Daiwei Zhu

Dominic Widdows, Aaranya Alexander, Daiwei Zhu et al.

This paper describes experiments showing that some tasks in natural language processing (NLP) can already be performed using quantum computers, though so far only with small datasets. We demonstrate various approaches to topic classification. The first uses an explicit word-based approach, in which word-topic scoring weights are implemented as fractional rotations of individual qubit, and a new phrase is classified based on the accumulation of these weights in a scoring qubit using entangling controlled-NOT gates. This is compared with more scalable quantum encodings of word embedding vectors, which are used in the computation of kernel values in a quantum support vector machine: this approach achieved an average of 62% accuracy on classification tasks involving over 10000 words, which is the largest such quantum computing experiment to date. We describe a quantum probability approach to bigram modeling that can be applied to sequences of words and formal concepts, investigating a generative approximation to these distributions using a quantum circuit Born machine, and an approach to ambiguity resolution in verb-noun composition using single-qubit rotations for simple nouns and 2-qubit controlled-NOT gates for simple verbs. The smaller systems described have been run successfully on physical quantum computers, and the larger ones have been simulated. We show that statistically meaningful results can be obtained using real datasets, but this is much more difficult to predict than with easier artificial language examples used previously in developing quantum NLP systems. Other approaches to quantum NLP are compared, partly with respect to contemporary issues including informal language, fluency, and truthfulness.

Felix Adams, Daiwei Zhu, David W. Steuerman et al.

Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A crucial aspect of autonomous materials science is exploring new materials using as little data as possible. Gaussian process-based active learning allows effective charting of multi-dimensional parameter space with a limited number of training data, and thus is a common algorithmic choice for autonomous materials science. An integral part of the autonomous workflow is the application of kernel functions for quantifying similarities among measured data points. A recent theoretical breakthrough has shown that quantum kernel models can achieve similar performance with less training data than classical models. This signals the possible advantage of applying quantum kernel machine learning to autonomous materials discovery. In this work, we compare quantum and classical kernels for their utility in sequential phase space navigation for autonomous materials science. Specifically, we compute a quantum kernel and several classical kernels for x-ray diffraction patterns taken from an Fe-Ga-Pd ternary composition spread library. We conduct our study on both IonQ's Aria trapped ion quantum computer hardware and the corresponding classical noisy simulator. We experimentally verify that a quantum kernel model can outperform some classical kernel models. The results highlight the potential of quantum kernel machine learning methods for accelerating materials discovery and suggest complex x-ray diffraction data is a candidate for robust quantum kernel model advantage.

Daiwei Zhu, Miguel Angel Lopez-Ruiz, François-Henry Rouet et al.

Solving large-scale sparse linear systems is a challenging computational task due to the introduction of non-zero elements, or "fill-in." The Graph Partitioning Problem (GPP) arises naturally when minimizing fill-in and accelerating solvers. In this paper, we measure the end-to-end performance of a hybrid quantum-classical framework designed to accelerate Finite Element Analysis (FEA) by integrating a quantum solver for GPP into Synopsys/Ansys' LS-DYNA multiphysics simulation software. The quantum solver we use is based on Iterative-QAOA, a scalable, non-variational quantum approach for optimization. We focus on two specific classes of FEA problems, namely vibrational (eigenmode) analysis and transient simulation. We report numerical simulations on up to 150 qubits done on NVIDIA's CUDA-Q/cuTensorNet and implementation on IonQ's Forte quantum hardware. The potential impact on LS-DYNA workflows is quantified by measuring the wall-clock time-to-solution for complex problem instances, including vibrational analysis of large finite element models of a sedan car and a Rolls-Royce jet engine, as well as transient simulations of a drill and an impeller. We performed end-to-end performance measurements on meshes comprising up to 35 million elements. Measurements were conducted using LS-DYNA in distributed-memory mode via Message Passing Interface (MPI) on AWS and Synopsys compute clusters. Our findings indicate that with a quantum computer in the loop, amortized LS-DYNA wall-clock time can be improved by up to 15% for specific cases and by at least 7% for all models considered. These results highlight the significant potential of quantum computing to reduce time-to-solution for large-scale FEA simulations within the Noisy Intermediate-Scale Quantum (NISQ) era, offering an approach that is scalable and extendable into the fault-tolerant quantum computing regime.