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DOE OSTI2025

A Game-Theoretic Quantum Algorithm for Solving Magic Squares

Variational quantum algorithms (VQAs) offer a promising near-term approach to finding optimal quantum strategies for playing non-local games. These games test quantum correlations beyond classical limits and enable entanglement verification. In this work, we present a variational framework for the Magic Square Game (MSG), a two-player non-local game with perfect quantum advantage. We construct a value Hamiltonian that encodes the game’s parity and consistency constraints, then optimize parameterize quantum circuits to minimize this cost. Our approach build on the stabilizer formalism, leverages commutation structure for circuit design, and is hardware-efficient. Compared to existing work, our contribution emphasizes algebraic structure an interpretability. We validate our method through numerical experiments and outline generalizations to larger games.

Chehade, Sarah [ORNL]↗

DOE OSTI2025

LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators

Large Language Models (LLMs) have propelled groundbreaking advancements across several domains and are commonly used for text generation applications. However, the computational demands of these complex models pose significant challenges, requiring efficient hardware acceleration. Benchmarking the performance of LLMs across diverse hardware platforms is crucial to understanding their scalability and throughput characteristics. We introduce LLM-Inference-Bench, a comprehensive benchmarking suite to evaluate the hardware inference performance of LLMs. We thoroughly analyze diverse hardware platforms, including GPUs from Nvidia and AMD and specialized AI accelerators, Intel Habana and SambaNova. Our evaluation includes several LLM inference frameworks and models from LLaMA, Mistral, and Qwen families with 7B and 70B parameters. Our benchmarking results reveal the strengths and limitations of various models, hardware platforms, and inference frameworks. We provide an interactive dashboard to help identify configurations for optimal performance for a given hardware platform.

Chitty-Venkata, Krishna Teja↗

DOE OSTI2024

Distributionally Robust Variational Quantum Algorithms With Shifted Noise

Given their potential to demonstrate near-term quantum advantage, variational quantum algorithms (VQAs) have been extensively studied. Although numerous techniques have been developed for VQA parameter optimization, it remains a significant challenge. A practical issue is the high sensitivity of quantum noise to environmental changes, and its propensity to shift in real time. This presents a critical problem as an optimized VQA ansatz may not perform effectively under a different noise environment. For the first time, we explore how to optimize VQA parameters to be robust against unknown shifted noise. We model the noise level as a random variable with an unknown probability density function (PDF), and we assume that the PDF may shift within an uncertainty set. This assumption guides us to formulate a distributionally robust optimization problem, with the goal of finding parameters that maintain effectiveness under shifted noise. We utilize a distributionally robust Bayesian optimization solver for our proposed formulation. This provides numerical evidence in both the Quantum Approximate Optimization Algorithm (QAOA) and the Variational Quantum Eigensolver (VQE) with hardware-efficient ansatz, indicating that we can identify parameters that perform more robustly under shifted noise. We regard this work as the first step towards improving the reliability of VQAs influenced by real-time noise.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Quantum optimization of maximum independent set using Rydberg atom arrays

Realizing quantum speedup for practically relevant, computationally hard problems is a central challenge in quantum information science. Using Rydberg atom arrays with up to 289 qubits in two spatial dimensions, we experimentally investigate quantum algorithms for solving the maximum independent set problem. We use a hardware-efficient encoding associated with Rydberg blockade, realize closed-loop optimization to test several variational algorithms, and subsequently apply them to systematically explore a class of graphs with programmable connectivity. We find that the problem hardness is controlled by the solution degeneracy and number of local minima, and we experimentally benchmark the quantum algorithm’s performance against classical simulated annealing. On the hardest graphs, we observe a superlinear quantum speedup in finding exact solutions in the deep circuit regime and analyze its origins.

