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Understanding the neural basis of behavior is a fundamental goal in neuroscience. Current research in large-scale neuro-behavioral data analysis often relies on decoding models, which quantify behavioral information in neural data but lack…

Neurons and Cognition · Quantitative Biology 2024-11-27 Yule Wang , Chengrui Li , Weihan Li , Anqi Wu

Existing music generation models are mostly language-based, neglecting the frequency continuity property of notes, resulting in inadequate fitting of rare or never-used notes and thus reducing the diversity of generated samples. We argue…

Sound · Computer Science 2024-08-06 Shipei Liu , Xiaoya Fan , Guowei Wu

Predicting the effects of perturbations in-silico on cell state can identify drivers of cell behavior at scale and accelerate drug discovery. However, modeling challenges remain due to the inherent heterogeneity of single cell gene…

Diffusion and flow-based models have enabled significant progress in generation tasks across various modalities and have recently found applications in predictive learning. However, unlike typical generation tasks that encourage sample…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yu Zhang , Xingzhuo Guo , Haoran Xu , Jialong Wu , Mingsheng Long

Diffusion models have demonstrated highly-expressive generative capabilities in vision and NLP. Recent studies in reinforcement learning (RL) have shown that diffusion models are also powerful in modeling complex policies or trajectories in…

Machine Learning · Computer Science 2023-10-11 Haoran He , Chenjia Bai , Kang Xu , Zhuoran Yang , Weinan Zhang , Dong Wang , Bin Zhao , Xuelong Li

Building a virtual cell capable of accurately simulating cellular behaviors in silico has long been a dream in computational biology. We introduce CellFlux, an image-generative model that simulates cellular morphology changes induced by…

We train a neural network to predict distributional responses in gene expression following genetic perturbations. This is an essential task in early-stage drug discovery, where such responses can offer insights into gene function and inform…

This paper introduces UnDiff, a diffusion probabilistic model capable of solving various speech inverse tasks. Being once trained for speech waveform generation in an unconditional manner, it can be adapted to different tasks including…

Recent innovations in diffusion probabilistic models have paved the way for significant progress in image, text and audio generation, leading to their applications in generative time series forecasting. However, leveraging such abilities to…

Machine Learning · Computer Science 2025-11-07 Yuansan Liu , Sudanthi Wijewickrema , Dongting Hu , Christofer Bester , Stephen O'Leary , James Bailey

We consider the inference problem for parameters in stochastic differential equation models from discrete time observations (e.g. experimental or simulation data). Specifically, we study the case where one does not have access to…

Numerical Analysis · Mathematics 2018-04-10 Sebastian Krumscheid

Generating physically plausible human motion is crucial for applications such as character animation and virtual reality. Existing approaches often incorporate a simulator-based motion projection layer to the diffusion process to enforce…

Computer Vision and Pattern Recognition · Computer Science 2025-09-26 Akihisa Watanabe , Jiawei Ren , Li Siyao , Yichen Peng , Erwin Wu , Edgar Simo-Serra

Planning effective interventions in biological systems requires treatment-effect models that adapt to unseen biological contexts by identifying their specific underlying mechanisms. Yet single-cell perturbation datasets span only a handful…

Machine Learning · Computer Science 2026-05-08 Marvin Sextro , Weronika Kłos , Gabriel Dernbach

Targeting to understand the underlying explainable factors behind observations and modeling the conditional generation process on these factors, we connect disentangled representation learning to Diffusion Probabilistic Models (DPMs) to…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Tao Yang , Yuwang Wang , Yan Lv , Nanning Zheng

Crowd counting is a fundamental problem in crowd analysis which is typically accomplished by estimating a crowd density map and summing over the density values. However, this approach suffers from background noise accumulation and loss of…

Computer Vision and Pattern Recognition · Computer Science 2024-04-05 Yasiru Ranasinghe , Nithin Gopalakrishnan Nair , Wele Gedara Chaminda Bandara , Vishal M. Patel

As one of the most successful generative models, diffusion models have demonstrated remarkable efficacy in synthesizing high-quality images. These models learn the underlying high-dimensional data distribution in an unsupervised manner.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Min Hou , Yueying Wu , Chang Xu , Yu-Hao Huang , Chenxi Bai , Le Wu , Jiang Bian

The function of biomolecules such as proteins depends on their ability to interconvert between a wide range of structures or "conformations." Researchers have endeavored for decades to develop computational methods to predict the…

Biomolecules · Quantitative Biology 2026-02-05 Daniel D. Richman , Jessica Karaguesian , Carl-Mikael Suomivuori , Ron O. Dror

A common challenge in the natural sciences is to disentangle distinct, unknown sources from observations. Examples of this source separation task include deblending galaxies in a crowded field, distinguishing the activity of individual…

Machine Learning · Computer Science 2025-10-08 Sebastian Wagner-Carena , Aizhan Akhmetzhanova , Sydney Erickson

Diffusion models are a special type of generative model, capable of synthesising new data from a learnt distribution. We introduce DISPR, a diffusion-based model for solving the inverse problem of three-dimensional (3D) cell shape…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Dominik J. E. Waibel , Ernst Röell , Bastian Rieck , Raja Giryes , Carsten Marr

Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative…

Machine Learning · Computer Science 2022-03-16 Minkai Xu , Lantao Yu , Yang Song , Chence Shi , Stefano Ermon , Jian Tang

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu