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Predicting single-cell perturbation outcomes directly advances gene function analysis and facilitates drug candidate selection, making it a key driver of both basic and translational biomedical research. However, a major bottleneck in this…

Machine Learning · Computer Science 2025-11-18 Changxi Chi , Yufei Huang , Jun Xia , Jiangbin Zheng , Yunfan Liu , Zelin Zang , Stan Z. Li

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually…

Machine Learning · Computer Science 2022-11-23 Valentin De Bortoli , Emile Mathieu , Michael Hutchinson , James Thornton , Yee Whye Teh , Arnaud Doucet

Modeling the dynamics from sparsely time-resolved snapshot data is crucial for understanding complex cellular processes and behavior. Existing methods leverage optimal transport, Schr\"odinger bridge theory, or their variants to…

Machine Learning · Computer Science 2025-10-28 Zhenyi Zhang , Zihan Wang , Yuhao Sun , Tiejun Li , Peijie Zhou

The unfolding of detector effects is crucial for the comparison of data to theory predictions. While traditional methods are limited to representing the data in a low number of dimensions, machine learning has enabled new unfolding…

High Energy Physics - Phenomenology · Physics 2024-01-12 Mathias Backes , Anja Butter , Monica Dunford , Bogdan Malaescu

The design of mean and variance schedules for the perturbed signal is a fundamental challenge in generative models. While score-based and Schr\"odinger bridge-based models require careful selection of the stochastic differential equation to…

Sound · Computer Science 2025-09-10 Taihui Wang , Rilin Chen , Tong Lei , Andong Li , Jinzheng Zhao , Meng Yu , Dong Yu

In this work, we look at Score-based generative models (also called diffusion generative models) from a geometric perspective. From a new view point, we prove that both the forward and backward process of adding noise and generating from…

Machine Learning · Computer Science 2023-02-10 Sandesh Ghimire , Jinyang Liu , Armand Comas , Davin Hill , Aria Masoomi , Octavia Camps , Jennifer Dy

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…

Machine Learning · Computer Science 2026-03-03 Denis Blessing , Lorenz Richter , Julius Berner , Egor Malitskiy , Gerhard Neumann

We present a method to downscale idealized geophysical fluid simulations using generative models based on diffusion maps. By analyzing the Fourier spectra of images drawn from different data distributions, we show how one can chain together…

Machine Learning · Computer Science 2023-05-04 Tobias Bischoff , Katherine Deck

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Soumik Mukhopadhyay , Matthew Gwilliam , Vatsal Agarwal , Namitha Padmanabhan , Archana Swaminathan , Srinidhi Hegde , Tianyi Zhou , Abhinav Shrivastava

Generative modeling can be formulated as learning a mapping f such that its pushforward distribution matches the data distribution. The pushforward behavior can be carried out iteratively at inference time, for example in diffusion and…

Machine Learning · Computer Science 2026-02-09 Mingyang Deng , He Li , Tianhong Li , Yilun Du , Kaiming He

We use a tensor unfolding technique to prove a new identifiability result for discrete bipartite graphical models, which have a bipartite graph between an observed and a latent layer. This model family includes popular models such as…

Statistics Theory · Mathematics 2025-01-22 Yuqi Gu

We propose a hybrid generative model for efficient sampling of high-dimensional, multimodal probability distributions for Bayesian inference. Traditional Monte Carlo methods, such as the Metropolis-Hastings and Langevin Monte Carlo sampling…

Machine Learning · Statistics 2025-05-14 Hoang Tran , Zezhong Zhang , Feng Bao , Dan Lu , Guannan Zhang

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

Using unfolded top-quark decay data we can measure the top quark mass, as well as search for unexpected kinematic effects. We present a new generative unfolding method for the two tasks and show how they both benefit from unbinned,…

High Energy Physics - Phenomenology · Physics 2025-08-20 Luigi Favaro , Roman Kogler , Alexander Paasch , Sofia Palacios Schweitzer , Tilman Plehn , Dennis Schwarz

Financial time series forecasting is particularly challenging for transformer-based time series foundation models (TSFMs) due to non-stationarity, heavy-tailed distributions, and high-frequency noise present in data. Low-rank adaptation…

Machine Learning · Computer Science 2026-02-02 Anthony Bolton , Wuyang Zhou , Zehua Chen , Giorgos Iacovides , Danilo Mandic

Deep unfolding networks have recently gained popularity in the context of solving imaging inverse problems. However, the computational and memory complexity of data-consistency layers within traditional deep unfolding networks scales with…

Image and Video Processing · Electrical Eng. & Systems 2021-06-04 Jiaming Liu , Yu Sun , Weijie Gan , Xiaojian Xu , Brendt Wohlberg , Ulugbek S. Kamilov

Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…

Machine Learning · Computer Science 2025-10-17 Daniel Saragih , Deyu Cao , Tejas Balaji

One of the major applications of generative models for drug Discovery targets the lead-optimization phase. During the optimization of a lead series, it is common to have scaffold constraints imposed on the structure of the molecules…

Quantitative Methods · Quantitative Biology 2021-01-05 Maxime Langevin , Herve Minoux , Maximilien Levesque , Marc Bianciotto

Heralded by the initial success in speech recognition and image classification, learning-based approaches with neural networks, commonly referred to as deep learning, have spread across various fields. A primitive form of a neural network…

Robotics · Computer Science 2024-09-02 Takuma Yoneda

We propose a manifold matching approach to generative models which includes a distribution generator (or data generator) and a metric generator. In our framework, we view the real data set as some manifold embedded in a high-dimensional…

Computer Vision and Pattern Recognition · Computer Science 2021-08-30 Mengyu Dai , Haibin Hang