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Molecular dynamics is one of the most commonly used approaches for studying the dynamics and statistical distributions of many physical, chemical, and biological systems using atomistic or coarse-grained models. It is often the case,…

Computational Physics · Physics 2015-06-16 Ben Leimkuhler , Daniel T. Margul , Mark E. Tuckerman

Efficiently selecting an appropriate spike stream data length to extract precise information is the key to the spike vision tasks. To address this issue, we propose a dynamic timing representation for spike streams. Based on multi-layers…

Computer Vision and Pattern Recognition · Computer Science 2023-07-13 Lujie Xia , Ziluo Ding , Rui Zhao , Jiyuan Zhang , Lei Ma , Zhaofei Yu , Tiejun Huang , Ruiqin Xiong

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

Machine Learning · Computer Science 2023-10-12 Salva Rühling Cachay , Bo Zhao , Hailey Joren , Rose Yu

Diffusion models generate high-quality images but require dozens of forward passes. We introduce Distribution Matching Distillation (DMD), a procedure to transform a diffusion model into a one-step image generator with minimal impact on…

Computer Vision and Pattern Recognition · Computer Science 2024-10-08 Tianwei Yin , Michaël Gharbi , Richard Zhang , Eli Shechtman , Fredo Durand , William T. Freeman , Taesung Park

Recent work has explored a range of model families for human motion generation, including Variational Autoencoders (VAEs), Generative Adversarial Networks (GANs), and diffusion-based models. Despite their differences, many methods rely on…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 David Björkstrand , Tiesheng Wang , Lars Bretzner , Josephine Sullivan

We propose a novel framework for analyzing the dynamics of distribution shift in real-world systems that captures the feedback loop between learning algorithms and the distributions on which they are deployed. Prior work largely models…

Machine Learning · Computer Science 2023-10-31 Lauren Conger , Franca Hoffmann , Eric Mazumdar , Lillian Ratliff

Speculative Decoding (SD) accelerates large language model inference by employing a small draft model to generate predictions, which are then verified by a larger target model. The effectiveness of SD hinges on the alignment between these…

Computation and Language · Computer Science 2025-10-23 Yuezhou Hu , Jiaxin Guo , Xinyu Feng , Tuo Zhao

Recent advancements in diffusion models have been leveraged to address inverse problems without additional training, and Diffusion Posterior Sampling (DPS) (Chung et al., 2022a) is among the most popular approaches. Previous analyses…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Tongda Xu , Xiyan Cai , Xinjie Zhang , Xingtong Ge , Dailan He , Ming Sun , Jingjing Liu , Ya-Qin Zhang , Jian Li , Yan Wang

Score-based generative models based on stochastic differential equations (SDEs) achieve impressive performance in sampling from unknown distributions, but often fail to satisfy underlying constraints. We propose a constrained generative…

Machine Learning · Statistics 2025-10-29 Adam Nordenhög , Akash Sharma

Simulations are vital for understanding and predicting the evolution of complex molecular systems. However, despite advances in algorithms and special purpose hardware, accessing the timescales necessary to capture the structural evolution…

Computational Physics · Physics 2021-02-18 Pantelis R. Vlachas , Julija Zavadlav , Matej Praprotnik , Petros Koumoutsakos

Stochastic Gradient Descent (SGD) and its variants are almost universally used to train neural networks and to fit a variety of other parametric models. An important hyperparameter in this context is the batch size, which determines how…

Optimization and Control · Mathematics 2023-12-05 Stefan Perko

Score-based generative models (SGMs) have recently emerged as a promising class of generative models. However, a fundamental limitation is that their sampling process is slow due to a need for many (e.g., 2000) iterations of sequential…

Computer Vision and Pattern Recognition · Computer Science 2025-03-03 Hengyuan Ma , Xiatian Zhu , Jianfeng Feng , Li Zhang

Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and…

Machine Learning · Computer Science 2026-04-03 Hao Zhu , Di Zhou , Donna Slonim

This paper introduces a Spiking Diffusion Policy (SDP) learning method for robotic manipulation by integrating Spiking Neurons and Learnable Channel-wise Membrane Thresholds (LCMT) into the diffusion policy model, thereby enhancing…

Robotics · Computer Science 2024-09-18 Zhixing Hou , Maoxu Gao , Hang Yu , Mengyu Yang , Chio-In Ieong

We study the theoretical behavior of denoising score matching--the learning task associated to diffusion models--when the data distribution is supported on a low-dimensional manifold and the score is parameterized using a random feature…

Machine Learning · Computer Science 2026-04-14 Anand Jerry George , Nicolas Macris

Speculative Decoding (SD) accelerates inference in large language models by using a smaller draft model to propose tokens, which are then verified by a larger target model. However, the throughput gains of SD are fundamentally limited by a…

Computation and Language · Computer Science 2025-10-16 Sanghyun Byun , Mohanad Odema , Jung Ick Guack , Baisub Lee , Jacob Song , Woo Seong Chung

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are…

Machine Learning · Computer Science 2024-05-07 Benjie Wang , Joel Jennings , Wenbo Gong

Diffusion models generate samples by denoising along the score of a perturbed target distribution. In practice, one trains a neural diffusion model, which is computationally expensive. Recent work suggests that score matching implicitly…

Machine Learning · Statistics 2026-05-15 Zhenyu Yao , Daniel Paulin

We propose closed-form conditional diffusion models for data assimilation. Diffusion models use data to learn the score function (defined as the gradient of the log-probability density of a data distribution), allowing them to generate new…

Machine Learning · Statistics 2026-04-02 Brianna Binder , Agnimitra Dasgupta , Assad Oberai

State-space models (SSMs) offer a powerful framework for dynamical system analysis, wherein the temporal dynamics of the system are assumed to be captured through the evolution of the latent states, which govern the values of the…

Machine Learning · Statistics 2024-12-17 Jiahe Lin , George Michailidis