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The replica exchange method is a powerful tool for overcoming slow relaxation in molecular simulations, but its efficiency depends strongly on the choice of the number and interval of replicas and their exchange probabilities. Here, we…

Statistical Mechanics · Physics 2025-06-04 Akie Kowaguchi , Katsuhiro Endo , Kentaro Nomura , Shuichi Kurabayashi , Paul E. Brumby , Kenji Yasuoka

Deep Generative Models (DGMs), including Energy-Based Models (EBMs) and Score-based Generative Models (SGMs), have advanced high-fidelity data generation and complex continuous distribution approximation. However, their application in…

Machine Learning · Computer Science 2024-10-03 Yangming Li , Chieh-Hsin Lai , Carola-Bibiane Schönlieb , Yuki Mitsufuji , Stefano Ermon

The differential equation-based image restoration approach aims to establish learnable trajectories connecting high-quality images to a tractable distribution, e.g., low-quality images or a Gaussian distribution. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Zhiyu Zhu , Jinhui Hou , Hui Liu , Huanqiang Zeng , Junhui Hou

Denoising Diffusion Models (DDMs) have become a popular tool for generating high-quality samples from complex data distributions. These models are able to capture sophisticated patterns and structures in the data, and can generate samples…

Computer Vision and Pattern Recognition · Computer Science 2024-08-20 Emanuele Aiello , Diego Valsesia , Enrico Magli

With the proliferation of location-aware devices, large amount of trajectories have been generated when agents such as people, vehicles and goods flow around the urban environment. These raw trajectories, typically collected from various…

Machine Learning · Computer Science 2024-09-05 Jinming Wang , Hai Wang , Hongkai Wen , Geyong Min , Man Luo

Diffusion transformers enable flexible generative modeling for video. However, it is still technically challenging and computationally expensive to generate high-resolution videos with rich semantics and complex motion. Similar to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-16 Xunnong Xu , Mengying Cao

Applying diffusion models to physically-based material estimation and generation has recently gained prominence. In this paper, we propose \ttt, a novel material reconstruction framework for 3D objects, offering the following advantages.…

Graphics · Computer Science 2025-11-25 Xiuchao Wu , Pengfei Zhu , Jiangjing Lyu , Xinguo Liu , Jie Guo , Yanwen Guo , Weiwei Xu , Chengfei Lyu

Vehicle trajectories can offer the most precise and detailed depiction of traffic flow and serve as a critical component in traffic management and control applications. Various technologies have been applied to reconstruct vehicle…

Optimization and Control · Mathematics 2023-06-12 Xuejian Chen , Guoyang Qin , Toru Seo , Ye Tian , Jian Sun

Discrete diffusion models have recently emerged as a promising alternative to the autoregressive approach for generating discrete sequences. Sample generation via gradual denoising or demasking processes allows them to capture hierarchical…

Approximating model predictive control (MPC) using imitation learning (IL) allows for fast control without solving expensive optimization problems online. However, methods that use neural networks in a simple L2-regression setup fail to…

The recent success of diffusion-based generative models in image and natural language processing has ignited interest in diffusion-based trajectory optimization for nonlinear control systems. Existing methods cannot, however, handle the…

Robotics · Computer Science 2025-09-23 Vince Kurtz , Joel W. Burdick

Inverse problems have many applications in science and engineering. In Computer vision, several image restoration tasks such as inpainting, deblurring, and super-resolution can be formally modeled as inverse problems. Recently, methods have…

Computer Vision and Pattern Recognition · Computer Science 2024-09-19 Sai Bharath Chandra Gutha , Ricardo Vinuesa , Hossein Azizpour

We construct a new framework for accelerating Markov chain Monte Carlo in posterior sampling problems where standard methods are limited by the computational cost of the likelihood, or of numerical models embedded therein. Our approach…

Methodology · Statistics 2017-01-06 Patrick R. Conrad , Youssef M. Marzouk , Natesh S. Pillai , Aaron Smith

We present Generative Monte Carlo (GMC), a novel paradigm for particle transport simulation that integrates generative artificial intelligence directly into the stochastic solution of the linear Boltzmann equation. By reformulating the…

Computational Physics · Physics 2025-12-17 Joseph A. Farmer , Aidan Murray , Johannes Krotz , Ryan G. McClarren

Diffusion Probabilistic Models (DPMs) have recently shown remarkable performance in image generation tasks, which are capable of generating highly realistic images. When adopting DPMs for image restoration tasks, the crucial aspect lies in…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Yi Zhang , Xiaoyu Shi , Dasong Li , Xiaogang Wang , Jian Wang , Hongsheng Li

First of all, this paper presents some improvements of DSMC method in the form of new schemes and approaches, that, for a wide class of problems, increase performance and reduce the demands on computer resources. The most important…

Fluid Dynamics · Physics 2012-01-16 Roman V. Maltsev

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

Monte Carlo Tree Diffusion (MCTD) integrates diffusion models with structured tree search to enable effective trajectory exploration through stepwise reasoning. However, MCTD remains fundamentally limited by training trajectory lengths.…

Machine Learning · Computer Science 2026-01-07 Jaesik Yoon , Hyeonseo Cho , Sungjin Ahn

Markov Chain Monte Carlo (MCMC) algorithms are standard approaches to solve imaging inverse problems and quantify estimation uncertainties, a key requirement in absence of ground-truth data. To improve estimation quality, Plug-and-Play MCMC…

Methodology · Statistics 2025-11-04 Maxime Bouton , Pierre-Antoine Thouvenin , Audrey Repetti , Pierre Chainais

Diffusion models (DMs) excel in unconditional generation, as well as on applications such as image editing and restoration. The success of DMs lies in the iterative nature of diffusion: diffusion breaks down the complex process of mapping…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Beomsu Kim , Jaemin Kim , Jeongsol Kim , Jong Chul Ye