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Protein inverse folding aims to design an amino acid sequence that will fold into a given backbone structure, serving as a central task in protein design. Two main paradigms have been widely explored. Template-based methods exploit…

Machine Learning · Computer Science 2026-03-17 Yiran Zhu , Changxi Chi , Hongxin Xiang , Wenjie Du , Xiaoqi Wang , Jun Xia

Existing rectified flow models are based on linear trajectories between data and noise distributions. This linearity enforces zero curvature, which can inadvertently force the image generation process through low-probability regions of the…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Yan Luo , Drake Du , Hao Huang , Yi Fang , Mengyu Wang

Object pose estimation is a fundamental problem in computer vision and plays a critical role in virtual reality and embodied intelligence, where agents must understand and interact with objects in 3D space. Recently, score based generative…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Diya He , Qingchen Liu , Cong Zhang , Jiahu Qin

Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative models that learn from sequences alone or from sequences and…

Biomolecules · Quantitative Biology 2021-11-15 Igor Melnyk , Payel Das , Vijil Chenthamarakshan , Aurelie Lozano

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the development of machine learning algorithms for this task has…

Machine Learning · Computer Science 2024-11-05 Yiheng Zhu , Jialu Wu , Qiuyi Li , Jiahuan Yan , Mingze Yin , Wei Wu , Mingyang Li , Jieping Ye , Zheng Wang , Jian Wu

We propose an inference-time scaling approach for pretrained flow models. Recently, inference-time scaling has gained significant attention in LLMs and diffusion models, improving sample quality or better aligning outputs with user…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Jaihoon Kim , Taehoon Yoon , Jisung Hwang , Minhyuk Sung

Recent advances in imitation learning for 3D robotic manipulation have shown promising results with diffusion-based policies. However, achieving human-level dexterity requires seamless integration of geometric precision and semantic…

Generative modeling over discrete data has recently seen numerous success stories, with applications spanning language modeling, biological sequence design, and graph-structured molecular data. The predominant generative modeling paradigm…

Machine Learning · Computer Science 2024-11-01 Oscar Davis , Samuel Kessler , Mircea Petrache , İsmail İlkan Ceylan , Michael Bronstein , Avishek Joey Bose

Flow Matching (FM) is a recent generative modelling technique: we aim to learn how to sample from distribution $\mathfrak{X}_1$ by flowing samples from some distribution $\mathfrak{X}_0$ that is easy to sample from. The key trick is that…

Differential Geometry · Mathematics 2025-10-24 Finn M. Sherry , Bart M. N. Smets

Deep learning models have emerged as a powerful tool for various medical applications. However, their success depends on large, high-quality datasets that are challenging to obtain due to privacy concerns and costly annotation. Generative…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Milad Yazdani , Yasamin Medghalchi , Pooria Ashrafian , Ilker Hacihaliloglu , Dena Shahriari

RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural…

Biomolecules · Quantitative Biology 2024-04-18 Han Huang , Ziqian Lin , Dongchen He , Liang Hong , Yu Li

Protein fitness optimization is challenged by a vast combinatorial landscape where high-fitness variants are extremely sparse. Many current methods either underperform or require computationally expensive gradient-based sampling. We present…

Flow Matching (FM) models achieve remarkable results in generative tasks. Building upon diffusion models, FM's simulation-free training paradigm enables simplicity and efficiency but introduces a train-inference gap: model outputs cannot be…

Machine Learning · Computer Science 2026-01-30 Zhaoyi Li , Jingtao Ding , Yong Li , Shihua Li

Generative models based on dynamical equations such as flows and diffusions offer exceptional sample quality, but require computationally expensive numerical integration during inference. The advent of consistency models has enabled…

Machine Learning · Computer Science 2025-06-04 Nicholas M. Boffi , Michael S. Albergo , Eric Vanden-Eijnden

Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing computational power and evolution of specialized…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-18 Hyungro Lee , Heng Ma , Matteo Turilli , Debsindhu Bhowmik , Shantenu Jha , Arvind Ramanathan

Generative models have excelled in audio tasks using approaches such as language models, diffusion, and flow matching. However, existing generative approaches for speech enhancement (SE) face notable challenges: language model-based methods…

Audio and Speech Processing · Electrical Eng. & Systems 2025-05-28 Ziqian Wang , Zikai Liu , Xinfa Zhu , Yike Zhu , Mingshuai Liu , Jun Chen , Longshuai Xiao , Chao Weng , Lei Xie

Conditional Flow Matching (CFM) models can generate high-quality samples from a non-informative prior, but they can be slow, often needing hundreds of network evaluations (NFE). To address this, we propose Implicit Dynamical Flow Fusion…

Machine Learning · Computer Science 2025-05-28 Mohammad R. Rezaei , Milos R. Popovic , Milad Lankarany , Rahul G. Krishnan

Learning matrix-valued distributions from high-dimensional and possibly incomplete training data is challenging: ambient-space generative modeling is computationally expensive and statistically fragile when the matrix dimension is large but…

Machine Learning · Computer Science 2026-04-29 Dongze Wu , Linglingzhi Zhu , Yao Xie

Developing efficient and accurate visuomotor policies poses a central challenge in robotic imitation learning. While recent rectified flow approaches have advanced visuomotor policy learning, they suffer from a key limitation: After…

Robotics · Computer Science 2025-11-12 Rong Xue , Jiageng Mao , Mingtong Zhang , Yue Wang

Strong semantic representations improve the convergence and generation quality of diffusion and flow models. Existing approaches largely rely on external models, which require separate training, operate on misaligned objectives, and exhibit…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Hila Chefer , Patrick Esser , Dominik Lorenz , Dustin Podell , Vikash Raja , Vinh Tong , Antonio Torralba , Robin Rombach