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Molecular generation conditioned on textual descriptions is a fundamental task in computational chemistry and drug discovery. Existing methods often struggle to simultaneously ensure high-quality, diverse generation and fast inference. In…

Machine Learning · Computer Science 2025-08-08 Md Atik Ahamed , Qiang Ye , Qiang Cheng

Spatial profiling technologies in biology, such as imaging mass cytometry (IMC) and spatial transcriptomics (ST), generate high-dimensional, multi-channel data with strong spatial alignment and complex inter-channel relationships.…

Machine Learning · Computer Science 2025-07-08 Haoran Zhang , Mingyuan Zhou , Wesley Tansey

Recent conditional image generation methods produce images of remarkable diversity, fidelity and realism. However, the majority of these methods allow conditioning only on labels or text prompts, which limits their level of control over the…

Computer Vision and Pattern Recognition · Computer Science 2023-02-14 Dina Bashkirova , Jose Lezama , Kihyuk Sohn , Kate Saenko , Irfan Essa

Generative AI (GenAI) has demonstrated remarkable capabilities in code generation, and its integration into complex product modeling and simulation code generation can significantly enhance the efficiency of the system design phase in…

Software Engineering · Computer Science 2025-03-11 Lin Zhang , Yuteng Zhang , Dusit Niyato , Lei Ren , Pengfei Gu , Zhen Chen , Yuanjun Laili , Wentong Cai , Agostino Bruzzone

Recently, molecule generation using deep learning has been actively investigated in drug discovery. In this field, Transformer and VAE are widely used as powerful models, but they are rarely used in combination due to structural and…

Biomolecules · Quantitative Biology 2024-04-08 Yasuhiro Yoshikai , Tadahaya Mizuno , Shumpei Nemoto , Hiroyuki Kusuhara

This paper proposes the novel task of video generation conditioned on a SINGLE semantic label map, which provides a good balance between flexibility and quality in the generation process. Different from typical end-to-end approaches, which…

Computer Vision and Pattern Recognition · Computer Science 2019-03-12 Junting Pan , Chengyu Wang , Xu Jia , Jing Shao , Lu Sheng , Junjie Yan , Xiaogang Wang

The image-to-image generation task aims to produce controllable images by leveraging conditional inputs and prompt instructions. However, existing methods often train separate control branches for each type of condition, leading to…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Guoqing Zhang , Xingtong Ge , Lu Shi , Xin Zhang , Muqing Xue , Wanru Xu , Yigang Cen , Yidong Li

We introduce Generator Matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a…

Machine Learning · Computer Science 2025-02-28 Peter Holderrieth , Marton Havasi , Jason Yim , Neta Shaul , Itai Gat , Tommi Jaakkola , Brian Karrer , Ricky T. Q. Chen , Yaron Lipman

Understanding the mechanism of generative adversarial networks (GANs) helps us better use GANs for downstream applications. Existing efforts mainly target interpreting unconditional models, leaving it less explored how a conditional GAN…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Yingqing He , Zhiyi Zhang , Jiapeng Zhu , Yujun Shen , Qifeng Chen

We present a systematic evaluation framework - thirty-seven analyses, 153 statistical tests, four cell types, two perturbation modalities - for assessing mechanistic interpretability in single-cell foundation models. Applying this framework…

Genomics · Quantitative Biology 2026-02-20 Ihor Kendiukhov

Advances in single-cell omics allow for unprecedented insights into the transcription profiles of individual cells. When combined with large-scale perturbation screens, through which specific biological mechanisms can be targeted, these…

Machine Learning · Computer Science 2023-10-24 Alejandro Tejada-Lapuerta , Paul Bertin , Stefan Bauer , Hananeh Aliee , Yoshua Bengio , Fabian J. Theis

The modeling of time series is becoming increasingly critical in a wide variety of applications. Overall, data evolves by following different patterns, which are generally caused by different user behaviors. Given a time series, we define…

Machine Learning · Computer Science 2022-07-13 Wenjie Hu , Jianping Huang , Liang Wu , Yang Yang , Zongtao Liu , Zhanlin Sun , Bingshen Yao , Ke Chen

The chemical space of drug-like molecules is vast, motivating the development of generative models that must learn broad chemical distributions, enable conditional generation by capturing structure-property representations, and provide fast…

Given a large dataset for training, generative adversarial networks (GANs) can achieve remarkable performance for the image synthesis task. However, training GANs in extremely low data regimes remains a challenge, as overfitting often…

Computer Vision and Pattern Recognition · Computer Science 2023-12-14 Vadim Sushko , Dan Zhang , Juergen Gall , Anna Khoreva

We study the problem of conditional generative modeling based on designated semantics or structures. Existing models that build conditional generators either require massive labeled instances as supervision or are unable to accurately…

Machine Learning · Computer Science 2017-11-06 Zhijie Deng , Hao Zhang , Xiaodan Liang , Luona Yang , Shizhen Xu , Jun Zhu , Eric P. Xing

Multi-modal medical image completion has been extensively applied to alleviate the missing modality issue in a wealth of multi-modal diagnostic tasks. However, for most existing synthesis methods, their inferences of missing modalities can…

Image and Video Processing · Electrical Eng. & Systems 2022-07-08 Xiangxi Meng , Yuning Gu , Yongsheng Pan , Nizhuan Wang , Peng Xue , Mengkang Lu , Xuming He , Yiqiang Zhan , Dinggang Shen

Generative models have thrived in computer vision, enabling unprecedented image processes. Yet the results in audio remain less advanced. Our project targets real-time sound synthesis from a reduced set of high-level parameters, including…

Sound · Computer Science 2019-06-25 Adrien Bitton , Philippe Esling , Antoine Caillon , Martin Fouilleul

Sequencing technologies have revolutionised the field of molecular biology. We now have the ability to routinely capture the complete RNA profile in tissue samples. This wealth of data allows for comparative analyses of RNA levels at…

Methodology · Statistics 2024-07-01 Franziska Hoerbst , Gurpinder Singh Sidhu , Melissa Tomkins , Richard J. Morris

Foundation models for single-cell RNA sequencing (scRNA-seq) have shown promising capabilities in capturing gene expression patterns. However, current approaches face critical limitations: they ignore biological prior knowledge encoded in…

Machine Learning · Computer Science 2025-03-04 Mufan Qiu , Xinyu Hu , Fengwei Zhan , Sukwon Yun , Jie Peng , Ruichen Zhang , Bhavya Kailkhura , Jiekun Yang , Tianlong Chen

We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…

Numerical Analysis · Mathematics 2025-09-24 Xuelong Gu , Qi Wang