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Measurement-constrained datasets, often encountered in semi-supervised learning, arise when data labeling is costly, time-intensive, or hindered by confidentiality or ethical concerns, resulting in a scarcity of labeled data. In certain…

Methodology · Statistics 2025-01-15 Yixin Shen , Yang Ning

Out-of-Distribution(OOD) detection, a fundamental machine learning task aimed at identifying abnormal samples, traditionally requires model retraining for different inlier distributions. While recent research demonstrates the applicability…

Machine Learning · Computer Science 2025-02-25 Hongzhe Cheng , Tianyou Zheng , Tianyi Zhang , Matthew Johnson-Roberson , Weiming Zhi

Any well-behaved generative model over a variable $\mathbf{x}$ can be expressed as a deterministic transformation of an exogenous ('outsourced') Gaussian noise variable $\mathbf{z}$: $\mathbf{x}=f_\theta(\mathbf{z})$. In such a model (\eg,…

Machine Learning · Computer Science 2025-05-29 Siddarth Venkatraman , Mohsin Hasan , Minsu Kim , Luca Scimeca , Marcin Sendera , Yoshua Bengio , Glen Berseth , Nikolay Malkin

Addressing real-world optimization problems becomes particularly challenging when analytic objective functions or constraints are unavailable. While numerous studies have addressed the issue of unknown objectives, limited research has…

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Diffusion models are state-of-the-art generative models, yet their samples often fail to satisfy application objectives such as safety constraints or domain-specific validity. Existing techniques for alignment require gradients, internal…

We consider the problem of optimizing expensive black-box functions over high-dimensional combinatorial spaces which arises in many science, engineering, and ML applications. We use Bayesian Optimization (BO) and propose a novel surrogate…

Machine Learning · Computer Science 2023-03-06 Aryan Deshwal , Sebastian Ament , Maximilian Balandat , Eytan Bakshy , Janardhan Rao Doppa , David Eriksson

Generative models cover various application areas, including image, video and music synthesis, natural language processing, and molecular design, among many others. As digital generative models become larger, scalable inference in a fast…

Neural and Evolutionary Computing · Computer Science 2025-08-28 Shiqi Chen , Yuhang Li , Hanlong Chen , Aydogan Ozcan

Simulation is increasingly being used for generating large labelled datasets in many machine learning problems. Recent methods have focused on adjusting simulator parameters with the goal of maximising accuracy on a validation task, usually…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Harkirat Singh Behl , Atılım Güneş Baydin , Ran Gal , Philip H. S. Torr , Vibhav Vineet

In recent years, diffusion models have become the most popular and powerful methods in the field of image synthesis, even rivaling human artists in artistic creativity. However, the key issue currently limiting the application of diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-08-14 Zhongjie Duan , Chengyu Wang , Cen Chen , Jun Huang , Weining Qian

Score-based models generate samples by mapping noise to data (and vice versa) via a high-dimensional diffusion process. We question whether it is necessary to run this entire process at high dimensionality and incur all the inconveniences…

Machine Learning · Computer Science 2023-02-28 Bowen Jing , Gabriele Corso , Renato Berlinghieri , Tommi Jaakkola

In diffusion models, deviations from a straight generative flow are a common issue, resulting in semantic inconsistencies and suboptimal generations. To address this challenge, we introduce `Non-Cross Diffusion', an innovative approach in…

Machine Learning · Computer Science 2024-11-05 Ziyang Zheng , Ruiyuan Gao , Qiang Xu

Advances in generative models increase the need for sample quality assessment. To do so, previous methods rely on a pre-trained feature extractor to embed the generated samples and real samples into a common space for comparison. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Jingyi Xu , Hieu Le , Dimitris Samaras

Offline optimization is a fundamental challenge in science and engineering, where the goal is to optimize black-box functions using only offline datasets. This setting is particularly relevant when querying the objective function is…

Machine Learning · Computer Science 2026-01-07 Minsu Kim , Jiayao Gu , Ye Yuan , Taeyoung Yun , Zixuan Liu , Yoshua Bengio , Can Chen

Supervised machine learning algorithms play a crucial role in optical quality control within industrial production. These approaches require representative datasets for effective model training. However, while non-defective components are…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Dennis Sprute , Hanna Senke , Holger Flatt

Learning to sample from intractable distributions over discrete sets without relying on corresponding training data is a central problem in a wide range of fields, including Combinatorial Optimization. Currently, popular deep learning-based…

Machine Learning · Computer Science 2025-08-25 Sebastian Sanokowski , Sepp Hochreiter , Sebastian Lehner

We propose a novel surrogate-assisted Evolutionary Algorithm for solving expensive combinatorial optimization problems. We integrate a surrogate model, which is used for fitness value estimation, into a state-of-the-art P3-like variant of…

Neural and Evolutionary Computing · Computer Science 2021-04-19 Arkadiy Dushatskiy , Tanja Alderliesten , Peter A. N. Bosman

In many randomized trials, outcomes such as essays or open-ended responses must be manually scored as a preliminary step to impact analysis, a process that is costly and limiting. Model-assisted estimation offers a way to combine surrogate…

Methodology · Statistics 2026-02-16 Reagan Mozer , Nicole E. Pashley , Luke Miratrix

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

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