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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…

Many biological systems evolve through continuous local dynamics while switching between latent regimes defined by learning, stimulus context, internal state, or developmental stage. These processes are often observed only as unpaired…

Machine Learning · Computer Science 2026-05-12 Josue Ortega Caro , Yongxu Zhang , Hannah M Batchelor , Sizhuang He , Jessica Cardin , Shreya Saxena

Simulating in silico cellular responses to interventions is a promising direction to accelerate high-content image-based assays, critical for advancing drug discovery and gene editing. To support this, we introduce MorphGen, a…

Quantitative Methods · Quantitative Biology 2025-10-13 Berker Demirel , Marco Fumero , Theofanis Karaletsos , Francesco Locatello

Flow-matching generative models are increasingly used to simulate cell responses to biological perturbations. However, the design space for building such models is large and underexplored. We systematically analyse the design space of flow…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Charles Jones , Emmanuel Noutahi , Jason Hartford , Cian Eastwood

Despite recent advances in deep generative modeling, skin lesion classification systems remain constrained by the limited availability of large, diverse, and well-annotated clinical datasets, resulting in class imbalance between benign and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Stathis Galanakis , Alexandros Koliousis , Stefanos Zafeiriou

Building Virtual Cells that can accurately simulate cellular responses to perturbations is a long-standing goal in systems biology. A fundamental challenge is that high-throughput single-cell sequencing is destructive: the same cell cannot…

Machine Learning · Computer Science 2026-02-24 Xinyu Yuan , Xixian Liu , Ya Shi Zhang , Zuobai Zhang , Hongyu Guo , Jian Tang

Understanding how cells respond to external stimuli is a central challenge in biomedical research and drug development. Current computational frameworks for modelling cellular responses remain restricted to two-dimensional representations,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Reed Naidoo , Matt De Vries , Olga Fourkioti , Vicky Bousgouni , Mar Arias-Garcia , Maria Portillo-Malumbres , Chris Bakal

Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in…

Machine Learning · Computer Science 2025-02-18 Sohil Atul Shah , Vladlen Koltun

Generative models for image generation are now commonly used for a wide variety of applications, ranging from guided image generation for entertainment to solving inverse problems. Nonetheless, training a generator is a non-trivial feat…

Machine Learning · Computer Science 2025-03-07 Eldad Haber , Shadab Ahamed , Md. Shahriar Rahim Siddiqui , Niloufar Zakariaei , Moshe Eliasof

In this paper, we aim to synthesize cell microscopy images under different molecular interventions, motivated by practical applications to drug development. Building on the recent success of graph neural networks for learning molecular…

Biomolecules · Quantitative Biology 2020-06-16 Karren Yang , Samuel Goldman , Wengong Jin , Alex Lu , Regina Barzilay , Tommi Jaakkola , Caroline Uhler

In pathology image analysis, obtaining and maintaining high-quality annotated samples is an extremely labor-intensive task. To overcome this challenge, mixing-based methods have emerged as effective alternatives to traditional preprocessing…

Computer Vision and Pattern Recognition · Computer Science 2023-07-25 Tianyi Zhang , Zhiling Yan , Chunhui Li , Nan Ying , Yanli Lei , Yunlu Feng , Yu Zhao , Guanglei Zhang

Morphing is a long-standing problem in vision and computer graphics, requiring a time-dependent warping for feature alignment and a blending for smooth interpolation. Recently, multilayer perceptrons (MLPs) have been explored as implicit…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Arthur Bizzi , Matias Grynberg , Vitor Matias , Daniel Perazzo , João Paulo Lima , Luiz Velho , Nuno Gonçalves , João Pereira , Guilherme Schardong , Tiago Novello

The ocean is filled with microscopic microalgae called phytoplankton, which together are responsible for as much photosynthesis as all plants on land combined. Our ability to predict their response to the warming ocean relies on…

Applications · Statistics 2022-08-05 Sangwon Hyun , Mattias Rolf Cape , Francois Ribalet , Jacob Bien

Modeling transformations between arbitrary data distributions is a fundamental scientific challenge, arising in applications like drug discovery and evolutionary simulation. While flow matching offers a natural framework for this task, its…

Machine Learning · Computer Science 2025-10-09 Shiye Su , Yuhui Zhang , Linqi Zhou , Rajesh Ranganath , Serena Yeung-Levy

Human action-reaction synthesis, a fundamental challenge in modeling causal human interactions, plays a critical role in applications ranging from virtual reality to social robotics. While diffusion-based models have demonstrated promising…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Wentao Jiang , Jingya Wang , Kaiyang Ji , Baoxiong Jia , Siyuan Huang , Ye Shi

Reliable medical image classification requires accurate predictions and well-calibrated uncertainty estimates, especially in high-stakes clinical settings. This work presents MedSymmFlow, a generative-discriminative hybrid model built on…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Francisco Caetano , Lemar Abdi , Christiaan Viviers , Amaan Valiuddin , Fons van der Sommen

We explore the oscillatory behavior observed in inversion methods applied to large-scale text-to-image diffusion models, with a focus on the "Flux" model. By employing a fixed-point-inspired iterative approach to invert real-world images,…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Yan Zheng , Zhenxiao Liang , Xiaoyan Cong , Lanqing guo , Yuehao Wang , Peihao Wang , Zhangyang Wang

Cellular differentiation is governed by gene regulatory networks, the high-dimensional stochastic biochemical systems that determine the transcriptional landscape and mediate cellular responses to signals and perturbations. Although…

Molecular Networks · Quantitative Biology 2026-04-29 Suryanarayana Maddu , Victor Chardès , Michael J. Shelley

The growing demand for text-to-image generation has led to rapid advances in generative modeling. Recently, text-to-image diffusion models trained with flow matching algorithms, such as FLUX, have achieved remarkable progress and emerged as…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Zikai Zhou , Muyao Wang , Shitong Shao , Lichen Bai , Haoyi Xiong , Bo Han , Zeke Xie

Motion generation is essential for animating virtual characters and embodied agents. While recent text-driven methods have made significant strides, they often struggle with achieving precise alignment between linguistic descriptions and…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Zhiting Gao , Dan Song , Diqiong Jiang , Chao Xue , An-An Liu
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