Science & Technology - Other Topics↗

DOE OSTI2022

CAFQA: A Classical Simulation Bootstrap for Variational Quantum Algorithms

Classical computing plays a critical role in the advancement of quantum frontiers in the NISQ era. In this spirit, this work uses classical simulation to bootstrap Variational Quantum Algorithms (VQAs). VQAs rely upon the iterative optimization of a parameterized unitary circuit (ansatz) with respect to an objective function. Since quantum machines are noisy and expensive resources, it is imperative to classically choose the VQA ansatz initial parameters to be as close to optimal as possible to improve VQA accuracy and accelerate their convergence on today’s devices. This work tackles the problem of finding a good ansatz initialization, by proposing CAFQA, a Clifford Ansatz For Quantum Accuracy. The CAFQA ansatz is a hardware-efficient circuit built with only Clifford gates. In this ansatz, the parameters for the tunable gates are chosen by searching efficiently through the Clifford parameter space via classical simulation. The resulting initial states always equal or outperform traditional classical initialization (e.g., Hartree-Fock), and enable high-accuracy VQA estimations. CAFQA is well-suited to classical computation because: a) Clifford-only quantum circuits can be exactly simulated classically in polynomial time, and b) the discrete Clifford space is searched efficiently via Bayesian Optimization. For the Variational Quantum Eigensolver (VQE) task of molecular ground state energy estimation (up to 18 qubits), CAFQA’s Clifford Ansatz achieves a mean accuracy of nearly 99% and recovers as much as 99.99% of the molecular correlation energy that is lost in Hartree-Fock initialization. CAFQA achieves mean accuracy improvements of 6.4x and 56.8x, over the state-of-the-art, on different metrics. Here, the scalability of the approach allows for preliminary ground state energy estimation of the challenging chromium dimer (Cr2) molecule. With CAFQA’s high-accuracy initialization, the convergence of VQAs is shown to accelerate by 2.5x, even for small molecules. Furthermore, preliminary exploration of allowing a limited number of non-Clifford (T) gates in the CAFQA framework, shows that as much as 99.9% of the correlation energy can be recovered at bond lengths for which Clifford-only CAFQA accuracy is relatively limited, while remaining classically simulable.

bayesian optimization↗

DOE OSTI2025

AI-Powered Knowledge Graphs for Neuromorphic and Energy-Efficient Computing

The surge in scientific literature obscures breakthroughs and hinders the discovery of new research paths. We propose an artificial intelligence (AI) powered framework using large language models (LLMs) and knowledge graphs (KGs) to automate parts of scientific discovery, focusing on energy-efficient AI circuits. Our hybrid approach combines LLMs, structured data, and ontology-based reasoning to construct a comprehensive knowledge graph that integrates insights across computational neuroscience, spiking neuron models, learning rules, architectural motifs, and neuromorphic device technologies. This multi-domain representation enables the generation of hypotheses that connect biological function with implementable, energy-efficient hardware architectures. Using KG embeddings and graph neural networks, the framework generates hypotheses for novel circuits, validates them through optimization on exascale HPC systems, and with tools like SuperNeuro and Fugu, the most promising designs will be prototyped in hardware. This open-source system aims to accelerate discoveries and bridging neuroscience with hardware innovation, drive collaboration, and unlock new opportunities in low-power AI computing.

Gautam, Ashish [ORNL]↗

DOE OSTI2023

Green Computing Opportunities & Strategy

Computation is critical to emerging fields of data intensive research, enabling new methodologies, approaches and tools. As the rate of hardware efficiency gains slows, computational time and energy costs increase. To match pace with computation demand, new approaches are needed to keep the opportunity for impact open. Charles Tripp, lead of the Green Computing Catalyzer, discusses research efforts to improve software efficiency to enable faster, less energy-intensive computing.

algorithmic efficiency↗

DOE OSTI2025

Fast Sideband Control of a Weakly Coupled Multimode Bosonic Memory

Circuit quantum electrodynamics (cQED) with superconducting cavities coupled to nonlinear circuits like transmons offers a promising platform for hardware-efficient quantum information processing. We address critical challenges in realizing this architecture by weakening the dispersive coupling while also demonstrating fast, high-fidelity multimode control by dynamically amplifying gate speeds through transmon-mediated sideband interactions. This approach enables transmon-cavity SWAP gates, for which we achieve speeds up to 30 times larger than the bare dispersive coupling. Combined with transmon rotations, this allows for efficient, universal state preparation in a single cavity mode, though achieving unitary gates and extending control to multiple modes remains a challenge. In this work, we overcome this by introducing two sideband control strategies: (1) a shelving technique that prevents unwanted transitions by temporarily storing populations in sideband-transparent transmon states and (2) a method that exploits the dispersive shift to synchronize sideband transition rates across chosen photon-number pairs to implement transmon-cavity SWAP gates that are selective on photon number. We leverage these protocols to prepare Fock and binomial code states across any of ten modes of a multimode cavity with millisecond cavity coherence times. We demonstrate the encoding of a qubit from a transmon into arbitrary vacuum and Fock state superpositions, as well as entangled NOON states of cavity mode pairs— a scheme extendable to arbitrary multimode Fock encodings. Furthermore, we implement a new binomial encoding gate that converts arbitrary transmon superpositions into binomial code states in $\qty{4}{\micro\second}$ (less than $1/\chi$), achieving an average post-selected final state fidelity of $\qty{96.3}{\percent}$ across different fiducial input states.

Huang, Jordan [Rutgers U., Piscataway]↗

DOE OSTI2026

Dynamically suppressing cavity dephasing induced by frequency fluctuations of a coupled nonlinear mode

High-coherence superconducting cavities offer a promising platform for quantum information, with long coherence times and negligible intrinsic dephasing. However, cavity control generally relies on nonlinear Josephson elements whose frequency fluctuations are inherited by the cavity as dephasing, potentially limiting control fidelities and eroding the noise bias used in error-correction protocols. Here, we introduce Stark-Assisted Flux-noise Evasion (SAFE), a hardware-efficient protocol that protects the cavity from inherited dephasing using only a weak off-resonant microwave drive applied to the nonlinear element. As a concrete setup, we analyze a 3D superconducting cavity dispersively coupled to a flux-tunable transmon (FTT) subject to $1/f$ flux noise. Analytical predictions are confirmed by Monte Carlo simulations with realistic parameters, which show that SAFE can extend the cavity dephasing time by more than an order of magnitude while keeping residual drive-induced decoherence subdominant.

Lu, Yunwei [Northwestern U.] (ORCID:00000003401756↗

DOE OSTI2023

Hardware-in-the-Loop Efficiency Analysis of Tidal Power Systems

Marine renewable energy presents an opportunity for sustainable power in areas located near and in the marine environment. In particular, tidal energy offers a consistent and reliable resource. However, tidal energy harvesting systems seeking to take advantage of this resource face challenges associated with power electronics. Power conversion electronics struggle with low efficiencies, lack of off-the-shelf options for small-scale energy harvesting systems, and limited opportunities for testing with deployed turbines. This work demonstrates a hardware-in-the-loop experimental design and methodology for characterizing efficiency of tidal turbine power electronics and control methods. The suggested method removes barriers to testing these power electronics by eliminating the need for a physical tidal turbine and generator to produce accurate harvested tidal power profiles.

tidal turbine, hardware-in-the-loop, energy conver↗

DOE OSTI2023

Integration of Ag-CBRAM crossbars and Mott ReLU neurons for efficient implementation of deep neural networks in hardware

In-memory computing with emerging non-volatile memory devices (eNVMs) has shown promising results in accelerating matrix-vector multiplications. However, activation function calculations are still being implemented with general processors or large and complex neuron peripheral circuits. Here, we present the integration of Ag-based conductive bridge random access memory (Ag-CBRAM) crossbar arrays with Mott rectified linear unit (ReLU) activation neurons for scalable, energy and area-efficient hardware (HW) implementation of deep neural networks. We develop Ag-CBRAM devices that can achieve a high ON/OFF ratio and multi-level programmability. Compact and energy-efficient Mott ReLU neuron devices implementing ReLU activation function are directly connected to the columns of Ag-CBRAM crossbars to compute the output from the weighted sum current. We implement convolution filters and activations for VGG-16 using our integrated HW and demonstrate the successful generation of feature maps for CIFAR-10 images in HW. Our approach paves a new way toward building a highly compact and energy-efficient eNVMs-based in-memory computing system.

