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The exploration of transition state (TS) geometries is crucial for elucidating chemical reaction mechanisms and modeling their kinetics. Recently, machine learning (ML) models have shown remarkable performance for prediction of TS…

Chemical Physics · Physics 2023-10-13 Seonghwan Kim , Jeheon Woo , Woo Youn Kim

Generative diffusion models for end-to-end autonomous driving often suffer from mode collapse, tending to generate conservative and homogeneous behaviors. While DiffusionDrive employs predefined anchors representing different driving…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Jialv Zou , Shaoyu Chen , Bencheng Liao , Zhiyu Zheng , Yuehao Song , Lefei Zhang , Qian Zhang , Wenyu Liu , Xinggang Wang

Building on the remarkable achievements in generative sampling of natural images, we propose an innovative challenge, potentially overly ambitious, which involves generating samples of entire multivariate time series that resemble images.…

Deep generative models are routinely used in generating samples from complex, high-dimensional distributions. Despite their apparent successes, their statistical properties are not well understood. A common assumption is that with enough…

Machine Learning · Statistics 2025-01-15 Edric Tam , David B. Dunson

Implicit generative models have the capability to learn arbitrary complex data distributions. On the downside, training requires telling apart real data from artificially-generated ones using adversarial discriminators, leading to unstable…

Machine Learning · Computer Science 2024-02-27 José Manuel de Frutos , Pablo M. Olmos , Manuel A. Vázquez , Joaquín Míguez

Generative foundation models like Stable Diffusion comprise a diverse spectrum of knowledge in computer vision with the potential for transfer learning, e.g., via generating data to train student models for downstream tasks. This could…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Leonhard Hennicke , Christian Medeiros Adriano , Holger Giese , Jan Mathias Koehler , Lukas Schott

Diffusion-based methods represented as stochastic differential equations on a continuous-time domain have recently proven successful as a non-adversarial generative model. Training such models relies on denoising score matching, which can…

Machine Learning · Computer Science 2024-11-05 Sarthak Mittal , Korbinian Abstreiter , Stefan Bauer , Bernhard Schölkopf , Arash Mehrjou

Based on recent advanced diffusion models, Text-to-image (T2I) generation models have demonstrated their capabilities to generate diverse and high-quality images. However, leveraging their potential for real-world content creation,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-08 Sandra Zhang Ding , Jiafeng Mao , Kiyoharu Aizawa

Diffusion models are a class of generative models that serve to establish a stochastic transport map between an empirically observed, yet unknown, target distribution and a known prior. Despite their remarkable success in real-world…

Machine Learning · Computer Science 2025-03-13 Puheng Li , Zhong Li , Huishuai Zhang , Jiang Bian

Several problems in machine learning are naturally expressed as the design and analysis of time-evolving probability distributions. This includes sampling via diffusion methods, optimizing the weights of neural networks, and analyzing the…

Optimization and Control · Mathematics 2026-05-28 Gabriel Peyré

Unsupervised learning of generative models has seen tremendous progress over recent years, in particular due to generative adversarial networks (GANs), variational autoencoders, and flow-based models. GANs have dramatically improved sample…

Computer Vision and Pattern Recognition · Computer Science 2020-01-06 Thomas Lucas , Konstantin Shmelkov , Karteek Alahari , Cordelia Schmid , Jakob Verbeek

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Yuanzhi Zhu , Hanshu Yan , Huan Yang , Kai Zhang , Junnan Li

Do different generative image models secretly learn similar underlying representations? We investigate this by measuring the latent space similarity of four different models: VAEs, GANs, Normalizing Flows (NFs), and Diffusion Models (DMs).…

Machine Learning · Computer Science 2024-07-19 Charumathi Badrinath , Usha Bhalla , Alex Oesterling , Suraj Srinivas , Himabindu Lakkaraju

We introduce and study a class of probabilistic generative models, where the latent object is a finite-dimensional diffusion process on a finite time interval and the observed variable is drawn conditionally on the terminal point of the…

Probability · Mathematics 2019-06-03 Belinda Tzen , Maxim Raginsky

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

Modern generative models can be understood as probability transport from a simple base distribution to a target data distribution. Deterministic transport models offer tractable velocity-field parameterizations, whereas stochastic…

Machine Learning · Computer Science 2026-05-19 Xingyu Song , Yuan Mei , Naoya Takeishi

Access to trajectory data is a key requirement for developing and validating Air Traffic Management (ATM) solutions, yet many secondary and regional airports face severe data scarcity. This limits the applicability of machine learning…

Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Quan Dao , Hao Phung , Binh Nguyen , Anh Tran

The generation of discontinuous distributions is a difficult task for most known frameworks such as generative autoencoders and generative adversarial networks. Generative non-invertible models are unable to accurately generate such…

Machine Learning · Computer Science 2021-12-20 Mariia Drozdova , Vitaliy Kinakh , Guillaume Quétant , Tobias Golling , Slava Voloshynovskiy