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Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…

Chemical Physics · Physics 2020-02-18 Christoph Brunken , Markus Reiher

Pathology foundation models (PFMs) have rapidly advanced and are becoming a common backbone for downstream clinical tasks, offering strong transferability across tissues and institutions. However, for dense prediction (e.g., segmentation),…

Image and Video Processing · Electrical Eng. & Systems 2026-02-05 Weiming Chen , Xitong Ling , Xidong Wang , Zhenyang Cai , Yijia Guo , Mingxi Fu , Ziyi Zeng , Minxi Ouyang , Jiawen Li , Yizhi Wang , Tian Guan , Benyou Wang , Yonghong He

Many applications, especially in physics and other sciences, call for easily interpretable and robust machine learning techniques. We propose a fully gradient-based technique for training radial basis function networks with an efficient and…

Machine Learning · Computer Science 2022-09-30 Jussi Määttä , Viacheslav Bazaliy , Jyri Kimari , Flyura Djurabekova , Kai Nordlund , Teemu Roos

Brain Foundation Models (BFMs) are transforming neuroscience by enabling scalable and transferable learning from neural signals, advancing both clinical diagnostics and cutting-edge neuroscience exploration. Their emergence is powered by…

Machine Learning · Computer Science 2026-02-13 Fanqi Shen , Enhong Yang , Jiahe Li , Junru Hong , Xiaoran Pan , Zhizhang Yuan , Meng Li , Yang Yang

It has become standard to solve NLP tasks by fine-tuning pre-trained language models (LMs), especially in low-data settings. There is minimal theoretical understanding of empirical success, e.g., why fine-tuning a model with $10^8$ or more…

Machine Learning · Computer Science 2023-06-07 Sadhika Malladi , Alexander Wettig , Dingli Yu , Danqi Chen , Sanjeev Arora

Thousands of person-years have been invested in searches for New Physics (NP), the majority of them motivated by theoretical considerations. Yet, no evidence of beyond the Standard Model (BSM) physics has been found. This suggests that…

High Energy Physics - Experiment · Physics 2024-10-22 Shikma Bressler , Inbar Savoray , Yuval Zurgil

Large language models (LLMs) are trained for downstream tasks by updating their parameters (e.g., via RL). However, updating parameters forces them to absorb task-specific information, which can result in catastrophic forgetting and loss of…

Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

Foundation models (FMs) are a popular topic of research in AI. Their ability to generalize to new tasks and datasets without retraining or needing an abundance of data makes them an appealing candidate for applications on specialist…

Computer Vision and Pattern Recognition · Computer Science 2024-09-06 Marga Don , Stijn Pinson , Blanca Guillen Cebrian , Yuki M. Asano

A leading family of algorithms for state estimation in dynamic systems with multiple sub-states is based on particle filters (PFs). PFs often struggle when operating under complex or approximated modelling (necessitating many particles)…

Signal Processing · Electrical Eng. & Systems 2024-08-22 Itai Nuri , Nir Shlezinger

Brain foundation models (BFMs) have emerged as a transformative paradigm in computational neuroscience, offering a revolutionary framework for processing diverse neural signals across different brain-related tasks. These models leverage…

Machine Learning · Computer Science 2025-07-22 Xinliang Zhou , Chenyu Liu , Zhisheng Chen , Kun Wang , Yi Ding , Ziyu Jia , Qingsong Wen

Traditional foundation models are pre-trained on broad datasets to reduce the training resources (e.g., time, energy, labeled samples) needed for fine-tuning a wide range of downstream tasks. However, traditional foundation models struggle…

Machine Learning · Computer Science 2025-04-24 Majid Farhadloo , Arun Sharma , Mingzhou Yang , Bharat Jayaprakash , William Northrop , Shashi Shekhar

Supervised fine-tuning (SFT) is a critical step in aligning large language models (LLMs) with human instructions and values, yet many aspects of SFT remain poorly understood. We trained a wide range of base models on a variety of datasets…

Computation and Language · Computer Science 2025-10-31 Yuto Harada , Yusuke Yamauchi , Yusuke Oda , Yohei Oseki , Yusuke Miyao , Yu Takagi

Federated learning (FL) has emerged as a promising paradigm for enabling the collaborative training of models without centralized access to the raw data on local devices. In the typical FL paradigm (e.g., FedAvg), model weights are sent to…

Machine Learning · Computer Science 2024-12-25 Guangyu Sun , Umar Khalid , Matias Mendieta , Pu Wang , Chen Chen

Probabilistic circuits (PCs) enable us to learn joint distributions over a set of random variables and to perform various probabilistic queries in a tractable fashion. Though the tractability property allows PCs to scale beyond…

Machine Learning · Computer Science 2025-03-12 Jonas Seng , Florian Peter Busch , Pooja Prasad , Devendra Singh Dhami , Martin Mundt , Kristian Kersting

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Machine Learning · Computer Science 2019-12-24 Drimik Roy Chowdhury , Muhammad Firmansyah Kasim

Detecting Beyond Standard Model (BSM) signals in high-energy particle collisions presents significant challenges due to complex data and the need to differentiate rare signal events from Standard Model (SM) backgrounds. This study…

High Energy Physics - Phenomenology · Physics 2024-11-12 Ali Çelik

In recent years, several successful applications of the Artificial Neural Networks (ANNs) have emerged in nuclear physics and high-energy physics, as well as in biology, chemistry, meteorology, and other fields of science. A major goal of…

Modern large language foundation models (LLM) have now entered the daily lives of millions of users. We ask a natural question whether it is possible to customize LLM for every user or every task. From system and industrial economy…

Machine Learning · Computer Science 2025-04-11 Jianqiao Wangni

Large Language Models (LLMs) are unable to reliably reason about specific physical systems. Attempts to imbue LLMs with knowledge of the necessary physics concepts have shown great promise, but explainability and validation remain open…

Artificial Intelligence · Computer Science 2026-05-22 Sean Memery , Kartic Subr