Mott insulators↗

DOE OSTI2023

Differentiable Neural Architecture, Mixed Precision and Accelerator Co-Search

Quantization, effective Neural Network architecture, and efficient accelerator hardware are three important design paradigms to maximize accuracy and efficiency. Mixed Precision Quantization is a process of assigning different precision to different Neural Network layers for optimized inference. Neural Architecture Search (NAS) is a process of automatically designing the neural network for a task and can also be extended to search for the precision of each weight and activation matrix. In this paper, we develop the following three methods: (i) Fast Differentiable Hardware-aware Mixed Precision Quantization Search method to find optimal precision, (ii) Joint Differentiable hardware-aware Architecture and Mixed Precision Quantization Co-search, (iii) Joint Accelerator, Architecture, and Precision triple co-search to find best possibilities in all the three worlds. We demonstrate the effectiveness of our proposed methods targeting Bitfusion accelerator by searching mixed precision models on MobilenetV2. We achieve better accuracy-latency trade-off models than the manually designed and previously proposed search methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

ExaSGD: 2022 Kernel Thrust Activities

The Kernel Thrust milestone ADSE22-407 covers the development of device-capable optimization algorithms and solvers technologies required by the ExaSGD project’s software stack in order to solve security-constrained alternating current optimal power flow (SC-ACOPF) problems on emerging exascale architectures. To this extent, in FY22 the main objective of the Kernel Thrust was (i) provide sparse optimization solver that runs efficiently on hardware accelerator devices (i.e., NVIDIA and AMD GPUs) to perform intra-node computations, (ii) strengthen the reliability and increase the performance of the mixed-dense sparse (MDS) solver of HiOp for deployment on the FY22 target architectures, Summit and Crusher, and (iii) increase performance by improving the mathematical algorithm and refining the parallel MPI-based implementation of the coarse-grain parallel solver HiOp-PriDec for capabilities deployment on the FY22 target architectures, Summit and Crusher. This document presents the developments and contributions done by the Kernels Thrust Team in FY22 toward completion of the above-mentioned objectives. These contributions progressed along four main development (sub)thrusts: (1) Design and implementation of a sparse optimization solver for use on hardware accelerators; (2) Improvement of the mathematical algorithm and of the parallel implementation of HiOp-PriDec to ensure readiness and efficient coarse-grain parallelism for FY23 target exascale machine; and (3) Support Software and Application Development Thrusts of the exaSGD project in their deployment of the project’s software stack on AMD- and NVIDIA-based architectures. The development of the sparse optimization solver (thrust 1 above) was new in FY22 and resulted in a new sparse solver in HiOp (available as of version 0.6). The second development thrust was a continuation of the efforts from FY21 and improved the mathematical algorithm and the communication strategy of the HiOp-PriDec solver. The last developement thrust is a large collaborative effort. Namely, the project’s teams from multiple labs (LLNL, PNNL, ORNL, and NREL) performed large-scale demonstration of the ExaSGD software stack, namely the optimization solvers of HiOp interfaced with the modeling front-end ExaGO and the stochastic sampler PowerScenarios. These demonstration efforts solved large-scale instances of the SC-ACOPF challenge problem of medium network sizes (10, 000-bus system) and large number of contingencies on Summit (NVIDIA accelerators) and Crusher (AMD accelerators) systems at ORNL.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

A Survey: Handling Irregularities in Neural Network Acceleration with FPGAs

In the last decade, Artificial Intelligence (AI) through Deep Neural Networks (DNNs) has penetrated virtually every aspect of science, technology, and business. Many types of DNNs have been and continue to be developed, including Convolutional Neural Networks (CNNs), Recurrent Neural Net- works (RNNs), and Graph Neural Networks (GNNs). The overall problem for all of these Neural Networks (NNs) is that their target applications generally pose stringent constraints on latency and throughput, while also having strict accuracy requirements. There have been many previous efforts in creating hardware to accelerate NNs. The problem designers face is that optimal NN models typically have significant irregularities, making them hardware-unfriendly. In this paper, we first define the problems in NN acceleration by characterizing common irregularities in NN processing into 4 types; then we summarize the existing works that handle the four types of irregularities efficiently using hardware, especially FPGAs; finally, we provide a new vision of next-generation FPGA-based NN acceleration: that the emerging heterogeneity in the next-generation FPGAs is the key to achieving higher performance.

