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Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have…

Machine Learning · Computer Science 2020-10-27 Austin Tripp , Erik Daxberger , José Miguel Hernández-Lobato

A robust estimation framework for binary regression models is studied, aiming to extend traditional approaches like logistic regression models. While previous studies largely focused on logistic models, we explore a broader class of models…

Methodology · Statistics 2025-02-24 Kenichi Hayashi , Shinto Eguchi

Training deep neural networks remains computationally intensive due to the itera2 tive nature of gradient-based optimization. We propose Gradient Flow Matching (GFM), a continuous-time modeling framework that treats neural network training…

Machine Learning · Computer Science 2025-05-27 Xiao Shou , Yanna Ding , Jianxi Gao

Recently, computational modeling has shifted towards the use of deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by…

Fluid Dynamics · Physics 2021-10-11 Suraj Pawar , Omer San , Prakash Vedula , Adil Rasheed , Trond Kvamsdal

The assessment of binary classifier performance traditionally centers on discriminative ability using metrics, such as accuracy. However, these metrics often disregard the model's inherent uncertainty, especially when dealing with sensitive…

Machine Learning · Computer Science 2024-02-13 Agathe Fernandes Machado , Arthur Charpentier , Emmanuel Flachaire , Ewen Gallic , François Hu

Accurate load forecasting is critical for reliable and efficient planning and operation of electric power grids. In this paper, we propose a unifying deep learning framework for load forecasting, which includes time-varying feature…

Machine Learning · Computer Science 2023-05-10 Jing Xiong , Yu Zhang

While methods exist for aligning flow matching models--a popular and effective class of generative models--with human preferences, existing approaches fail to achieve both adaptation efficiency and probabilistically sound prior…

Machine Learning · Computer Science 2026-03-04 Zhen Liu , Tim Z. Xiao , Carles Domingo-Enrich , Weiyang Liu , Dinghuai Zhang

Normalizing flows are invertible neural networks with tractable change-of-volume terms, which allow optimization of their parameters to be efficiently performed via maximum likelihood. However, data of interest are typically assumed to live…

Machine Learning · Statistics 2021-11-04 Anthony L. Caterini , Gabriel Loaiza-Ganem , Geoff Pleiss , John P. Cunningham

Scene flow is the dense 3D reconstruction of motion and geometry of a scene. Most state-of-the-art methods use a pair of stereo images as input for full scene reconstruction. These methods depend a lot on the quality of the RGB images and…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Rishav , Ramy Battrawy , René Schuster , Oliver Wasenmüller , Didier Stricker

Imitation learning has emerged as an effective approach for bootstrapping sequential decision-making in robotics, achieving strong performance even in high-dimensional dexterous manipulation tasks. Recent behavior cloning methods further…

Robotics · Computer Science 2026-02-06 Entong Su , Tyler Westenbroek , Anusha Nagabandi , Abhishek Gupta

The design space of discrete-space diffusion or flow generative models are significantly less well-understood than their continuous-space counterparts, with many works focusing only on a simple masked construction. In this work, we aim to…

Reliable medical image classification requires accurate predictions and well-calibrated uncertainty estimates, especially in high-stakes clinical settings. This work presents MedSymmFlow, a generative-discriminative hybrid model built on…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Francisco Caetano , Lemar Abdi , Christiaan Viviers , Amaan Valiuddin , Fons van der Sommen

We provide a theoretical analysis for end-to-end training Discrete Flow Matching (DFM) generative models. DFM is a promising discrete generative modeling framework that learns the underlying generative dynamics by training a neural network…

Machine Learning · Computer Science 2025-09-29 Maojiang Su , Mingcheng Lu , Jerry Yao-Chieh Hu , Shang Wu , Zhao Song , Alex Reneau , Han Liu

Inferring physical fields from sparse observations while strictly satisfying partial differential equations (PDEs) is a fundamental challenge in computational physics. Recently, deep generative models offer powerful data-driven priors for…

Machine Learning · Computer Science 2026-01-29 Zichao Yu , Ming Li , Wenyi Zhang , Difan Zou , Weiguo Gao

Deep learning has emerged as a promising tool for precipitation downscaling. However, current models rely on likelihood-based loss functions to properly model the precipitation distribution, leading to spatially inconsistent projections…

Atmospheric and Oceanic Physics · Physics 2024-08-02 Jose González-Abad

Contrastive learning effectively clusters data despite a loss landscape filled with poor solutions, a success that is heavily dependent on the choice of data augmentations. How optimization consistently finds meaningful patterns remains an…

Numerical Analysis · Mathematics 2026-05-19 Jeff Calder , Wonjun Lee

Domain alignment refers broadly to learning correspondences between data distributions from distinct domains. In this work, we focus on a setting where domains share underlying structural patterns despite differences in their specific…

Machine Learning · Computer Science 2026-01-06 Julie Keisler , Anastase Alexandre Charantonis , Yannig Goude , Boutheina Oueslati , Claire Monteleoni

Preference alignment methods are increasingly critical for steering large language models (LLMs) to generate outputs consistent with human values. While recent approaches often rely on synthetic data generated by LLMs for scalability and…

Computation and Language · Computer Science 2025-10-21 Mingye Zhu , Yi Liu , Zheren Fu , Yongdong Zhang , Zhendong Mao

Recent work shows that flow matching can be effective for scalar Q-value function estimation in reinforcement learning (RL), but it remains unclear why or how this approach differs from standard critics. Contrary to conventional belief, we…

Machine Learning · Computer Science 2026-05-12 Bhavya Agrawalla , Michal Nauman , Aviral Kumar

Deep generative models have recently been proposed for sampling protein conformations from the Boltzmann distribution, as an alternative to often prohibitively expensive Molecular Dynamics simulations. However, current state-of-the-art…

Biomolecules · Quantitative Biology 2025-11-13 Nicolas Wolf , Leif Seute , Vsevolod Viliuga , Simon Wagner , Jan Stühmer , Frauke Gräter
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