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We propose an algorithm for learning a conditional generative model of a molecule given a target. Specifically, given a receptor molecule that one wishes to bind to, the conditional model generates candidate ligand molecules that may bind…

Machine Learning · Computer Science 2022-11-10 Eyal Rozenberg , Daniel Freedman

Autonomous driving requires reasoning about interactions with surrounding traffic. A prevailing approach is large-scale imitation learning on expert driving datasets, aimed at generalizing across diverse real-world scenarios. For online…

Image reconstruction from computed tomography (CT) measurement is a challenging statistical inverse problem since a high-dimensional conditional distribution needs to be estimated. Based on training data obtained from high-quality…

Image and Video Processing · Electrical Eng. & Systems 2020-06-12 Alexander Denker , Maximilian Schmidt , Johannes Leuschner , Peter Maass , Jens Behrmann

The feasibility of collecting a large amount of expert demonstrations has inspired growing research interests in learning-to-drive settings, where models learn by imitating the driving behaviour from experts. However, exclusively relying on…

Robotics · Computer Science 2022-12-20 Jonathan Francis , Bingqing Chen , Weiran Yao , Eric Nyberg , Jean Oh

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

Sampling from unnormalized densities is analogous to the generative modeling problem, but the target distribution is defined by a known energy function instead of data samples. Because evaluating the energy function is often costly, a…

Machine Learning · Computer Science 2026-05-06 Aaron Havens , Brian Karrer , Neta Shaul

The goal of this paper is to provide a new perspective on speech modeling by incorporating perceptual invariances such as amplitude scaling and temporal shifts. Conventional generative formulations often treat each dataset sample as a fixed…

Audio and Speech Processing · Electrical Eng. & Systems 2025-12-24 Doyeop Kwak , Youngjoon Jang , Joon Son Chung

Given an inverse problem with a normalizing flow prior, we wish to estimate the distribution of the underlying signal conditioned on the observations. We approach this problem as a task of conditional inference on the pre-trained…

Machine Learning · Statistics 2021-06-16 Jay Whang , Erik M. Lindgren , Alexandros G. Dimakis

A popular way to plan trajectories in dynamic urban scenarios for Autonomous Vehicles is to rely on explicitly specified and hand crafted cost functions, coupled with random sampling in the trajectory space to find the minimum cost…

Robotics · Computer Science 2022-10-14 Shubhankar Agarwal , Harshit Sikchi , Cole Gulino , Eric Wilkinson , Shivam Gautam

Foundational language models show a remarkable ability to learn new concepts during inference via context data. However, similar work for images lag behind. To address this challenge, we introduce FLoWN, a flow matching model that learns to…

Machine Learning · Computer Science 2025-04-22 Daniel Saragih , Deyu Cao , Tejas Balaji , Ashwin Santhosh

Diffusion models and flow matching have demonstrated remarkable success in text-to-image generation. While many existing alignment methods primarily focus on fine-tuning pre-trained generative models to maximize a given reward function,…

Machine Learning · Statistics 2026-02-03 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

Learning probabilistic surrogates for partial differential equations remains challenging in data-scarce regimes: neural operators require large amounts of high-fidelity data, while generative approaches typically sacrifice resolution…

Computation · Statistics 2025-12-18 Sahil Bhola , Karthik Duraisamy

This study presents a conditional flow matching framework for solving physics-constrained Bayesian inverse problems. In this setting, samples from the joint distribution of inferred variables and measurements are assumed available, while…

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer…

Machine Learning · Computer Science 2022-09-27 William Peebles , Ilija Radosavovic , Tim Brooks , Alexei A. Efros , Jitendra Malik

Deep generative models provide state-of-the-art performance across a wide array of applications, with recent studies showing increasing applicability for science and engineering. Despite a growing corpus of literature focused on the…

Machine Learning · Computer Science 2026-05-14 Jacob K. Christopher , James E. Warner , Ferdinando Fioretto

The ultimate goal of regression analysis is to obtain information about the conditional distribution of a response given a set of explanatory variables. This goal is, however, seldom achieved because most established regression models only…

Methodology · Statistics 2017-12-13 Torsten Hothorn , Thomas Kneib , Peter Bühlmann

We propose continuous adversarial flow models, a type of continuous-time flow model trained with an adversarial objective. Unlike flow matching, which uses a fixed mean-squared-error criterion, our approach introduces a learned…

Machine Learning · Computer Science 2026-04-14 Shanchuan Lin , Ceyuan Yang , Zhijie Lin , Hao Chen , Haoqi Fan

Flow Matching (FM) (also referred to as stochastic interpolants or rectified flows) stands out as a class of generative models that aims to bridge in finite time the target distribution $\nu^\star$ with an auxiliary distribution $\mu$,…

Machine Learning · Statistics 2024-09-16 Marta Gentiloni Silveri , Giovanni Conforti , Alain Durmus

Classical methods in robot motion planning, such as sampling-based and optimization-based methods, often struggle with scalability towards higher-dimensional state spaces and complex environments. Diffusion models, known for their…

Robotics · Computer Science 2026-03-20 Edward Sandra , Lander Vanroye , Dries Dirckx , Ruben Cartuyvels , Jan Swevers , Wilm Decré

Estimating causal effects from observational data has become increasingly critical in diverse fields including healthcare, economics, and social policy. The fundamental challenge in causal inference arises from the missing counterfactuals…

Machine Learning · Computer Science 2026-05-08 Yifei Xie , Jian Huang