural network formalisms are in fact discrete versions of path elements that are present within the Feynman path-integral formalism. Since Feynman paths are the natural and elegant depiction of interference phenomena germane to quantum mechanics, it appears that in machine learning, the goal is to find an appropriate combination of ``paths'', along with accumulated path-weights, through a network that cumulatively capture the correct $x \rightarrow y$ map for a given mathematical problem. As a direct consequence of this analysis, we are able to provide general quantum circuit models that are applicable to both Boltzmann machines and to Feynman path integral descriptions. Connections are also made to inverse quantum scattering problems which allow a robust way to define ``interpretable'' hidden layers.

Anurag Ghosh, Srinivasan Iyengar, Stephen Lee et al.

Emerging Internet of Things (IoT) and mobile computing applications are expected to support latency-sensitive deep neural network (DNN) workloads. To realize this vision, the Internet is evolving towards an edge-computing architecture, where computing infrastructure is located closer to the end device to help achieve low latency. However, edge computing may have limited resources compared to cloud environments and thus, cannot run large DNN models that often have high accuracy. In this work, we develop REACT, a framework that leverages cloud resources to execute large DNN models with higher accuracy to improve the accuracy of models running on edge devices. To do so, we propose a novel edge-cloud fusion algorithm that fuses edge and cloud predictions, achieving low latency and high accuracy. We extensively evaluate our approach and show that our approach can significantly improve the accuracy compared to baseline approaches. We focus specifically on object detection in videos (applicable in many video analytics scenarios) and show that the fused edge-cloud predictions can outperform the accuracy of edge-only and cloud-only scenarios by as much as 50%. We also show that REACT can achieve good performance across tradeoff points by choosing a wide range of system parameters to satisfy use-case specific constraints, such as limited network bandwidth or GPU cycles.

Anurag Dwivedi, Melissa C. Revelle, Daniel S. Lobser et al.

We present an approach based on tensor networks for distributed quantum computing simulation of chemical wavepacket dynamics in a continuous variable representation. The central idea is that the tensor-network representation of the multidimensional time-evolution operator naturally induces an elevated Hilbert space where the dynamics decomposes into a set of independent lower-dimensional propagations. This transformation converts an entangled quantum evolution into a set of parallel computational tasks that can be executed asynchronously across heterogeneous quantum and classical computing architectures. The resulting formalism establishes a direct connection between tensor-network decompositions, uniformly controlled quantum circuits, and asynchronous distributed quantum computing. The approach is developed with a goal towards hybrid quantum/classical implementation, and is appropriate for a general heterogeneous mixture of quantum hardware systems. The experimental realization of the asynchronously distributed quantum processes that arise from the tensor-network decomposition are carried out on the Sandia National Laboratories' trapped-ion quantum computer, where the circuits are compiled using native partial-entangling $XX(θ)$ gates, reducing the expected two-qubit gate infidelity by more than 30\% relative to conventional fully entangling decompositions. We demonstrate the methodology by quantum computing the vibrational spectra of a small protonated water cluster that shows critical quantum nuclear behavior. Such water cluster systems have been found to be challenging for experimental action spectroscopy and for theory, and here, for the first time, we provide results for vibrational spectroscopy that are in agreement with the respective classical results to within 4cm$^{-1}$, thus allowing for the potential for spectroscopic accuracy from quantum computations.

Xiao Zhu, Srinivasan S. Iyengar

Computing high dimensional potential surfaces for molecular and materials systems is considered to be a great challenge in computational chemistry with potential impact in a range of areas including fundamental prediction of reaction rates. In this paper we design and discuss an algorithm that has similarities to large language models in generative AI and natural language processing. Specifically, we represent a molecular system as a graph which contains a set of nodes, edges, faces etc. Interactions between these sets, which represent molecular subsystems in our case, are used to construct the potential energy surface for a reasonably sized chemical system with 51 dimensions. Essentially a family of neural networks that pertain to the graph-based subsystems, get the job done for this 51 dimensional system. We then ask if this same family of lower-dimensional neural networks can be transformed to provide accurate predictions for a 186 dimensional potential surface. We find that our algorithm does provide reasonably accurate results for this larger dimensional problem with sub-kcal/mol accuracy for the higher dimensional potential surface problem.