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In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and materials design. Recently, rapid advances in artificial…

Spectral measures arise in numerous applications such as quantum mechanics, signal processing, resonances, and fluid stability. Similarly, spectral decompositions (pure point, absolutely continuous and singular continuous) often…

Spectral Theory · Mathematics 2021-03-02 Matthew John Colbrook

Gaussian processes are a powerful class of non-linear models, but have limited applicability for larger datasets due to their high computational complexity. In such cases, approximate methods are required, for example, the recently…

Methodology · Statistics 2026-03-24 Soham Mukherjee , Manfred Claassen , Paul-Christian Bürkner

We study computable probably approximately correct (CPAC) learning, where learners are required to be computable functions. It had been previously observed that the Fundamental Theorem of Statistical Learning, which characterizes PAC…

Machine Learning · Computer Science 2025-11-05 David Kattermann , Lothar Sebastian Krapp

Graph combinatorial optimization (GCO) has attracted growing interest, as many NP-hard problems naturally admit graph formulations, yet their combinatorial explosion renders exact methods computationally intractable. Recent advances in…

Artificial Intelligence · Computer Science 2026-05-20 Franco Terranova , Guillermo Bernardez , Albert Cabellos-Aparicio , Nina Miolane , Abdelkader Lahmadi

Current algorithms for large-scale industrial optimization problems typically face a trade-off: they either require exponential time to reach optimal solutions, or employ problem-specific heuristics. To overcome these limitations, we…

Quantum Physics · Physics 2025-10-16 Matteo Vandelli , Francesco Ferrari , Daniele Dragoni

Sampling from the full posterior distribution of high-dimensional non-linear, non-Gaussian latent dynamical models presents significant computational challenges. While Particle Gibbs (also known as conditional sequential Monte Carlo) is…

Computation · Statistics 2025-03-05 Adrien Corenflos , Simo Särkkä

This paper investigates learning-augmented algorithms for smooth integer programs, covering canonical problems such as MAX-CUT and MAX-k-SAT. We introduce a framework that incorporates a predictive oracle to construct a linear surrogate of…

Data Structures and Algorithms · Computer Science 2026-02-04 Hao-Yuan He , Ming Li

General-purpose Computing on Graphics Processing Units (GPGPU) has been introduced to many areas of scientific research such as bioinformatics, cryptography, computer vision, and deep learning. However, computing models in the High-energy…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-23 Max Isacson , Mattias Ellert , Richard Brenner

Physically-inspired latent force models offer an interpretable alternative to purely data driven tools for inference in dynamical systems. They carry the structure of differential equations and the flexibility of Gaussian processes,…

Machine Learning · Computer Science 2022-01-25 Jacob D. Moss , Felix L. Opolka , Bianca Dumitrascu , Pietro Lió

As supercomputers' complexity has grown, the traditional boundaries between processor, memory, network, and accelerators have blurred, making a homogeneous computer model, in which the overall computer system is modeled as a continuous…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-10 Martin Karp , Niclas Jansson , Philipp Schlatter , Stefano Markidis

Multivariate partial fractioning is a powerful tool for simplifying rational function coefficients in scattering amplitude computations. Since current research problems lead to large sets of complicated rational functions, performance of…

High Energy Physics - Phenomenology · Physics 2022-12-19 Dominik Bendle , Janko Boehm , Murray Heymann , Rourou Ma , Mirko Rahn , Lukas Ristau , Marcel Wittmann , Zihao Wu , Yang Zhang

Pre-exascale High Performance Computers (HPC) can reach more than 400 Pflop/s real perfor-mance according the HPLinpack benchmarks. For nanoscience and quantum biology there are requirements for those program codes based on quantum physics…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-04 Mindaugas Macernis , Vaidotas Mickus , Janne Ahonen , Laurynas Diska , Jonas Franukevicius , Juozas Sulskus

Generalized Polynomial Chaos (gPC) expansions are well established for forward uncertainty propagation in many application areas. Although the associated computational effort may be reduced in comparison to Monte Carlo techniques, for…

Computational Engineering, Finance, and Science · Computer Science 2023-07-26 Niklas Georg , Ulrich Römer

Generative adversarial networks (GANs) are innovative techniques for learning generative models of complex data distributions from samples. Despite remarkable recent improvements in generating realistic images, one of their major…

Machine Learning · Computer Science 2018-11-05 Zinan Lin , Ashish Khetan , Giulia Fanti , Sewoong Oh

We propose a learning model called the quantum statistical learning QSQ model, which extends the SQ learning model introduced by Kearns to the quantum setting. Our model can be also seen as a restriction of the quantum PAC learning model:…

Quantum Physics · Physics 2020-11-26 Srinivasan Arunachalam , Alex B. Grilo , Henry Yuen

Gaussian processes (GPs) are flexible distributions over functions that enable high-level assumptions about unknown functions to be encoded in a parsimonious, flexible and general way. Although elegant, the application of GPs is limited by…

Machine Learning · Statistics 2017-10-06 Thang D. Bui , Josiah Yan , Richard E. Turner

The space nonlocal Allen-Cahn equation is a famous example of fractional reaction-diffusion equations. It is also an extension of the classical Allen-Cahn equation, which is widely used in physics to describe the phenomenon of two-phase…

Numerical Analysis · Mathematics 2025-02-05 Yuxin Zhang , Hengfei Ding

Function approximation is a generic process in a variety of computational problems, from data interpolation to the solution of differential equations and inverse problems. In this work, a unified approach for such techniques is…

Numerical Analysis · Mathematics 2019-10-01 Nikolaos P. Bakas

Gaussian processes scale prohibitively with the size of the dataset. In response, many approximation methods have been developed, which inevitably introduce approximation error. This additional source of uncertainty, due to limited…

Machine Learning · Computer Science 2023-10-11 Jonathan Wenger , Geoff Pleiss , Marvin Pförtner , Philipp Hennig , John P. Cunningham