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Deep generative diffusion models are a promising avenue for 3D de novo molecular design in materials science and drug discovery. However, their utility is still limited by suboptimal performance on large molecular structures and limited…

Machine Learning · Computer Science 2023-11-27 Tuan Le , Julian Cremer , Frank Noé , Djork-Arné Clevert , Kristof Schütt

We propose DiscoverDCP, a data-driven framework that integrates symbolic regression with the rule sets of Disciplined Convex Programming (DCP) to perform system identification. By enforcing that all discovered candidate model expressions…

Machine Learning · Computer Science 2025-12-19 Sveinung Myhre

Diffusion models have shown great promise for image generation, beating GANs in terms of generation diversity, with comparable image quality. However, their application to 3D shapes has been limited to point or voxel representations that…

Computer Vision and Pattern Recognition · Computer Science 2022-12-16 Gimin Nam , Mariem Khlifi , Andrew Rodriguez , Alberto Tono , Linqi Zhou , Paul Guerrero

Garment sewing patterns are fundamental design elements that bridge the gap between design concepts and practical manufacturing. The generative modeling of sewing patterns is crucial for creating diversified garments. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Xinyu Li , Qi Yao , Yuanda Wang

This paper presents Diffusion Forcing, a new training paradigm where a diffusion model is trained to denoise a set of tokens with independent per-token noise levels. We apply Diffusion Forcing to sequence generative modeling by training a…

Machine Learning · Computer Science 2024-12-11 Boyuan Chen , Diego Marti Monso , Yilun Du , Max Simchowitz , Russ Tedrake , Vincent Sitzmann

Distribution regression refers to the supervised learning problem where labels are only available for groups of inputs instead of individual inputs. In this paper, we develop a rigorous mathematical framework for distribution regression…

Machine Learning · Computer Science 2021-09-30 Maud Lemercier , Cristopher Salvi , Theodoros Damoulas , Edwin V. Bonilla , Terry Lyons

In this paper, we learn a diffusion model to generate 3D data on a scene-scale. Specifically, our model crafts a 3D scene consisting of multiple objects, while recent diffusion research has focused on a single object. To realize our goal,…

Computer Vision and Pattern Recognition · Computer Science 2023-01-03 Jumin Lee , Woobin Im , Sebin Lee , Sung-Eui Yoon

Despite the remarkable generative capabilities of diffusion models, their integration into safety-critical or scientifically rigorous applications remains hindered by the need to ensure compliance with stringent physical, structural, and…

Machine Learning · Computer Science 2025-06-03 Jacob K. Christopher , Michael Cardei , Jinhao Liang , Ferdinando Fioretto

Reconciling symbolic and distributed representations is a crucial challenge that can potentially resolve the limitations of current deep learning. Remarkable advances in this direction have been achieved recently via generative…

Machine Learning · Computer Science 2021-02-09 Jindong Jiang , Sungjin Ahn

We propose the Binary Diffusion Probabilistic Model (BDPM), a generative framework specifically designed for data representations in binary form. Conventional denoising diffusion probabilistic models (DDPMs) assume continuous inputs, use…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Vitaliy Kinakh , Slava Voloshynovskiy

Dataset distillation enables the training of deep neural networks with comparable performance in significantly reduced time by compressing large datasets into small and representative ones. Although the introduction of generative models has…

Machine Learning · Computer Science 2025-05-27 Mingzhuo Li , Guang Li , Jiafeng Mao , Takahiro Ogawa , Miki Haseyama

Training deep learning methods on small time series datasets that also include corrupted samples is challenging. Diffusion models have shown to be effective to generate realistic and synthetic data, and correct corrupted samples through…

Machine Learning · Computer Science 2025-09-17 Julian Ripper , Ousama Esbel , Rafael Fietzek , Max Mühlhäuser , Thomas Kreutz

Diffusion models have achieved remarkable success in image and video generation. In this work, we demonstrate that diffusion models can also \textit{generate high-performing neural network parameters}. Our approach is simple, utilizing an…

Machine Learning · Computer Science 2025-01-03 Kai Wang , Dongwen Tang , Boya Zeng , Yida Yin , Zhaopan Xu , Yukun Zhou , Zelin Zang , Trevor Darrell , Zhuang Liu , Yang You

Diffusion models are the current state of the art for generating photorealistic images. Controlling the sampling process for constrained image generation tasks such as inpainting, however, remains challenging since exact conditioning on…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Anji Liu , Mathias Niepert , Guy Van den Broeck

Diffusion Generative Models (DGM) have rapidly surfaced as emerging topics in the field of computer vision, garnering significant interest across a wide array of deep learning applications. Despite their high computational demand, these…

Image and Video Processing · Electrical Eng. & Systems 2024-11-26 Denisha Thakkar , Vincent Quoc-Huy Trinh , Sonal Varma , Samira Ebrahimi Kahou , Hassan Rivaz , Mahdi S. Hosseini

Image synthesis approaches, e.g., generative adversarial networks, have been popular as a form of data augmentation in medical image analysis tasks. It is primarily beneficial to overcome the shortage of publicly accessible data and…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Shiyi Du , Xiaosong Wang , Yongyi Lu , Yuyin Zhou , Shaoting Zhang , Alan Yuille , Kang Li , Zongwei Zhou

The vast applications of deep generative models are anchored in three core capabilities -- generating new instances, reconstructing inputs, and learning compact representations -- across various data types, such as discrete text/protein…

Machine Learning · Computer Science 2024-06-06 Guangyi Liu , Yu Wang , Zeyu Feng , Qiyu Wu , Liping Tang , Yuan Gao , Zhen Li , Shuguang Cui , Julian McAuley , Zichao Yang , Eric P. Xing , Zhiting Hu

Evolutionary symbolic regression approaches are powerful tools that can approximate an explicit mapping between input features and observation for various problems. However, ensuring that explored expressions maintain consistency with…

Optimization and Control · Mathematics 2024-11-19 Maximilian Reissmann , Yuan Fang , Andrew Ooi , Richard Sandberg

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

We present significant extensions to diffusion-based sequence generation models, blurring the line with autoregressive language models. We introduce hyperschedules, which assign distinct noise schedules to individual token positions,…

Machine Learning · Computer Science 2025-10-08 Nima Fathi , Torsten Scholak , Pierre-André Noël