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Our world is ambiguous and this is reflected in the data we use to train our algorithms. This is particularly true when we try to model natural processes where collected data is affected by noisy measurements and differences in measurement…

Machine Learning · Computer Science 2023-07-19 Jörg K. H. Franke , Frederic Runge , Frank Hutter

Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a symmetry in the system, identifying…

Machine Learning · Computer Science 2026-05-15 Yixian Xu , Yusong Wang , Shengjie Luo , Kaiyuan Gao , Tianyu He , Di He , Chang Liu

Urban wind flow modeling and simulation play an important role in air quality assessment and sustainable city planning. A key challenge for modeling and simulation is handling the complex geometries of the urban landscape. Low order models…

Machine Learning · Computer Science 2025-12-18 Francisco Giral , Álvaro Manzano , Ignacio Gómez , Petros Koumoutsakos , Soledad Le Clainche

The diffusion model has shown success in generating high-quality and diverse solutions to trajectory optimization problems. However, diffusion models with neural networks inevitably make prediction errors, which leads to constraint…

Machine Learning · Computer Science 2024-06-04 Anjian Li , Zihan Ding , Adji Bousso Dieng , Ryne Beeson

Generative models frequently suffer miscalibration, wherein statistics of the sampling distribution, such as the fraction of generations in a given class, deviate from desired values. We frame calibration as a constrained optimization…

Machine Learning · Statistics 2026-05-29 Henry D. Smith , Nathaniel L. Diamant , Brian L. Trippe

Recent advancement in generative models have demonstrated remarkable performance across various data modalities. Beyond their typical use in data synthesis, these models play a crucial role in distribution matching tasks such as latent…

Machine Learning · Computer Science 2025-08-19 Sagar Shrestha , Rajesh Shrestha , Tri Nguyen , Subash Timilsina

A curious phenomenon observed in some dynamical generative models is the following: despite learning errors in the score function or the drift vector field, the generated samples appear to shift \emph{along} the support of the data…

Machine Learning · Computer Science 2025-08-12 Nisha Chandramoorthy , Adriaan de Clercq

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…

We introduce manifold-learning flows (M-flows), a new class of generative models that simultaneously learn the data manifold as well as a tractable probability density on that manifold. Combining aspects of normalizing flows, GANs,…

Machine Learning · Statistics 2020-11-16 Johann Brehmer , Kyle Cranmer

Natural images may lie on a union of disjoint manifolds rather than one globally connected manifold, and this can cause several difficulties for the training of common Generative Adversarial Networks (GANs). In this work, we first show that…

Machine Learning · Computer Science 2019-01-14 Mahyar Khayatkhoei , Ahmed Elgammal , Maneesh Singh

Diffusion Models are a potent class of generative models capable of producing high-quality images. However, they often inadvertently favor certain data attributes, undermining the diversity of generated images. This issue is starkly…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Xingzhe Su , Daixi Jia , Fengge Wu , Junsuo Zhao , Changwen Zheng , Wenwen Qiang

Recently, combinations of generative and Bayesian machine learning have been introduced in particle physics for both fast detector simulation and inference tasks. These neural networks aim to quantify the uncertainty on the generated…

Machine Learning · Computer Science 2024-11-21 Sebastian Bieringer , Sascha Diefenbacher , Gregor Kasieczka , Mathias Trabs

Generative modeling, which learns joint probability distribution from data and generates samples according to it, is an important task in machine learning and artificial intelligence. Inspired by probabilistic interpretation of quantum…

Statistical Mechanics · Physics 2018-07-20 Zhao-Yu Han , Jun Wang , Heng Fan , Lei Wang , Pan Zhang

Recent advances in denoising diffusion models have enabled rapid generation of optimized structures for topology optimization. However, these models often rely on surrogate predictors to enforce physical constraints, which may fail to…

Machine Learning · Computer Science 2025-08-05 Euihyun Kim , Keun Park , Yeoneung Kim

Conditional diffusion probabilistic models can model the distribution of natural images and can generate diverse and realistic samples based on given conditions. However, oftentimes their results can be unrealistic with observable color…

Computer Vision and Pattern Recognition · Computer Science 2022-12-15 Kangfu Mei , Nithin Gopalakrishnan Nair , Vishal M. Patel

Generative AI models have recently achieved astonishing results in quality and are consequently employed in a fast-growing number of applications. However, since they are highly data-driven, relying on billion-sized datasets randomly…

Hard constraints in generative sampling are typically enforced by projection, applied either once at the end of sampling or after every update. This binary framing overlooks a fundamental issue: projection changes the distribution of states…

Machine Learning · Computer Science 2026-05-13 Noah Trupin , Yexiang Xue

Diffusion models have recently driven significant breakthroughs in generative modeling. While state-of-the-art models produce high-quality samples on average, individual samples can still be low quality. Detecting such samples without human…

Machine Learning · Computer Science 2025-06-13 Metod Jazbec , Eliot Wong-Toi , Guoxuan Xia , Dan Zhang , Eric Nalisnick , Stephan Mandt

Generative models learn the distribution of data from a sample dataset and can then generate new data instances. Recent advances in deep learning has brought forth improvements in generative model architectures, and some state-of-the-art…

Cryptography and Security · Computer Science 2021-07-30 Luke A. Bauer , Vincent Bindschaedler

Diffusion models have achieved remarkable success as generative models. However, even a well-trained model can accumulate errors throughout the generation process. These errors become particularly problematic when arbitrary guidance is…

Machine Learning · Computer Science 2025-10-14 Youngrok Park , Hojung Jung , Sangmin Bae , Se-Young Yun