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We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

High Energy Physics - Phenomenology · Physics 2024-07-12 Tobias Golling , Lukas Heinrich , Michael Kagan , Samuel Klein , Matthew Leigh , Margarita Osadchy , John Andrew Raine

Foundation models are multi-dataset and multi-task machine learning methods that once pre-trained can be fine-tuned for a large variety of downstream applications. The successful development of such general-purpose models for physics data…

High Energy Physics - Phenomenology · Physics 2024-09-10 Joschka Birk , Anna Hallin , Gregor Kasieczka

Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally…

Machine Learning · Computer Science 2026-03-16 Helen Qu , Rudy Morel , Michael McCabe , Alberto Bietti , François Lanusse , Shirley Ho , Yann LeCun

In this work, we significantly enhance masked particle modeling (MPM), a self-supervised learning scheme for constructing highly expressive representations of unordered sets relevant to developing foundation models for high-energy physics.…

High Energy Physics - Phenomenology · Physics 2024-10-02 Matthew Leigh , Samuel Klein , François Charton , Tobias Golling , Lukas Heinrich , Michael Kagan , Inês Ochoa , Margarita Osadchy

Future AI-based studies in particle physics will likely start from a foundation model to accelerate training and enhance sensitivity. As a step towards a general-purpose foundation model for particle physics, we investigate whether the…

High Energy Physics - Experiment · Physics 2026-04-15 Gregor Krzmanc , Vinicius Mikuni , Benjamin Nachman , Callum Wilkinson

High-performance machine learning tools in particle physics rest on two complementary directions: encoding symmetries explicitly in the architecture, and implicitly learning the structure of the data through large-scale (pre-) training. We…

High Energy Physics - Phenomenology · Physics 2026-03-23 Victor Breso-Pla , Kevin Greif , Vinicius Mikuni , Benjamin Nachman , Tilman Plehn , Tanvi Wamorkar , Daniel Whiteson

Recently, a noticeable trend has emerged in developing pre-trained foundation models in the domains of CV and NLP. However, for molecular pre-training, there lacks a universal model capable of effectively applying to various categories of…

Biomolecules · Quantitative Biology 2024-05-21 Shikun Feng , Yuyan Ni , Minghao Li , Yanwen Huang , Zhi-Ming Ma , Wei-Ying Ma , Yanyan Lan

Foundation models in healthcare have largely adopted self supervised pretraining objectives inherited from natural language processing and computer vision, emphasizing reconstruction and large scale representation learning prior to…

Machine Learning · Computer Science 2026-03-24 Yang Zhang , Li Fan , Samuel Lawrence , Shi Li

Machine learning models of vastly different modalities and architectures are being trained to predict the behavior of molecules, materials, and proteins. However, it remains unclear whether they learn similar internal representations of…

Machine Learning · Computer Science 2025-12-04 Sathya Edamadaka , Soojung Yang , Ju Li , Rafael Gómez-Bombarelli

We propose a unified point cloud video self-supervised learning framework for object-centric and scene-centric data. Previous methods commonly conduct representation learning at the clip or frame level and cannot well capture fine-grained…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Xiaoxiao Sheng , Zhiqiang Shen , Gang Xiao , Longguang Wang , Yulan Guo , Hehe Fan

Self-supervision is one of the hallmarks of representation learning in the increasingly popular suite of foundation models including large language models such as BERT and GPT-3, but it has not been pursued in the context of multivariate…

Machine Learning · Computer Science 2024-02-05 Xiao Shou , Dharmashankar Subramanian , Debarun Bhattacharjya , Tian Gao , Kristin P. Bennet

The task of reconstructing particles from low-level detector response data to predict the set of final state particles in collision events represents a set-to-set prediction task requiring the use of multiple features and their correlations…

Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…

Chemical Physics · Physics 2022-11-28 Haoyan Huo , Matthias Rupp

The Platonic Representation Hypothesis claims that recent foundation models are converging to a shared representation space as a function of their downstream task performance, irrespective of the objectives and data modalities used to train…

Computer Vision and Pattern Recognition · Computer Science 2025-06-05 Laure Ciernik , Lorenz Linhardt , Marco Morik , Jonas Dippel , Simon Kornblith , Lukas Muttenthaler

How to represent a jet is at the core of machine learning on jet physics. Inspired by the notion of point clouds, we propose a new approach that considers a jet as an unordered set of its constituent particles, effectively a "particle…

High Energy Physics - Phenomenology · Physics 2020-03-31 Huilin Qu , Loukas Gouskos

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Machine Learning · Computer Science 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represented by a 3D conformation with 3-dimensional coordinates of…

Machine Learning · Computer Science 2022-07-20 Jinhua Zhu , Yingce Xia , Lijun Wu , Shufang Xie , Tao Qin , Wengang Zhou , Houqiang Li , Tie-Yan Liu

We propose a framework to continuously learn object-centric representations for visual learning and understanding. Existing object-centric representations either rely on supervisions that individualize objects in the scene, or perform…

Computer Vision and Pattern Recognition · Computer Science 2022-04-05 Chuanyu Pan , Yanchao Yang , Kaichun Mo , Yueqi Duan , Leonidas Guibas

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical…

Machine Learning · Computer Science 2024-03-19 Yihao Xue , Eric Gan , Jiayi Ni , Siddharth Joshi , Baharan Mirzasoleiman

Representation learning becomes especially important for complex systems with multimodal data sources such as cameras or sensors. Recent advances in reinforcement learning and optimal control make it possible to design control algorithms on…

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