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Given two boundary distributions, the Schr\"odinger Bridge (SB) problem seeks the ``most likely`` random evolution between them with respect to a reference process. It has revealed rich connections to recent machine learning methods for…

机器学习 · 计算机科学 2025-06-03 Maosheng Yang

The dynamic Schr\"odinger bridge problem provides an appealing setting for solving constrained time-series data generation tasks posed as optimal transport problems. It consists of learning non-linear diffusion processes using efficient…

机器学习 · 计算机科学 2023-11-27 Ella Tamir , Martin Trapp , Arno Solin

Stochastic neural networks such as Restricted Boltzmann Machines (RBMs) have been successfully used in applications ranging from speech recognition to image classification. Inference and learning in these algorithms use a Markov Chain Monte…

A central goal in systems biology and drug discovery is to predict the transcriptional response of cells to perturbations. This task is challenging due to the noisy and sparse nature of single-cell measurements, as well as the fact that…

定量方法 · 定量生物学 2026-02-10 Chenglei Yu , Chuanrui Wang , Bangyan Liao , Tailin Wu

Diffusion models are powerful generative models that map noise to data using stochastic processes. However, for many applications such as image editing, the model input comes from a distribution that is not random noise. As such, diffusion…

计算机视觉与模式识别 · 计算机科学 2023-12-06 Linqi Zhou , Aaron Lou , Samar Khanna , Stefano Ermon

Progressively applying Gaussian noise transforms complex data distributions to approximately Gaussian. Reversing this dynamic defines a generative model. When the forward noising process is given by a Stochastic Differential Equation (SDE),…

机器学习 · 统计学 2023-04-06 Valentin De Bortoli , James Thornton , Jeremy Heng , Arnaud Doucet

The momentum Schr\"odinger Bridge (mSB) has emerged as a leading method for accelerating generative diffusion processes and reducing transport costs. However, the lack of simulation-free properties inevitably results in high training costs…

机器学习 · 统计学 2025-01-29 Kevin Rojas , Yixin Tan , Molei Tao , Yuriy Nevmyvaka , Wei Deng

Recent advancements in optimization-based text-to-3D generation heavily rely on distilling knowledge from pre-trained text-to-image diffusion models using techniques like Score Distillation Sampling (SDS), which often introduce artifacts…

计算机视觉与模式识别 · 计算机科学 2025-11-11 Ziying Li , Xuequan Lu , Xinkui Zhao , Guanjie Cheng , Shuiguang Deng , Jianwei Yin

The Schr\"odinger Bridge (SB) problem offers a powerful framework for combining optimal transport and diffusion models. A promising recent approach to solve the SB problem is the Iterative Markovian Fitting (IMF) procedure, which alternates…

机器学习 · 计算机科学 2024-11-06 Nikita Gushchin , Daniil Selikhanovych , Sergei Kholkin , Evgeny Burnaev , Alexander Korotin

In this work, we revisit the discrete-time Schr\"{o}dinger Bridge (SB) and Density Steering (DS) problems for Gaussian mixture model (GMM) boundary distributions. Building on the existing literature, we construct a set of feasible Markovian…

系统与控制 · 电气工程与系统科学 2026-04-02 George Rapakoulias , Fengjiao Liu , Panagiotis Tsiotras

Diffusion Schr\"odinger bridges (DSB) have recently emerged as a powerful framework for recovering stochastic dynamics via their marginal observations at different time points. Despite numerous successful applications, existing algorithms…

Structure-based drug design (SBDD) aims to generate 3D ligand molecules that bind to specific protein targets. Existing 3D deep generative models including diffusion models have shown great promise for SBDD. However, it is complex to…

生物大分子 · 定量生物学 2024-03-01 Zhilin Huang , Ling Yang , Zaixi Zhang , Xiangxin Zhou , Yu Bao , Xiawu Zheng , Yuwei Yang , Yu Wang , Wenming Yang

Tandem mass spectrometry (MS/MS) is a high-throughput technology used toidentify the proteins in a complex biological sample, such as a drop of blood. A collection of spectra is generated at the output of the process, each spectrum of which…

定量方法 · 定量生物学 2019-09-06 John T. Halloran , David M. Rocke

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

生物大分子 · 定量生物学 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

Modern methods of generative modelling and unpaired data translation based on Schr\"odinger bridges and stochastic optimal control theory aim to transform an initial density to a target one in an optimal way. In the present paper, we assume…

机器学习 · 计算机科学 2026-03-24 Nikita Puchkin , Denis Suchkov , Alexey Naumov , Denis Belomestny

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of…

机器学习 · 计算机科学 2024-11-01 Guande He , Kaiwen Zheng , Jianfei Chen , Fan Bao , Jun Zhu

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models…

机器学习 · 统计学 2024-06-07 Andrew Campbell , Jason Yim , Regina Barzilay , Tom Rainforth , Tommi Jaakkola

Denoising Diffusion Probabilistic Models (DDPMs) represent a contemporary class of generative models with exceptional qualities in both synthesis and maximizing the data likelihood. These models work by traversing a forward Markov Chain…

机器学习 · 计算机科学 2024-09-16 Hang Li , Wei Jin , Geri Skenderi , Harry Shomer , Wenzhuo Tang , Wenqi Fan , Jiliang Tang

Sampling from unnormalized densities using diffusion models has emerged as a powerful paradigm. However, while recent approaches that use least-squares `matching' objectives have improved scalability, they often necessitate significant…

机器学习 · 计算机科学 2026-03-03 Denis Blessing , Lorenz Richter , Julius Berner , Egor Malitskiy , Gerhard Neumann

Mass transport problems arise in many areas of machine learning whereby one wants to compute a map transporting one distribution to another. Generative modeling techniques like Generative Adversarial Networks (GANs) and Denoising Diffusion…

机器学习 · 计算机科学 2024-09-17 Valentin De Bortoli , Iryna Korshunova , Andriy Mnih , Arnaud Doucet