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Is a deep learning model capable of understanding systems governed by certain first principle laws by only observing the system's output? Can deep learning learn the underlying physics and honor the physics when making predictions? The…

Computational Physics · Physics 2020-06-11 Rohan Thavarajah , Xiang Zhai , Zheren Ma , David Castineira

We present a representation learning algorithm that learns a low-dimensional latent dynamical system from high-dimensional \textit{sequential} raw data, e.g., video. The framework builds upon recent advances in amortized inference methods…

Machine Learning · Computer Science 2020-01-29 Jung-Su Ha , Young-Jin Park , Hyeok-Joo Chae , Soon-Seo Park , Han-Lim Choi

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

Machine Learning · Computer Science 2023-12-13 Yuxuan Song , Jingjing Gong , Minkai Xu , Ziyao Cao , Yanyan Lan , Stefano Ermon , Hao Zhou , Wei-Ying Ma

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Jeremias Traub

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Deen Dayal Mohan , Bhavin Jawade , Srirangaraj Setlur , Venu Govindaraj

Learning disentangled representations is a key step towards effectively discovering and modelling the underlying structure of environments. In the natural sciences, physics has found great success by describing the universe in terms of…

Machine Learning · Computer Science 2020-10-27 Robin Quessard , Thomas D. Barrett , William R. Clements

Data-driven character animation techniques rely on the existence of a properly established model of motion, capable of describing its rich context. However, commonly used motion representations often fail to accurately encode the full…

Computer Vision and Pattern Recognition · Computer Science 2024-05-14 Nefeli Andreou , Andreas Aristidou , Yiorgos Chrysanthou

In this paper, we consider the problem of learning prediction models for spatiotemporal physical processes driven by unknown partial differential equations (PDEs). We propose a deep learning framework that learns the underlying dynamics and…

Machine Learning · Statistics 2021-05-04 Priyabrata Saha , Saibal Mukhopadhyay

Trajectory prediction is a critical part of many AI applications, for example, the safe operation of autonomous vehicles. However, current methods are prone to making inconsistent and physically unrealistic predictions. We leverage insights…

Machine Learning · Computer Science 2021-03-19 Robin Walters , Jinxi Li , Rose Yu

Invariance under symmetry is an important problem in machine learning. Our paper looks specifically at equivariant neural networks where transformations of inputs yield homomorphic transformations of outputs. Here, steerable CNNs have…

Machine Learning · Computer Science 2021-09-15 Daniel Franzen , Michael Wand

Recent progress in geometric deep learning has drawn increasing attention from the machine learning community toward domain adaptation on symmetric positive definite (SPD) manifolds, especially for neuroimaging data that often suffer from…

Machine Learning · Computer Science 2025-05-09 Ce Ju , Cuntai Guan

Dynamical systems are found in innumerable forms across the physical and biological sciences, yet all these systems fall naturally into universal equivalence classes: conservative or dissipative, stable or unstable, compressible or…

Machine Learning · Computer Science 2023-02-28 Matthew Ricci , Noa Moriel , Zoe Piran , Mor Nitzan

Robotic imitation learning has achieved impressive success in learning complex manipulation behaviors from demonstrations. However, many existing robot learning methods do not explicitly account for the physical symmetries of robotic…

Robotics · Computer Science 2026-03-25 Zhiyuan Zhang , Aditya Mohan , Seungho Han , Wan Shou , Dongyi Wang , Yu She

Deep generative diffusion models are a promising avenue for 3D de novo molecular design in materials science and drug discovery. However, their utility is still limited by suboptimal performance on large molecular structures and limited…

Machine Learning · Computer Science 2023-11-27 Tuan Le , Julian Cremer , Frank Noé , Djork-Arné Clevert , Kristof Schütt

Deep metric learning aims to construct an embedding space where samples of the same class are close to each other, while samples of different classes are far away from each other. Most existing deep metric learning methods attempt to…

Computer Vision and Pattern Recognition · Computer Science 2023-04-24 Liu Pingping , Liu Zetong , Lang Yijun , Zhou Qiuzhan , Li Qingliang

Optimization and uncertainty quantification have been playing an increasingly important role in computational hemodynamics. However, existing methods based on principled modeling and classic numerical techniques have faced significant…

Medical Physics · Physics 2022-09-07 Pan Du , Xiaozhi Zhu , Jian-Xun Wang

Diffusion-based generative models represent the current state-of-the-art for image generation. However, standard diffusion models are based on Euclidean geometry and do not translate directly to manifold-valued data. In this work, we…

Machine Learning · Computer Science 2023-12-20 Yesukhei Jagvaral , Francois Lanusse , Rachel Mandelbaum

Understanding and predicting motion is a fundamental component of visual intelligence. Although modern video models exhibit strong comprehension of scene dynamics, exploring multiple possible futures through full video synthesis remains…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Nick Stracke , Kolja Bauer , Stefan Andreas Baumann , Miguel Angel Bautista , Josh Susskind , Björn Ommer

Training a Convolutional Neural Network (CNN) to be robust against rotation has mostly been done with data augmentation. In this paper, another progressive vision of research direction is highlighted to encourage less dependence on data…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Sungwon Hwang , Hyungtae Lim , Hyun Myung

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Quentin Garrido , Laurent Najman , Yann Lecun