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With the advent of diffusion models, new proteins can be generated at an unprecedented rate. The motif scaffolding problem requires steering this generative process to yield proteins with a desirable functional substructure called a motif.…

生物大分子 · 定量生物学 2025-10-06 James Matthew Young , O. Deniz Akyildiz

Posterior sampling by Monte Carlo methods provides a more comprehensive solution approach to inverse problems than computing point estimates such as the maximum posterior using optimization methods, at the expense of usually requiring many…

数值分析 · 数学 2024-11-28 Paolo Villani , Daniel Andrés-Arcones , Jörg F. Unger , Martin Weiser

We present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks, normalizing flows, variational auto-encoders, are usually considered as…

机器学习 · 计算机科学 2023-10-24 Yanfang Liu , Minglei Yang , Zezhong Zhang , Feng Bao , Yanzhao Cao , Guannan Zhang

Sampling from various kinds of distributions is an issue of paramount importance in statistics since it is often the key ingredient for constructing estimators, test procedures or confidence intervals. In many situations, the exact sampling…

统计理论 · 数学 2018-11-05 Avetik Karagulyan

Recent years witnessed the development of powerful generative models based on flows, diffusion or autoregressive neural networks, achieving remarkable success in generating data from examples with applications in a broad range of areas. A…

无序系统与神经网络 · 物理学 2024-07-22 Davide Ghio , Yatin Dandi , Florent Krzakala , Lenka Zdeborová

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or…

统计计算 · 统计学 2025-11-04 Paula Cordero-Encinar , Andrew B. Duncan , Sebastian Reich , O. Deniz Akyildiz

Diffusion models have been achieving state-of-the-art results across various generation tasks. However, a notable drawback is their sequential generation process, requiring long-sequence step-by-step generation. Existing methods, such as…

计算机视觉与模式识别 · 计算机科学 2025-08-22 Wenju Xu

Multilevel sampling methods, such as multilevel and multifidelity Monte Carlo, multilevel stochastic collocation, or delayed acceptance Markov chain Monte Carlo, have become standard uncertainty quantification (UQ) tools for a wide class of…

数值分析 · 数学 2025-10-01 Josef Martínek , Erin Carson , Robert Scheichl

We demonstrate how conditional generation from diffusion models can be used to tackle a variety of realistic tasks in the production of music in 44.1kHz stereo audio with sampling-time guidance. The scenarios we consider include…

声音 · 计算机科学 2023-12-06 Mark Levy , Bruno Di Giorgi , Floris Weers , Angelos Katharopoulos , Tom Nickson

Real-time dispatch practices for operating the electric grid in an economic and reliable manner are evolving to accommodate higher levels of renewable energy generation. In particular, stochastic optimization is receiving increased…

最优化与控制 · 数学 2018-06-28 Ryan N. King , Matthew Reynolds , Devon Sigler , Wesley Jones

Divide-and-conquer MCMC is a strategy for parallelising Markov Chain Monte Carlo sampling by running independent samplers on disjoint subsets of a dataset and merging their output. An ongoing challenge in the literature is to efficiently…

机器学习 · 统计学 2024-06-18 C. Trojan , P. Fearnhead , C. Nemeth

We consider the problem of inference for nonlinear, multivariate diffusion processes, satisfying It\^o stochastic differential equations (SDEs), using data at discrete times that may be incomplete and subject to measurement error. Our…

统计计算 · 统计学 2021-09-27 Andrew Golightly , Chris Sherlock

Recent years have seen a rise in the application of machine learning techniques to aid the simulation of hard-to-sample systems that cannot be studied using traditional methods. Despite the introduction of many different architectures and…

无序系统与神经网络 · 物理学 2025-10-09 Luca Maria Del Bono , Federico Ricci-Tersenghi , Francesco Zamponi

Continuous-time generative models have achieved remarkable success in image restoration and synthesis. However, controlling the composition of multiple pre-trained models remains an open challenge. Current approaches largely treat…

机器学习 · 计算机科学 2026-05-20 Riccardo Barbano , Alexander Denker , Zeljko Kereta , Runchang Li , Francisco Vargas

Sequential Monte Carlo (SMC) methods offer a principled approach to Bayesian uncertainty quantification but are traditionally limited by the need for full-batch gradient evaluations. We introduce a scalable variant by incorporating…

机器学习 · 统计学 2025-05-20 Andrew Millard , Zheng Zhao , Joshua Murphy , Simon Maskell

Score-based generative models can effectively learn the distribution of data by estimating the gradient of the distribution. Due to the multi-step denoising characteristic, researchers have recently considered combining score-based…

机器学习 · 计算机科学 2024-12-17 Changyuan Zhao , Hongyang Du , Guangyuan Liu , Dusit Niyato

Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals…

机器学习 · 计算机科学 2026-05-12 Ori Meidler , Shaul Tolkovsky , Or Zuk

Generative models have attracted significant interest due to their ability to handle uncertainty by learning the inherent data distributions. However, two prominent generative models, namely Generative Adversarial Networks (GANs) and…

机器学习 · 计算机科学 2023-04-25 Yu Wang , Zhiwei Liu , Liangwei Yang , Philip S. Yu

Despite the proliferation of generative models, achieving fast sampling during inference without compromising sample diversity and quality remains challenging. Existing models such as Denoising Diffusion Probabilistic Models (DDPM) deliver…

机器学习 · 计算机科学 2023-10-12 Yanwu Xu , Mingming Gong , Shaoan Xie , Wei Wei , Matthias Grundmann , Kayhan Batmanghelich , Tingbo Hou

Diffusion models have indeed shown great promise in solving inverse problems in image processing. In this paper, we propose a novel, problem-agnostic diffusion model called the maximum a posteriori (MAP)-based guided term estimation method…

图像与视频处理 · 电气工程与系统科学 2026-03-10 Pingping Tao , Haixia Liu , Jing Su