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The computational cost of traditional first-principles method quickly becomes prohibitively expensive as the number of atoms increases. This challenge is further amplified by the need to evaluate finite-temperature properties with Monte…

Materials Science · Physics 2025-08-13 Xianglin Liu , Kai Yang , Yongxiang Liu , Fanli Zhou , Dengdong Fan , Zongrui Pei , Pengxiang Xu , Yonghong Tian

The stochastic finite volume method offers an efficient one-pass approach for assessing uncertainty in hyperbolic conservation laws. Still, it struggles with the curse of dimensionality when dealing with multiple stochastic variables. We…

Numerical Analysis · Mathematics 2024-04-11 Steven Walton , Svetlana Tokareva , Gianmarco Manzini

Stochastic simulation models are generative models that mimic complex systems to help with decision-making. The reliability of these models heavily depends on well-calibrated input model parameters. However, in many practical scenarios,…

Methodology · Statistics 2024-11-11 Ziwei Su , Diego Klabjan

The study of quantum circuit simulation using classical computers is a key research topic that helps define the boundary of verifiable quantum advantage, solve quantum many-body problems, and inform development of quantum hardware and…

Quantum Physics · Physics 2026-02-05 Benjamin N. Miller , Peter K. Elgee , Jason R. Pruitt , Kevin C. Cox

The increasing penetration of renewable energy sources introduces significant uncertainty in power system operations, making traditional deterministic unit commitment approaches computationally expensive. This paper presents a machine…

Systems and Control · Electrical Eng. & Systems 2025-09-15 Amir Bahador Javadi , Amin Kargarian , Mort Naraghi-Pour

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Failure probability evaluation for complex physical and engineering systems governed by partial differential equations (PDEs) are computationally intensive, especially when high-dimensional random parameters are involved. Since standard…

Numerical Analysis · Mathematics 2019-08-06 Ke Li , Kejun Tang , Jinglai Li , Tianfan Wu , Qifeng Liao

We consider the problem of efficiently performing simulation and inference for stochastic kinetic models. Whilst it is possible to work directly with the resulting Markov jump process, computational cost can be prohibitive for networks of…

Computation · Statistics 2015-06-18 Chris Sherlock , Andrew Golightly , Colin Gillespie

Learning a medical image segmentation model is an inherently ambiguous task, as uncertainties exist in both images (noise) and manual annotations (human errors and bias) used for model training. To build a trustworthy image segmentation…

Image and Video Processing · Electrical Eng. & Systems 2023-08-17 Xinyu Bai , Wenjia Bai

We consider the problem of decomposing higher-order moment tensors, i.e., the sum of symmetric outer products of data vectors. Such a decomposition can be used to estimate the means in a Gaussian mixture model and for other applications in…

Numerical Analysis · Mathematics 2020-10-06 Samantha Sherman , Tamara G. Kolda

Classical simulation of quantum computation is necessary for studying the numerical behavior of quantum algorithms, as there does not yet exist a large viable quantum computer on which to perform numerical tests. Tensor network (TN)…

Modern technological advances have enabled an unprecedented amount of structured data with complex temporal dependence, urging the need for new methods to efficiently model and forecast high-dimensional tensor-valued time series. This paper…

Methodology · Statistics 2023-09-28 Di Wang , Yao Zheng , Guodong Li

Tensor networks are a class of algorithms aimed at reducing the computational complexity of high-dimensional problems. They are used in an increasing number of applications, from quantum simulations to machine learning. Exploiting data…

Numerical Analysis · Mathematics 2024-10-25 Melven Röhrig-Zöllner , Manuel Joey Becklas , Jonas Thies , Achim Basermann

Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…

Computational Physics · Physics 2026-02-16 Michael Kim , Wei Cai

This paper provides a new avenue for exploiting deep neural networks to improve physics-based simulation. Specifically, we integrate the classic Lagrangian mechanics with a deep autoencoder to accelerate elastic simulation of deformable…

Machine Learning · Computer Science 2021-02-23 Siyuan Shen , Yang Yin , Tianjia Shao , He Wang , Chenfanfu Jiang , Lei Lan , Kun Zhou

Low-rank tensor approximation approaches have become an important tool in the scientific computing community. The aim is to enable the simulation and analysis of high-dimensional problems which cannot be solved using conventional methods…

Numerical Analysis · Mathematics 2019-02-26 Patrick Gelß , Stefan Klus , Sebastian Matera , Christof Schütte

Predicting multiphysics dynamics is computationally expensive and challenging due to the severe coupling of multi-scale, heterogeneous physical processes. While neural surrogates promise a paradigm shift, the field currently suffers from an…

Constraining the Epoch of Reionization (EoR) with physically motivated simulations is hampered by the high cost of conventional parameter inference. We present an efficient emulator-based framework that dramatically reduces this bottleneck…

Instrumentation and Methods for Astrophysics · Physics 2026-03-06 Saptarshi Sarkar , Tirthankar Roy Choudhury

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

Tensor networks establish an adaptable framework for the emulation of quantum circuits. By partitioning exponentially large registers and gates into smaller tensors, this unlocks fast transformations through tensor algebra, and grants fine…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-13 Jakub Adamski , Oliver Thomson Brown