Geng, Tong↗

DOE OSTI2025

Solving sparse finite element problems on neuromorphic hardware

The finite element method (FEM) is one of the most important and ubiquitous numerical methods for solving partial differential equations (PDEs) on computers for scientific and engineering discovery. Applying the FEM to larger and more detailed scientific models has driven advances in high-performance computing for decades. Here we demonstrate that scalable spiking neuromorphic hardware can directly implement the FEM by constructing a spiking neural network that solves the large, sparse, linear systems of equations at the core of the FEM. We show that for the Poisson equation, a fundamental PDE in science and engineering, our neural circuit achieves meaningful levels of numerical accuracy and close to ideal scaling on modern, inherently parallel and energy-efficient neuromorphic hardware, specifically Intel’s Loihi 2 neuromorphic platform. We illustrate extensions to irregular mesh geometries in both two and three dimensions as well as other PDEs such as linear elasticity. Our spiking neural network is constructed from a recurrent network model of the brain’s motor cortex and, in contrast to black-box deep artificial neural network-based methods for PDEs, directly translates the well-understood and trusted mathematics of the FEM to a natively spiking neuromorphic algorithm.

Applied mathematics↗

DOE OSTI2025

LuGo: An enhanced quantum phase estimation implementation

Quantum Phase Estimation (QPE) is a cardinal algorithm in quantum computing that plays a crucial role in various applications, including cryptography, molecular simulation, and solving systems of linear equations. However, the standard implementation of QPE faces challenges related to time complexity and circuit depth, which limit its practicality for large-scale computations. We introduce LuGo, a novel framework designed to enhance the performance of QPE by reducing circuit duplication, as well as using parallelization techniques to achieve faster generation of the QPE circuit and gate reduction. We validate the effectiveness of our framework by generating quantum linear solver circuits, which require both QPE and inverse QPE, to solve linear systems of equations. LuGo achieves significant improvements in both computational efficiency and hardware requirements without compromising on accuracy. Compared to a standard QPE implementation, LuGo reduces time consumption to generate a circuit that solves a 2 6 × 2 6 system matrix by a factor of 50.68 and over 31× reduction of quantum gates and circuit depth, with no fidelity loss on an ideal quantum simulator. Furthermore, we demonstrated the versatility and scalability of LuGo enabled HHL algorithm by simulating a canonical Hele-Shaw fluid problem using a quantum simulator. With these advantages, LuGo paves the way for more efficient implementations of QPE, enabling broader applications across several quantum computing domains.

Quantum algorithm↗

DOE OSTI2023

Efficient human activity recognition with spatio-temporal spiking neural networks

In this study, we explore Human Activity Recognition (HAR), a task that aims to predict individuals' daily activities utilizing time series data obtained from wearable sensors for health-related applications. Although recent research has predominantly employed end-to-end Artificial Neural Networks (ANNs) for feature extraction and classification in HAR, these approaches impose a substantial computational load on wearable devices and exhibit limitations in temporal feature extraction due to their activation functions. To address these challenges, we propose the application of Spiking Neural Networks (SNNs), an architecture inspired by the characteristics of biological neurons, to HAR tasks. SNNs accumulate input activation as presynaptic potential charges and generate a binary spike upon surpassing a predetermined threshold. This unique property facilitates spatio-temporal feature extraction and confers the advantage of low-power computation attributable to binary spikes. We conduct rigorous experiments on three distinct HAR datasets using SNNs, demonstrating that our approach attains competitive or superior performance relative to ANNs, while concurrently reducing energy consumption by up to 94%.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Optical neural engine for solving scientific partial differential equations

Abstract Solving partial differential equations (PDEs) is the cornerstone of scientific research and development. Data-driven machine learning (ML) approaches are emerging to accelerate time-consuming and computation-intensive numerical simulations of PDEs. Although optical systems offer high-throughput and energy-efficient ML hardware, their demonstration for solving PDEs is limited. Here, we present an optical neural engine (ONE) architecture combining diffractive optical neural networks for Fourier space processing and optical crossbar structures for real space processing to solve time-dependent and time-independent PDEs in diverse disciplines, including Darcy flow equation, the magnetostatic Poisson’s equation in demagnetization, the Navier-Stokes equation in incompressible fluid, Maxwell’s equations in nanophotonic metasurfaces, and coupled PDEs in a multiphysics system. We numerically and experimentally demonstrate the capability of the ONE architecture, which not only leverages the advantages of high-performance dual-space processing for outperforming traditional PDE solvers and being comparable with state-of-the-art ML models but also can be implemented using optical computing hardware with unique features of low-energy and highly parallel constant-time processing irrespective of model scales and real-time reconfigurability for tackling multiple tasks with the same architecture. The demonstrated architecture offers a versatile and powerful platform for large-scale scientific and engineering computations.

Tang, Yingheng (ORCID:0009000153622546)↗