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In this paper, authors focus effort on improving the conventional discrete velocity method (DVM) into a multiscale scheme in finite volume framework for gas flow in all flow regimes. Unlike the typical multiscale kinetic methods unified…

Computational Physics · Physics 2020-03-24 Ruifeng Yuan , Sha Liu , Chengwen Zhong

Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using…

The free energy landscapes of several fundamental processes are characterized by high barriers separating long-lived metastable states. In order to explore these type of landscapes enhanced sampling methods are used. While many such methods…

Chemical Physics · Physics 2019-04-12 Jayashrita Debnath , Michele Invernizzi , Michele Parrinello

Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an…

Computational Physics · Physics 2019-11-06 Federico Giberti , Bingqing Cheng , Gareth Aneurin Tribello , Michele Ceriotti

Multilevel optimization has gained renewed interest in machine learning due to its promise in applications such as hyperparameter tuning and continual learning. However, existing methods struggle with the inherent difficulty of efficiently…

Machine Learning · Computer Science 2024-10-16 Yuntian Gu , Xuzheng Chen

We present an efficient method for joint optimization of topology, materials and lighting from multi-view image observations. Unlike recent multi-view reconstruction approaches, which typically produce entangled 3D representations encoded…

Computer Vision and Pattern Recognition · Computer Science 2023-04-12 Jacob Munkberg , Jon Hasselgren , Tianchang Shen , Jun Gao , Wenzheng Chen , Alex Evans , Thomas Müller , Sanja Fidler

Achieving invariance to nuisance transformations is a fundamental challenge in the construction of robust and reliable vision systems. Existing approaches to invariance scale exponentially with the dimension of the family of…

Computer Vision and Pattern Recognition · Computer Science 2022-03-11 Sam Buchanan , Jingkai Yan , Ellie Haber , John Wright

Parameter estimation via unbinned maximum likelihood fits is a central technique in particle physics. This article introduces MoreFit, which aims to provide a more optimised, rapid and efficient fitting solution for unbinned maximum…

Data Analysis, Statistics and Probability · Physics 2026-02-05 Christoph Langenbruch

A variational method is used to derive a self-consistent macro-particle model for relativistic electromagnetic kinetic plasma simulations. Extending earlier work [E. G. Evstatiev and B. A. Shadwick, J. Comput. Phys., vol. 245, pp. 376-398,…

Computational Physics · Physics 2014-04-22 A. B. Stamm , B. A. Shadwick , E. G. Evstatiev

Distribution Matching Distillation (DMD) distills score-based generative models into efficient one-step generators, without requiring a one-to-one correspondence with the sampling trajectories of their teachers. Yet, the limited capacity of…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Xiangyu Fan , Zesong Qiu , Zhuguanyu Wu , Fanzhou Wang , Zhiqian Lin , Tianxiang Ren , Dahua Lin , Ruihao Gong , Lei Yang

Although nearly 20 years have passed since its conception, the feasibility pump algorithm remains a widely used heuristic to find feasible primal solutions to mixed-integer linear problems. Many extensions of the initial algorithm have been…

Optimization and Control · Mathematics 2024-11-07 Matteo Cacciola , Alexandre Forel , Antonio Frangioni , Andrea Lodi

Phase is a fundamental resource for optical imaging but cannot be directly observed with intensity measurements. The existing methods to quantify a phase distribution rely on complex devices and structures. Here we experimentally…

Optics · Physics 2020-03-25 Tengfeng Zhu , Junyi Huang , Zhichao Ruan

Recognizing text in the wild is a really challenging task because of complex backgrounds, various illuminations and diverse distortions, even with deep neural networks (convolutional neural networks and recurrent neural networks). In the…

Computer Vision and Pattern Recognition · Computer Science 2017-10-11 Chun Yang , Xu-Cheng Yin , Zejun Li , Jianwei Wu , Chunchao Guo , Hongfa Wang , Lei Xiao

We present a novel computational paradigm for process design in manufacturing processes that incorporates simulation responses to optimize manufacturing process parameters in high-dimensional temporal and spatial design spaces. We developed…

Computational Engineering, Finance, and Science · Computer Science 2021-07-26 Mojtaba Mozaffar , Jian Cao

In response to the development of recent efficient dense layers, this paper shows that something as simple as replacing linear components in pointwise convolutions with structured linear decompositions also produces substantial gains in the…

Machine Learning · Statistics 2019-06-04 Gavin Gray , Elliot J. Crowley , Amos Storkey

This paper is concerned with probabilistic techniques for forecasting dynamical systems described by partial differential equations (such as, for example, the Navier-Stokes equations). In particular, it is investigating and comparing…

Machine Learning · Computer Science 2025-11-07 Hans Harder , Abhijeet Vishwasrao , Luca Guastoni , Ricardo Vinuesa , Sebastian Peitz

Iterative optimization algorithms depend on access to information about the objective function. In a differentiable programming framework, this information, such as gradients, can be automatically derived from the computational graph. We…

Optimization and Control · Mathematics 2025-07-08 Vincent Roulet , Siddhartha Srinivasa , Maryam Fazel , Zaid Harchaoui

Recent advances show that neural networks embedded with physics-informed priors significantly outperform vanilla neural networks in learning and predicting the long term dynamics of complex physical systems from noisy data. Despite this…

Machine Learning · Computer Science 2021-10-04 Shaan Desai , Marios Mattheakis , Stephen Roberts

In the field of computational physics and material science, the efficient sampling of rare events occurring at atomic scale is crucial. It aids in understanding mechanisms behind a wide range of important phenomena, including protein…

Machine Learning · Computer Science 2024-01-17 Xinru Hua , Rasool Ahmad , Jose Blanchet , Wei Cai

In this paper, we explore the graph partitioning problem, a pivotal combina-torial optimization challenge with extensive applications in various fields such as science, technology, and business. Recognized as an NP-hard prob-lem, graph…

Machine Learning · Computer Science 2023-12-13 Vivek Chaudhary
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