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The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

Biomolecules · Quantitative Biology 2019-02-04 Mohammed AlQuraishi

Differential drive robots are widely used in various scenarios thanks to their straightforward principle, from household service robots to disaster response field robots. There are several types of driving mechanisms for real-world…

Robotics · Computer Science 2025-05-30 Mengke Zhang , Nanhe Chen , Hu Wang , Jianxiong Qiu , Zhichao Han , Qiuyu Ren , Chao Xu , Fei Gao , Yanjun Cao

Teleoperation is crucial for hazardous environment operations and serves as a key tool for collecting expert demonstrations in robot learning. However, existing methods face robotic hardware dependency and control frequency mismatches…

Robotics · Computer Science 2025-04-29 Shengjian Fang , Yixuan Zhou , Yu Zheng , Pengyu Jiang , Siyuan Liu , Hesheng Wang

Scaling humanoid foundation models is bottlenecked by the scarcity of robotic data. While massive egocentric human data offers a scalable alternative, bridging the cross-embodiment chasm remains a fundamental challenge due to kinematic…

Robotics · Computer Science 2026-04-22 Boyu Chen , Yi Chen , Lu Qiu , Jerry Bai , Yuying Ge , Yixiao Ge

Text-to-image generation models have achieved remarkable progress in preference optimization, yet achieving robust alignment across diverse reward models remains a significant challenge. Existing multi-reward fusion approaches rely on…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Ying Ba , Tianyu Zhang , Mohan Zhou , Yalong Bai , Wenyi Mo , Guiwei Zhang , Bing Su , Ji-Rong Wen

Prompt tuning, a parameter- and data-efficient transfer learning paradigm that tunes only a small number of parameters in a model's input space, has become a trend in the vision community since the emergence of large vision-language models…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Yuhang Zang , Wei Li , Kaiyang Zhou , Chen Huang , Chen Change Loy

Optimal transport (OT) is attracting increasing attention in machine learning. It aims to transport a source distribution to a target one at minimal cost. In its vanilla form, the source and target distributions are predetermined, which…

Machine Learning · Computer Science 2024-01-23 Liangliang Shi , Zhaoqi Shen , Junchi Yan

The current best practice for computing optimal transport (OT) is via entropy regularization and Sinkhorn iterations. This algorithm runs in quadratic time as it requires the full pairwise cost matrix, which is prohibitively expensive for…

Machine Learning · Computer Science 2022-04-06 Johannes Gasteiger , Marten Lienen , Stephan Günnemann

Many biological questions, including the estimation of deep evolutionary histories and the detection of remote homology between protein sequences, rely upon multiple sequence alignments (MSAs) and phylogenetic trees of large datasets.…

Genomics · Quantitative Biology 2015-04-07 Nam-phuong Nguyen , Siavash Mirarab , Keerthana Kumar , Tandy Warnow

Prompt learning methods are gaining increasing attention due to their ability to customize large vision-language models to new domains using pre-trained contextual knowledge and minimal training data. However, existing works typically rely…

Computer Vision and Pattern Recognition · Computer Science 2024-07-08 Duy M. H. Nguyen , An T. Le , Trung Q. Nguyen , Nghiem T. Diep , Tai Nguyen , Duy Duong-Tran , Jan Peters , Li Shen , Mathias Niepert , Daniel Sonntag

Network traffic classification (NTC) models often suffer severe performance degradation when deployed in real-world environments due to distribution shifts caused by changing network conditions. Existing robustness-enhancing approaches are…

Machine Learning · Computer Science 2026-05-19 Tongze Wang , Xiaohui Xie , Wenduo Wang , Chuyi Wang , Yong Cui

Multimodal Attributed Graphs (MAGs) have been widely adopted for modeling complex systems by integrating multi-modal information, such as text and images, on nodes. However, we identify a discrepancy between the implicit semantic structure…

Machine Learning · Computer Science 2026-02-02 Yilong Zuo , Xunkai Li , Zhihan Zhang , Qiangqiang Dai , Ronghua Li , Guoren Wang

Flow Matching (FM) generative models offer efficient simulation-free training and deterministic sampling, but their practical deployment is challenged by high-precision parameter requirements. We adapt optimal transport (OT)-based…

Machine Learning · Computer Science 2025-11-17 Dara Varam , Diaa A. Abuhani , Imran Zualkernan , Raghad AlDamani , Lujain Khalil

Traditional image stitching methods estimate warps from hand-crafted geometric features, whereas recent learning-based solutions leverage semantic features from neural networks instead. These two lines of research have largely diverged…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yuan Mei , Lang Nie , Kang Liao , Yunqiu Xu , Chunyu Lin , Bin Xiao

Protein inverse folding aims to identify viable amino acid sequences that can fold into given protein structures, enabling the design of novel proteins with desired functions for applications in drug discovery, enzyme engineering, and…

Quantitative Methods · Quantitative Biology 2024-11-05 Taoyu Wu , Yu Guang Wang , Yiqing Shen

Protein retrieval, which targets the deconstruction of the relationship between sequences, structures and functions, empowers the advancing of biology. Basic Local Alignment Search Tool (BLAST), a sequence-similarity-based algorithm, has…

Information Retrieval · Computer Science 2025-01-06 Yuxuan Wu , Xiao Yi , Yang Tan , Huiqun Yu , Guisheng Fan , Gaowei Zheng

Optimal Transport (OT) theory investigates the cost-minimizing transport map that moves a source distribution to a target distribution. Recently, several approaches have emerged for learning the optimal transport map for a given cost…

Machine Learning · Computer Science 2025-04-01 Jaemoo Choi , Yongxin Chen , Jaewoong Choi

Protein design has become a critical method in advancing significant potential for various applications such as drug development and enzyme engineering. However, protein design methods utilizing large language models with solely pretraining…

Artificial Intelligence · Computer Science 2024-12-06 Xiao-Yu Guo , Yi-Fan Li , Yuan Liu , Xiaoyong Pan , Hong-Bin Shen

Conditional Optimal Transport (COT) problem aims to find a transport map between conditional source and target distributions while minimizing the transport cost. Recently, these transport maps have been utilized in conditional generative…

Machine Learning · Computer Science 2026-03-13 Jiwoo Yoon , Kyumin Choi , Jaewoong Choi
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