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Mean flow (MeanFlow) enables efficient, high-fidelity image generation, yet its single-function evaluation (1-NFE) generation often cannot yield compelling results. We address this issue by introducing RMFlow, an efficient multimodal…

Machine Learning · Computer Science 2026-02-03 Yuhao Huang , Shih-Hsin Wang , Andrea L. Bertozzi , Bao Wang

MeanFlow (MF) has recently been established as a framework for one-step generative modeling. However, its ``fastforward'' nature introduces key challenges in both the training objective and the guidance mechanism. First, the original MF's…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Zhengyang Geng , Yiyang Lu , Zongze Wu , Eli Shechtman , J. Zico Kolter , Kaiming He

Recent progress of deep generative models in the vision and language domain has stimulated significant interest in more structured data generation such as molecules. However, beyond generating new random molecules, efficient exploration and…

Machine Learning · Computer Science 2024-11-08 Guanghao Wei , Yining Huang , Chenru Duan , Yue Song , Yuanqi Du

Learning versatile, fine-grained representations from irregular event streams is pivotal yet nontrivial, primarily due to the heavy annotation that hinders scalability in dataset size, semantic richness, and application scope. To mitigate…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Zhiwen Chen , Junhui Hou , Zhiyu Zhu , Jinjian Wu , Guangming Shi

Diffusion models have emerged as powerful generative models, but their high computation cost in iterative sampling remains a significant bottleneck. In this work, we present an in-depth and insightful study of state-of-the-art acceleration…

Computer Vision and Pattern Recognition · Computer Science 2025-11-19 Weizhi Gao , Zhichao Hou , Junqi Yin , Feiyi Wang , Linyu Peng , Xiaorui Liu

Continuous Normalizing Flows (CNFs) enable elegant generative modeling but remain bottlenecked by slow sampling: producing a single sample requires solving a nonlinear ODE with hundreds of function evaluations. Recent approaches such as…

Machine Learning · Computer Science 2025-10-23 Erkan Turan , Aristotelis Siozopoulos , Louis Martinez , Julien Gaubil , Emery Pierson , Maks Ovsjanikov

The powerful generalization of Vision-Language-Action (VLA) models is bottlenecked by their heavy reliance on massive, redundant, and unevenly valued datasets, hindering their widespread application. Existing model-centric optimization…

Robotics · Computer Science 2025-11-21 Kewei Chen , Yayu Long , Shuai Li , Mingsheng Shang

We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…

Machine Learning · Computer Science 2021-06-03 Youzhi Luo , Keqiang Yan , Shuiwang Ji

Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…

Machine Learning · Statistics 2021-05-28 Pietro Bongini , Monica Bianchini , Franco Scarselli

Flow-based generative models have greatly improved text-to-speech (TTS) synthesis quality, but inference speed remains limited by the iterative sampling process and multiple function evaluations (NFE). The recent MeanFlow model accelerates…

Sound · Computer Science 2025-10-10 Wei Wang , Rong Cao , Yi Guo , Zhengyang Chen , Kuan Chen , Yuanyuan Huo

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled…

Machine Learning · Computer Science 2024-07-23 Heli Ben-Hamu , Omri Puny , Itai Gat , Brian Karrer , Uriel Singer , Yaron Lipman

Multistep inference is a bottleneck for real-time generative speech enhancement because flow- and diffusion-based systems learn an instantaneous velocity field and therefore rely on iterative ordinary differential equation (ODE) solvers. We…

Sound · Computer Science 2026-03-05 Duojia Li , Shenghui Lu , Hongchen Pan , Zongyi Zhan , Qingyang Hong , Lin Li

Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forward-noising, and many flow-matching methods start from…

Machine Learning · Computer Science 2026-02-02 Yida Xiong , Jiameng Chen , Xiuwen Gong , Jia Wu , Shirui Pan , Wenbin Hu

Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. While recent generative models provide continuous latent…

Machine Learning · Computer Science 2026-03-31 Alexander Arjun Lobo , Urvi Awasthi , Leonid Zhukov

We introduce FragFM, a novel hierarchical framework via fragment-level discrete flow matching for efficient molecular graph generation. FragFM generates molecules at the fragment level, leveraging a coarse-to-fine autoencoder to reconstruct…

Machine Learning · Computer Science 2026-03-09 Joongwon Lee , Seonghwan Kim , Seokhyun Moon , Hyunwoo Kim , Woo Youn Kim

Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing…

Machine Learning · Computer Science 2020-02-28 Chence Shi , Minkai Xu , Zhaocheng Zhu , Weinan Zhang , Ming Zhang , Jian Tang

Energy-based models (EBMs) are a powerful class of probabilistic generative models due to their flexibility and interpretability. However, relationships between potential flows and explicit EBMs remain underexplored, while contrastive…

The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity of their structural design space. Conventional computational…

Machine Learning · Computer Science 2025-06-03 Srivathsan Badrinarayanan , Rishikesh Magar , Akshay Antony , Radheesh Sharma Meda , Amir Barati Farimani

Inferring spatial transcriptomics (ST) from histology enables scalable histogenomic profiling, yet current methods are largely restricted to single-tissue models. This fragmentation fails to leverage biological principles shared across…

Machine Learning · Computer Science 2026-05-13 Susu Hu , Stefanie Speidel

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to…

Machine Learning · Computer Science 2026-05-04 Dongyeop Woo , Marta Skreta , Seonghyun Park , Kirill Neklyudov , Sungsoo Ahn