English
Related papers

Related papers: Teaching Molecular Dynamics to a Non-Autoregressiv…

200 papers

Real-time decoding of target variables from multiple simultaneously recorded neural time-series modalities, such as discrete spiking activity and continuous field potentials, is important across various neuroscience applications. However, a…

Machine Learning · Computer Science 2025-12-16 Eray Erturk , Maryam M. Shanechi

The exploration of intelligent machines has recently spurred the development of physical neural networks, a class of intelligent metamaterials capable of learning, whether in silico or in situ, from observed data. In this study, we…

Applied Physics · Physics 2024-10-07 Jiaji Chen , Xuanbo Miao , Hongbin Ma , Jonathan B. Hopkins , Guoliang Huang

Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across chemically diverse compounds at reduced computational cost.…

Materials Science · Physics 2025-07-11 Balázs Póta , Paramvir Ahlawat , Gábor Csányi , Michele Simoncelli

Machine learning (ML) force fields have emerged as a powerful tool for computing materials properties at finite temperatures, particularly in regimes where traditional phonon-based perturbation theories fail or cannot be extended beyond the…

Materials Science · Physics 2026-01-30 Martin Callsen , Tai-Ting Lee , Mei-Yin Chou

Species transport models typically combine partial differential equations (PDEs) with relations from hindered transport theory to quantify electromigrative, convective, and diffusive transport through complex nanoporous systems; however,…

Machine Learning · Computer Science 2023-12-06 Danyal Rehman , John H. Lienhard

We propose a unified data-driven framework based on inverse optimal transport that can learn adaptive, nonlinear interaction cost function from noisy and incomplete empirical matching matrix and predict new matching in various matching…

Machine Learning · Statistics 2018-11-01 Ruilin Li , Xiaojing Ye , Haomin Zhou , Hongyuan Zha

Robotic manipulation can greatly benefit from the data efficiency, robustness, and predictability of model-based methods if robots can quickly generate models of novel objects they encounter. This is especially difficult when effects like…

Robotics · Computer Science 2023-10-19 Bibit Bianchini , Mathew Halm , Michael Posa

Multimodal learning typically relies on the assumption that all modalities are fully available during both the training and inference phases. However, in real-world scenarios, consistently acquiring complete multimodal data presents…

Computer Vision and Pattern Recognition · Computer Science 2024-07-18 Donggeun Kim , Taesup Kim

As medical diagnoses increasingly leverage multimodal data, machine learning models are expected to effectively fuse heterogeneous information while remaining robust to missing modalities. In this work, we propose a novel multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-09-24 Yi Gu , Kuniaki Saito , Jiaxin Ma

Understanding the dynamic behavior of biomolecules is fundamental to elucidating biological function and facilitating drug discovery. While Molecular Dynamics (MD) simulations provide a rigorous physical basis for studying these dynamics,…

Biomolecules · Quantitative Biology 2026-03-19 Liang Shi , Jiarui Lu , Junqi Liu , Chence Shi , Zhi Yang , Jian Tang

While queueing network models are powerful tools for analyzing service systems, they traditionally require substantial human effort and domain expertise to construct. To make this modeling approach more scalable and accessible, we propose a…

Machine Learning · Computer Science 2025-09-09 Daksh Mittal , Shunri Zheng , Jing Dong , Hongseok Namkoong

We present that, instead of establishing the equations of motion, one can model-freely reveal the dynamical properties of a black-box system using a learning machine. Trained only by a segment of time series of a state variable recorded at…

Machine Learning · Computer Science 2022-04-15 Hong Zhao

Data-driven methods have become increasingly more prominent for musculoskeletal modelling due to their conceptually intuitive simple and fast implementation. However, the performance of a pre-trained data-driven model using the data from…

Signal Processing · Electrical Eng. & Systems 2022-11-23 Jie Zhang , Yihui Zhao , Tianzhe Bao , Zhenhong Li , Kun Qian , Alejandro F. Frangi , Sheng Quan Xie , Zhi-Qiang Zhang

Human motion prediction is an essential component for enabling closer human-robot collaboration. The task of accurately predicting human motion is non-trivial. It is compounded by the variability of human motion, both at a skeletal level…

Robotics · Computer Science 2021-07-02 Mohammad Samin Yasar , Tariq Iqbal

Some autoregressive models exhibit in-context learning capabilities: being able to learn as an input sequence is processed, without undergoing any parameter changes, and without being explicitly trained to do so. The origins of this…

Neural autoregressive models are explicit density estimators that achieve state-of-the-art likelihoods for generative modeling. The D-dimensional data distribution is factorized into an autoregressive product of one-dimensional conditional…

Machine Learning · Computer Science 2017-11-27 Maxime Voisin , Daniel Ritchie

Predicting materials properties from composition or structure is of great interest to the materials science community. Deep learning has recently garnered considerable interest in materials predictive tasks with low model errors when…

Materials Science · Physics 2021-11-01 Chi Chen , Shyue Ping Ong

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Real-world visual data rarely presents as isolated, static instances. Instead, it often evolves gradually over time through variations in pose, lighting, object state, or scene context. However, conventional classifiers are typically…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Xi Ding , Lei Wang , Piotr Koniusz , Yongsheng Gao

In this article, we discuss some of the recent developments in applying machine learning (ML) techniques to nonlinear dynamical systems. In particular, we demonstrate how to build a suitable ML framework for addressing two specific…

Adaptation and Self-Organizing Systems · Physics 2020-11-30 Sayan Roy , Debanjan Rana