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Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards…

Machine Learning · Statistics 2024-10-17 Yingqing Guo , Hui Yuan , Yukang Yang , Minshuo Chen , Mengdi Wang

Seismic wave generation creates labeled waveform datasets for source parameter inversion, subsurface analysis, and, notably, training artificial intelligence seismology models. Traditionally, seismic wave generation has been time-consuming,…

Geophysics · Physics 2025-09-23 Longfei Duan , Zicheng Zhang , Lianqing Zhou , Congying Han , Lei Bai , Tiande Guo , Cuiping Zhao

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

Diffusion models have emerged as a powerful framework for generative tasks in deep learning. They decompose generative modeling into two computational primitives: deterministic neural-network evaluation and stochastic sampling. Current…

Machine Learning · Computer Science 2026-03-31 Nihal Sanjay Singh , Mazdak Mohseni-Rajaee , Shaila Niazi , Kerem Y. Camsari

Deep generative models have made rapid progress in image, text, audio, and video generation, and are increasingly being applied to structured records. For tabular data, however, generative modeling remains difficult: a dataset may contain…

Machine Learning · Computer Science 2026-05-25 Zhong Li , Qi Huang , Lincen Yang , Jiayang Shi , Zhao Yang , Niki van Stein , Thomas Bäck , Matthijs van Leeuwen

Learning a categorical distribution comes with its own set of challenges. A successful approach taken by state-of-the-art works is to cast the problem in a continuous domain to take advantage of the impressive performance of the generative…

Machine Learning · Computer Science 2023-03-09 Florence Regol , Mark Coates

Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules.…

Machine Learning · Computer Science 2025-11-18 Lingxiao Li , Haobo Zhang , Bin Chen , Jiayu Zhou

The advancements in generative modeling, particularly the advent of diffusion models, have sparked a fundamental question: how can these models be effectively used for discriminative tasks? In this work, we find that generative models can…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Mihir Prabhudesai , Tsung-Wei Ke , Alexander C. Li , Deepak Pathak , Katerina Fragkiadaki

Diffusion models have become prevalent in generative modeling due to their ability to sample from complex distributions. To improve the quality of generated samples and their compliance with user requirements, two commonly used methods are:…

Machine Learning · Computer Science 2025-12-01 Shervin Khalafi , Ignacio Hounie , Dongsheng Ding , Alejandro Ribeiro

Humans excel at discovering regular structures from limited samples and applying inferred rules to novel settings. We investigate whether modern generative models can similarly learn underlying rules from finite samples and perform…

Machine Learning · Computer Science 2024-11-13 Binxu Wang , Jiaqi Shang , Haim Sompolinsky

Training-free guidance methods for continuous data have seen an explosion of interest due to the fact that they enable foundation diffusion models to be paired with interchangable guidance models. Currently, equivalent guidance methods for…

Machine Learning · Statistics 2024-09-12 Thomas J. Kerby , Kevin R. Moon

Cross-Modal learning tasks have picked up pace in recent times. With plethora of applications in diverse areas, generation of novel content using multiple modalities of data has remained a challenging problem. To address the same, various…

Computer Vision and Pattern Recognition · Computer Science 2023-07-12 Nikhil Verma

Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii)…

Machine Learning · Computer Science 2025-03-12 Yuchen Shen , Chenhao Zhang , Sijie Fu , Chenghui Zhou , Newell Washburn , Barnabás Póczos

Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. We present the Crystal Host-Guided Generation (CHGGen) framework to address this challenge…

Materials Science · Physics 2025-09-09 Peichen Zhong , Xinzhe Dai , Bowen Deng , Gerbrand Ceder , Kristin A. Persson

As deep generative models proliferate across the AI landscape, industrial practitioners still face critical yet unanswered questions about which deep generative models best suit complex manufacturing design tasks. This work addresses this…

Machine Learning · Computer Science 2025-08-27 Fouad Oubari , Raphael Meunier , Rodrigue Décatoire , Mathilde Mougeot

Recent advances in generative modeling have enabled the generation of high-quality synthetic data that is applicable in a variety of domains, including face recognition. Here, state-of-the-art generative models typically rely on…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Darian Tomašević , Fadi Boutros , Chenhao Lin , Naser Damer , Vitomir Štruc , Peter Peer

Crystalline materials often exhibit a high level of symmetry. However, most generative models do not account for symmetry, but rather model each atom without any constraints on its position or element. We propose a generative model, Wyckoff…

The class-conditional image generation based on diffusion models is renowned for generating high-quality and diverse images. However, most prior efforts focus on generating images for general categories, e.g., 1000 classes in ImageNet-1k. A…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Ziying Pan , Kun Wang , Gang Li , Feihong He , Yongxuan Lai

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for…

Machine Learning · Computer Science 2023-06-21 Christian Weilbach , William Harvey , Frank Wood

A generative modeling framework is proposed that combines diffusion models and manifold learning to efficiently sample data densities on manifolds. The approach utilizes Diffusion Maps to uncover possible low-dimensional underlying (latent)…

Machine Learning · Computer Science 2025-04-22 Dimitris G. Giovanis , Ellis Crabtree , Roger G. Ghanem , Ioannis G. Kevrekidis