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Nanoparticles occur in various environments as a consequence of man-made processes, which raises concerns about their impact on the environment and human health. To allow for proper risk assessment, a precise and statistically relevant…

In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of systems in chemistry, physics and materials science. Different…

Chemical Physics · Physics 2021-07-09 Emir Kocer , Tsz Wai Ko , Jörg Behler

This paper collects and extends the lectures I gave at the "XXIV International Fall Workshop on Geometry and Physics" held in Zaragoza (Spain) August 31 - September 4, 2015. Within these lectures I review the formulation of Quantum…

Mathematical Physics · Physics 2016-10-13 Valter Moretti

The CERN-Latin-American School of High-Energy Physics is intended to give young physicists an introduction to the theoretical aspects of recent advances in elementary particle physics. These proceedings contain lectures on quantum field…

High Energy Physics - Phenomenology · Physics 2010-10-29 C. Grojean , M. Spiropulu

We generalize the particle-conserving dynamics method of de las Heras et al. [J. Phys. Condens. Matter: 28, 24404 (2016).] to binary mixtures and apply this to hard rods in one dimension. Considering the case of one species consisting of…

Soft Condensed Matter · Physics 2020-11-02 Thomas Schindler , René Wittmann , Joseph M. Brader

We consider a lifelong learning scenario in which a learner faces a neverending and arbitrary stream of facts and has to decide which ones to retain in its limited memory. We introduce a mathematical model based on the online learning…

Machine Learning · Computer Science 2022-01-13 Robi Bhattacharjee , Gaurav Mahajan

Prompt learning has emerged as an efficient and effective approach for transferring foundational Vision-Language Models (e.g., CLIP) to downstream tasks. However, current methods tend to overfit to seen categories, thereby limiting their…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Chen Xu , Yuhan Zhu , Guozhen Zhang , Haocheng Shen , Yixuan Liao , Xiaoxin Chen , Gangshan Wu , Limin Wang

The creation of unstable heavy particles at the Large Hadron Collider is the most direct way to address some of the deepest open questions in physics. Collisions typically produce variable-size sets of observed particles which have inherent…

High Energy Physics - Experiment · Physics 2022-07-26 Alexander Shmakov , Michael James Fenton , Ta-Wei Ho , Shih-Chieh Hsu , Daniel Whiteson , Pierre Baldi

The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable…

Machine learning (ML) is a subfield of artificial intelligence. The term applies broadly to a collection of computational algorithms and techniques that train systems from raw data rather than a priori models. ML techniques are now…

We demonstrate a smart laser-diffraction analysis technique for particle mixture identification. We retrieve information about the size, geometry, and ratio concentration of two-component heterogeneous particle mixtures with an efficiency…

Image and Video Processing · Electrical Eng. & Systems 2022-02-03 Arturo Villegas , Mario A. Quiroz-Juarez , Alfred U'Ren , Juan P. Torres , Roberto de J. Leon-Montiel

Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vision and natural language processing, its development in…

Computational Physics · Physics 2021-03-19 Jun Zhang , Yao-Kun Lei , Zhen Zhang , Junhan Chang , Maodong Li , Xu Han , Lijiang Yang , Yi Isaac Yang , Yi Qin Gao

We present a continuous formulation of machine learning, as a problem in the calculus of variations and differential-integral equations, in the spirit of classical numerical analysis. We demonstrate that conventional machine learning models…

Numerical Analysis · Mathematics 2020-10-02 Weinan E , Chao Ma , Lei Wu

Diffusion models have achieved remarkable success in generating high-quality images thanks to their novel training procedures applied to unprecedented amounts of data. However, training a diffusion model from scratch is computationally…

Machine Learning · Computer Science 2023-03-28 Michał Zając , Kamil Deja , Anna Kuzina , Jakub M. Tomczak , Tomasz Trzciński , Florian Shkurti , Piotr Miłoś

Deep neural networks are susceptible to catastrophic forgetting when trained on sequential tasks. Various continual learning (CL) methods often rely on exemplar buffers or/and network expansion for balancing model stability and plasticity,…

Machine Learning · Computer Science 2024-01-18 Depeng Li , Tianqi Wang , Junwei Chen , Qining Ren , Kenji Kawaguchi , Zhigang Zeng

Lecture given Thursday 22 October 1992 at a Mathematics-Computer Science Colloquium at the University of New Mexico. The lecture was videotaped; this is an edited transcript.

chao-dyn · Physics 2008-02-03 G. J. Chaitin

We introduce a novel particle-based algorithm for end-to-end training of latent diffusion models. We reformulate the training task as minimizing a free energy functional and obtain a gradient flow that does so. By approximating the latter…

Machine Learning · Statistics 2026-03-31 Tim Y. J. Wang , Juan Kuntz , O. Deniz Akyildiz

Energy-based modeling is a promising approach to unsupervised learning, which yields many downstream applications from a single model. The main difficulty in learning energy-based models with the "contrastive approaches" is the generation…

Machine Learning · Computer Science 2021-11-30 Kirill Neklyudov , Priyank Jaini , Max Welling

This work focuses on the training dynamics of one associative memory module storing outer products of token embeddings. We reduce this problem to the study of a system of particles, which interact according to properties of the data…

Machine Learning · Computer Science 2024-03-01 Vivien Cabannes , Berfin Simsek , Alberto Bietti

These lectures give a brief introduction to the Computer Algebra systems Reduce and Maple. The aim is to provide a systematic survey of most important commands and concepts. In particular, this includes a discussion of simplification…

Symbolic Computation · Computer Science 2007-05-23 Marc Toussaint
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