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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

Active inference is a theory that underpins the way biological agent's perceive and act in the real world. At its core, active inference is based on the principle that the brain is an approximate Bayesian inference engine, building an…

Artificial Intelligence · Computer Science 2020-03-09 Ozan Çatal , Samuel Wauthier , Tim Verbelen , Cedric De Boom , Bart Dhoedt

The recent development of foundation models for time series data has generated considerable interest in using such models across a variety of applications. Although foundation models achieve state-of-the-art predictive performance, their…

Machine Learning · Computer Science 2026-05-29 Coen Adler , Yuxin Chang , Felix Draxler , Samar Abdi , Padhraic Smyth

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of…

Machine Learning · Computer Science 2024-06-25 Akhilan Boopathy , William Yue , Jaedong Hwang , Abhiram Iyer , Ila Fiete

Foundation models have garnered increasing attention for representation learning in remote sensing. Many such foundation models adopt approaches that have demonstrated success in computer vision with minimal domain-specific modification.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Kevin Lane , Morteza Karimzadeh

A world model creates a surrogate world to train a controller and predict safety violations by learning the internal dynamic model of systems. However, the existing world models rely solely on statistical learning of how observations change…

Machine Learning · Computer Science 2024-05-06 Zhenjiang Mao , Siqi Dai , Yuang Geng , Ivan Ruchkin

We reveal that transformers trained in an autoregressive manner naturally encode time-delayed causal structures in their learned representations. When predicting future values in multivariate time series, the gradient sensitivities of…

Machine Learning · Computer Science 2026-01-12 Xinyue Wang , Stephen Wang , Biwei Huang

The birth of Foundation Models brought unprecedented results in a wide range of tasks, from language to vision, to robotic control. These models are able to process huge quantities of data, and can extract and develop rich representations,…

Despite much research targeted at enabling conventional machine learning models to continually learn tasks and data distributions sequentially without forgetting the knowledge acquired, little effort has been devoted to account for more…

Machine Learning · Computer Science 2021-06-11 Sandra Servia-Rodriguez , Cecilia Mascolo , Young D. Kwon

The effect of bias on hypothesis formation is characterized for an automated data-driven projection pursuit neural network to extract and select features for binary classification of data streams. This intelligent exploratory process…

Machine Learning · Computer Science 2022-01-05 John Patterson , Chris Avery , Tyler Grear , Donald J. Jacobs

We review and extend existing frameworks on modeling to develop a new framework that describes model-based reasoning in upper-division physics labs. Constructing and using models are core scientific practices that have gained significant…

Physics Education · Physics 2015-10-28 Benjamin M. Zwickl , Dehui Hu , Noah Finkelstein , H. J. Lewandowski

Model explanation techniques play a critical role in understanding the source of a model's performance and making its decisions transparent. Here we investigate if explanation techniques can also be used as a mechanism for scientific…

Recent physics foundation models claim general spatiotemporal forecasting ability, yet their evaluations often collapse performance into a single average score under a fixed training distribution. This makes it difficult to determine…

Machine Learning · Computer Science 2026-05-29 Mengdi Chu , Yang Liu , Ayan Biswas , Han-Wei Shen

Recent advances in artificial intelligence have witnessed the emergence of large-scale deep learning models capable of interpreting and generating both textual and imaging data. Such models, typically referred to as foundation models, are…

Physics-based and first-principles models pervade the engineering and physical sciences, allowing for the ability to model the dynamics of complex systems with a prescribed accuracy. The approximations used in deriving governing equations…

Machine Learning · Statistics 2023-11-03 Megan R. Ebers , Katherine M. Steele , J. Nathan Kutz

Causal inference, estimating causal effects from observational data, is a fundamental tool in many disciplines. Of particular importance across a variety of domains is the continuous treatment setting, where the variable of intervention has…

Machine Learning · Computer Science 2026-05-15 Christopher Stith , Medha Barath , Vahid Balazadeh , Jesse C. Cresswell , Rahul G. Krishnan

The rise of foundation models -- large, pretrained machine learning models that can be finetuned to a variety of tasks -- has revolutionized the fields of natural language processing and computer vision. In high-energy physics, the question…

High Energy Physics - Phenomenology · Physics 2026-01-12 Anna Hallin

Advances in machine learning over the past decade have resulted in a proliferation of algorithmic applications for encoding, characterizing, and acting on complex data that may contain many high dimensional features. Recently, the emergence…

Non-stationary sequences arise naturally in control, forecasting, and decision-making. The data-generating process shifts at unknown times, and models must detect the change, discard or downweight obsolete evidence, and adapt to new…

Machine Learning · Computer Science 2026-04-21 Carson Dudley , Yutong Bi , Xiaofeng Liu , Samet Oymak

Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

Statistical Mechanics · Physics 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin