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Spatio-temporal deep learning models aims to utilize useful patterns in such data to support tasks like prediction. However, previous deep learning models designed for specific tasks typically require separate training for each use case,…

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

Learning 3D representations that generalize well to arbitrarily oriented inputs is a challenge of practical importance in applications varying from computer vision to physics and chemistry. We propose a novel multi-resolution convolutional…

Machine Learning · Computer Science 2021-03-22 James Fox , Bo Zhao , Sivasankaran Rajamanickam , Rampi Ramprasad , Le Song

Interacting particle systems play a key role in science and engineering. Access to the governing particle interaction law is fundamental for a complete understanding of such systems. However, the inherent system complexity keeps the…

Machine Learning · Computer Science 2022-10-25 Zhichao Han , David S. Kammer , Olga Fink

Sequential scientific data span many resolutions and domains, and unifying them into a common representation is a key step toward developing foundation models for the sciences. Astronomical spectra exemplify this challenge: massive surveys…

Numerical simulations of plasma flows are crucial for advancing our understanding of microscopic processes that drive the global plasma dynamics in fusion devices, space, and astrophysical systems. Identifying and classifying particle…

Computational Physics · Physics 2020-10-13 Stefano Markidis , Ivy Peng , Artur Podobas , Itthinat Jongsuebchoke , Gabriel Bengtsson , Pawel Herman

Ultrasound (US) imaging poses unique challenges for representation learning due to its inherently noisy acquisition process. The low signal-to-noise ratio and stochastic speckle patterns hinder standard self-supervised learning methods…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Ashwath Radhachandran , Vedrana Ivezić , Shreeram Athreya , Ronit Anilkumar , Corey W. Arnold , William Speier

We propose Point-PNG, a novel self-supervised learning framework that generates conditional pseudo-negatives in the latent space to learn point cloud representations that are both discriminative and transformation-sensitive. Conventional…

Computer Vision and Pattern Recognition · Computer Science 2025-12-08 Sutharsan Mahendren , Saimunur Rahman , Piotr Koniusz , Tharindu Fernando , Sridha Sridharan , Clinton Fookes , Peyman Moghadam

Collaborative filtering (CF) plays a critical role in the development of recommender systems. Most CF methods utilize an encoder to embed users and items into the same representation space, and the Bayesian personalized ranking (BPR) loss…

Information Retrieval · Computer Science 2022-06-28 Chenyang Wang , Yuanqing Yu , Weizhi Ma , Min Zhang , Chong Chen , Yiqun Liu , Shaoping Ma

Unsupervised 3D representation learning reduces the burden of labeling multimodal 3D data for fusion perception tasks. Among different pre-training paradigms, differentiable-rendering-based methods have shown most promise. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Runjian Chen , Hang Zhang , Avinash Ravichandran , Hyoungseob Park , Wenqi Shao , Alex Wong , Ping Luo

Three-dimensional geometric data offer an excellent domain for studying representation learning and generative modeling. In this paper, we look at geometric data represented as point clouds. We introduce a deep AutoEncoder (AE) network with…

Computer Vision and Pattern Recognition · Computer Science 2018-06-13 Panos Achlioptas , Olga Diamanti , Ioannis Mitliagkas , Leonidas Guibas

Robotic foundation models, or generalist robot policies, hold immense potential to enable flexible, general-purpose and dexterous robotic systems. Despite their advancements, our empirical experiments reveal that existing robot policies are…

Robotics · Computer Science 2026-04-27 Shihan Wu , Xu Luo , Ji Zhang , Junlin Xie , Jingkuan Song , Heng Tao Shen , Lianli Gao

Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated…

Machine Learning · Computer Science 2024-02-15 Grégoire Mialon , Quentin Garrido , Hannah Lawrence , Danyal Rehman , Yann LeCun , Bobak T. Kiani

We propose reCSE, a self supervised contrastive learning sentence representation framework based on feature reshaping. This framework is different from the current advanced models that use discrete data augmentation methods, but instead…

Computation and Language · Computer Science 2024-08-27 Fufangchen Zhao , Jian Gao , Danfeng Yan

Estimating the parameters of a model describing a set of observations using a neural network is in general solved in a supervised way. In cases when we do not have access to the model's true parameters this approach can not be applied.…

Astrophysics of Galaxies · Physics 2020-09-30 Miguel A. Aragon-Calvo

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different…

Machine Learning · Computer Science 2023-10-24 Xiang Zhuang , Qiang Zhang , Keyan Ding , Yatao Bian , Xiao Wang , Jingsong Lv , Hongyang Chen , Huajun Chen

We propose a metric learning framework for the construction of invariant geometric functions of planar curves for the Eucledian and Similarity group of transformations. We leverage on the representational power of convolutional neural…

Computer Vision and Pattern Recognition · Computer Science 2017-02-20 Gautam Pai , Aaron Wetzler , Ron Kimmel

In personalized federated learning (PFL), it is widely recognized that achieving both high model generalization and effective personalization poses a significant challenge due to their conflicting nature. As a result, existing PFL methods…

Machine Learning · Computer Science 2025-02-06 Guogang Zhu , Xuefeng Liu , Jianwei Niu , Shaojie Tang , Xinghao Wu , Jiayuan Zhang

With the consolidation of deep learning in drug discovery, several novel algorithms for learning molecular representations have been proposed. Despite the interest of the community in developing new methods for learning molecular embeddings…

Biomolecules · Quantitative Biology 2022-05-09 María Virginia Sabando , Ignacio Ponzoni , Evangelos E. Milios , Axel J. Soto