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Deep clustering as an important branch of unsupervised representation learning focuses on embedding semantically similar samples into the identical feature space. This core demand inspires the exploration of contrastive learning and…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Haifeng Xia , Hai Huang , Zhengming Ding

Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo design flow matching or diffusion-based models are limited to…

Machine Learning · Computer Science 2025-11-24 Riccardo Tedoldi , Ola Engkvist , Patrick Bryant , Hossein Azizpour , Jon Paul Janet , Alessandro Tibo

Time-series forecasting increasingly demands not only accurate observational predictions but also causal forecasting under interventional and counterfactual queries in multivariate systems. We present DoFlow, a flow-based generative model…

Machine Learning · Statistics 2026-03-03 Dongze Wu , Feng Qiu , Yao Xie

Diffusion-based imitation learning improves Behavioral Cloning (BC) on multi-modal decision-making, but comes at the cost of significantly slower inference due to the recursion in the diffusion process. It urges us to design efficient…

Machine Learning · Computer Science 2024-11-25 Xixi Hu , Bo Liu , Xingchao Liu , Qiang Liu

Imitation learning is a promising approach for enabling generalist capabilities in humanoid robots, but its scaling is fundamentally constrained by the scarcity of high-quality expert demonstrations. This limitation can be mitigated by…

Robotics · Computer Science 2025-08-21 Quentin Rouxel , Clemente Donoso , Fei Chen , Serena Ivaldi , Jean-Baptiste Mouret

Although point cloud models have gained significant improvements in prediction accuracy over recent years, their trustworthiness is still not sufficiently investigated. In terms of global explainability, Activation Maximization (AM)…

Computer Vision and Pattern Recognition · Computer Science 2024-04-30 Hanxiao Tan

Flow-matching generative models are increasingly used to simulate cell responses to biological perturbations. However, the design space for building such models is large and underexplored. We systematically analyse the design space of flow…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Charles Jones , Emmanuel Noutahi , Jason Hartford , Cian Eastwood

Two apparently unrelated fields -- normalizing flows and causality -- have recently received considerable attention in the machine learning community. In this work, we highlight an intrinsic correspondence between a simple family of…

Machine Learning · Statistics 2021-02-25 Ilyes Khemakhem , Ricardo Pio Monti , Robert Leech , Aapo Hyvärinen

We introduce Equilibrium Matching (EqM), a generative modeling framework built from an equilibrium dynamics perspective. EqM discards the non-equilibrium, time-conditional dynamics in traditional diffusion and flow-based generative models…

Machine Learning · Computer Science 2025-10-14 Runqian Wang , Yilun Du

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

Current discriminative depth estimation methods often produce blurry artifacts, while generative approaches suffer from slow sampling due to curvatures in the noise-to-depth transport. Our method addresses these challenges by framing depth…

Computer Vision and Pattern Recognition · Computer Science 2024-12-20 Ming Gui , Johannes Schusterbauer , Ulrich Prestel , Pingchuan Ma , Dmytro Kotovenko , Olga Grebenkova , Stefan Andreas Baumann , Vincent Tao Hu , Björn Ommer

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

We introduce a novel generative model for the representation of joint probability distributions of a possibly large number of discrete random variables. The approach uses measure transport by randomized assignment flows on the statistical…

Machine Learning · Statistics 2025-01-15 Bastian Boll , Daniel Gonzalez-Alvarado , Stefania Petra , Christoph Schnörr

Real-world clinical problems are often characterized by multimodal data, usually associated with incomplete views and limited sample sizes in their cohorts, posing significant limitations for machine learning algorithms. In this work, we…

Existing generative models for time series forecasting often transform simple priors (typically Gaussian) into complex data distributions. However, their sampling initialization, independent of historical data, hinders the capture of…

Machine Learning · Computer Science 2025-08-12 Huibo Xu , Runlong Yu , Likang Wu , Xianquan Wang , Qi Liu

Generative machine learning has emerged as a powerful tool for design representation and exploration. However, its application is often constrained by the need for large datasets of existing designs and the lack of interpretability about…

Machine Learning · Computer Science 2025-08-13 Eric Seng , Hugh O'Connor , Adam Boyce , Josh J. Bailey , Anton van Beek

A common objective in the analysis of tabular data is estimating the conditional distribution (in contrast to only producing predictions) of a set of "outcome" variables given a set of "covariates", which is sometimes referred to as the…

Machine Learning · Statistics 2024-10-08 Zhuoqun Wang , Naoki Awaya , Li Ma

Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…

Machine Learning · Computer Science 2026-03-19 Peter Holderrieth , Ezra Erives

Rare diseases dominate the diagnostic challenge in medical imaging yet are severely underrepresented in clinical datasets, causing classifiers to fail on exactly the conditions where reliable detection matters most. Generative augmentation…

Image and Video Processing · Electrical Eng. & Systems 2026-05-19 Felix Nützel , Mischa Dombrowski , Bernhard Kainz