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The present overview of interacting particle systems on random graphs collects the notes of a mini-course given by the authors at the Brazilian School of Probability, 5--9 August 2024, in Salvador, Bahia, Brazil. The content is a personal…

Probability · Mathematics 2024-10-24 F. Capannoli , F. den Hollander

Chemistry research has both high material and computational costs to conduct experiments. Institutions thus consider chemical data to be valuable and there have been few efforts to construct large public datasets for machine learning.…

Machine Learning · Computer Science 2022-05-10 Wei Zhu , Jiebo Luo , Andrew White

Deep representation learning methods struggle with continual learning, suffering from both catastrophic forgetting of useful units and loss of plasticity, often due to rigid and unuseful units. While many methods address these two issues…

Machine Learning · Computer Science 2024-05-02 Mohamed Elsayed , A. Rupam Mahmood

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Robustly handling collisions between individual particles in a large particle-based simulation has been a challenging problem. We introduce particle merging-and-splitting, a simple scheme for robustly handling collisions between particles…

Graphics · Computer Science 2021-07-20 Nghia Truong , Cem Yuksel , Chakrit Watcharopas , Joshua A. Levine , Robert M. Kirby

Clustering of time series is a well-studied problem, with applications ranging from quantitative, personalized models of metabolism obtained from metabolite concentrations to state discrimination in quantum information theory. We consider a…

Optimization and Control · Mathematics 2025-08-22 Mengjia Niu , Xiaoyu He , Petr Ryšavý , Quan Zhou , Jakub Marecek

In this article, we consider a class of degenerate singular problems. The degeneracy is captured by the presence of a class of $p$-admissible weights, which may vanish or blow up near the origin. Further, the singularity is allowed to vary…

Analysis of PDEs · Mathematics 2023-04-28 Prashanta Garain

Machine-learning methods are nowadays of common use in the field of material science. For example, they can aid in optimizing the physicochemical properties of new materials, or help in the characterization of highly complex chemical…

Disordered Systems and Neural Networks · Physics 2022-11-29 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Serenah Rajaonson , Didier Bathellier , Emeric Bourasseau

We study the problem of unlearning datapoints from a learnt model. The learner first receives a dataset $S$ drawn i.i.d. from an unknown distribution, and outputs a model $\widehat{w}$ that performs well on unseen samples from the same…

Machine Learning · Computer Science 2021-07-23 Ayush Sekhari , Jayadev Acharya , Gautam Kamath , Ananda Theertha Suresh

Deep learning architectures exhibit a critical drop of performance due to catastrophic forgetting when they are required to incrementally learn new tasks. Contemporary incremental learning frameworks focus on image classification and object…

Computer Vision and Pattern Recognition · Computer Science 2019-09-18 Umberto Michieli , Pietro Zanuttigh

Many large scale problems in computational fluid dynamics such as uncertainty quantification, Bayesian inversion, data assimilation and PDE constrained optimization are considered very challenging computationally as they require a large…

Computational Physics · Physics 2020-04-22 Kjetil O. Lye , Siddhartha Mishra , Deep Ray

An efficient technique to simulate turbulent particle-laden flow at high mass loadings within the four-way coupled simulation regime is presented. The technique implements large eddy simulation, discrete phase simulation, a deterministic…

Fluid Dynamics · Physics 2017-09-13 Derrick O. Njobuenwu , Michael Fairweather

Continual Learning (CL) aims to enable models to continuously acquire new knowledge from a sequence of tasks with avoiding the forgetting of learned information. However, existing CL methods only rely on the parameters of the most recent…

Machine Learning · Computer Science 2025-10-24 Haomiao Qiu , Miao Zhang , Ziyue Qiao , Liqiang Nie

There are a number of diverging hypotheses about the neural text degeneration problem, i.e., generating repetitive and dull loops, which makes this problem both interesting and confusing. In this work, we aim to advance our understanding by…

Computation and Language · Computer Science 2023-10-17 Huayang Li , Tian Lan , Zihao Fu , Deng Cai , Lemao Liu , Nigel Collier , Taro Watanabe , Yixuan Su

High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research…

Plasma Physics · Physics 2025-10-14 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

In recent years, machine-learning methods have become increasingly important for the experiments at the Large Hadron Collider (LHC). They are utilised in everything from trigger systems to reconstruction and data analysis. The recent…

The study of dispersion of solid wastes through a porous media is important in order to estimate the ecological impact that, in particular, a radioactive solid waste could produce when it spreads in the soil. There are some models available…

Chemical Physics · Physics 2012-12-05 Estela Mayoral , Eduardo De La Cruz , Luis Carlos Longoria , Eduardo Nahmad-Achar

Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine…

Chemical Physics · Physics 2024-10-02 Fabian L. Thiemann , Niamh O'Neill , Venkat Kapil , Angelos Michaelides , Christoph Schran

We consider the problem of learning a manifold from a teacher's demonstration. Extending existing approaches of learning from randomly sampled data points, we consider contexts where data may be chosen by a teacher. We analyze learning from…

Machine Learning · Computer Science 2020-12-02 Pei Wang , Arash Givchi , Patrick Shafto

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging \emph{partially observable} setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires…

Machine Learning · Computer Science 2023-02-03 Fan Chen , Huan Wang , Caiming Xiong , Song Mei , Yu Bai