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We design two classes of ultra-fast meta-solvers for linear systems arising after discretizing PDEs by combining neural operators with either simple iterative solvers, e.g., Jacobi and Gauss-Seidel, or with Krylov methods, e.g., GMRES and…
Krylov methods are a key way of solving large sparse linear systems of equations, but suffer from poor strong scalabilty on distributed memory machines. This is due to high synchronization costs from large numbers of collective…
The efficient solution of discretisations of coupled systems of partial differential equations (PDEs) is at the core of much of numerical simulation. Significant effort has been expended on scalable algorithms to precondition Krylov…
Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…
Attaining a quantum speedup in solving practically useful optimization problems has been one of the holy grails in the field of quantum computing. While prior approaches have demonstrated speedups for certain structured problem classes,…
In this work, we introduce a new qubit mapping strategy for the Variational Quantum Eigensolver (VQE) applied to nuclear shell model calculations, where each Slater determinant (SD) is mapped to a qubit, rather than assigning qubits to…
We provide an integration of the universal, perturbative explicitly correlated [2]$_\text{R12}$-correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the underlying…
Learning neural operators for solving partial differential equations (PDEs) has attracted great attention due to its high inference efficiency. However, training such operators requires generating a substantial amount of labeled data, i.e.,…
We present and release in open source format a sparse linear solver which efficiently exploits heterogeneous parallel computers. The solver can be easily integrated into scientific applications that need to solve large and sparse linear…
Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…
The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the…
We use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and…
The multigroup neutron transport equations has been widely used to study the interactions of neutrons with their background materials in nuclear reactors. High-resolution simulations of the multigroup neutron transport equations using…
Most efficient linear solvers use composable algorithmic components, with the most common model being the combination of a Krylov accelerator and one or more preconditioners. A similar set of concepts may be used for nonlinear algebraic…
The QR algorithm is one of the three phases in the process of computing the eigenvalues and the eigenvectors of a dense nonsymmetric matrix. This paper describes a task-based QR algorithm for reducing an upper Hessenberg matrix to real…
Fast, scalable decoding architectures that operate in a block-wise parallel fashion across space and time are essential for real-time fault-tolerant quantum computing. We introduce a scalable AI-based pre-decoder for the surface code that…
Denoising diffusion models (DDMs) have emerged as a powerful class of generative models. A forward diffusion process slowly perturbs the data, while a deep model learns to gradually denoise. Synthesis amounts to solving a differential…
We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…
Iterative algorithms are instrumental in modern numerical simulation for solving systems arising from the discretization of PDEs. They face however significant challenges in industrial applications, such as slow convergence, limit cycle…
In this paper, we present a data-driven approach to iteratively solve the discrete heterogeneous Helmholtz equation at high wavenumbers. In our approach, we combine classical iterative solvers with convolutional neural networks (CNNs) to…