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Structure-based drug design (SBDD), which aims to generate molecules that can bind tightly to the target protein, is an essential problem in drug discovery, and previous approaches have achieved initial success. However, most existing…

Machine Learning · Computer Science 2024-04-04 Xinze Li , Penglei Wang , Tianfan Fu , Wenhao Gao , Chengtao Li , Leilei Shi , Junhong Liu

This paper introduces Diffusion Policy, a new way of generating robot behavior by representing a robot's visuomotor policy as a conditional denoising diffusion process. We benchmark Diffusion Policy across 12 different tasks from 4…

Robotics · Computer Science 2024-03-15 Cheng Chi , Zhenjia Xu , Siyuan Feng , Eric Cousineau , Yilun Du , Benjamin Burchfiel , Russ Tedrake , Shuran Song

This paper presents the methods that have participated in the SHREC 2022 contest on protein-ligand binding site recognition. The prediction of protein-ligand binding regions is an active research domain in computational biophysics and…

Mobile robots on construction sites require accurate pose estimation to perform autonomous surveying and inspection missions. Localization in construction sites is a particularly challenging problem due to the presence of repetitive…

Robotics · Computer Science 2025-04-18 Benjamin Krummenacher , Jonas Frey , Turcan Tuna , Olga Vysotska , Marco Hutter

The integration of multimodal data presents a challenge in cases when the study of a given phenomena by different instruments or conditions generates distinct but related domains. Many existing data integration methods assume a known…

Machine Learning · Statistics 2022-06-16 Andres F. Duque , Guy Wolf , Kevin R. Moon

After observing that the features used in most online discriminatively trained trackers are not optimal, in this paper, we propose a novel and effective architecture to learn optimal feature embeddings for online discriminative tracking.…

Computer Vision and Pattern Recognition · Computer Science 2020-09-08 Linyu Zheng , Ming Tang , Yingying Chen , Jinqiao Wang , Hanqing Lu

Deep Packet Inspection (DPI) has been extensively employed for network security. It examines traffic payloads by searching for regular expressions (regex) with the Deterministic Finite Automaton (DFA) model. However, as the network…

Networking and Internet Architecture · Computer Science 2025-12-09 Yang Liu , Wenjun Zhu , Harry Chang , Yang Hong , Geoff Langdale , Kun Qiu , Jin Zhao

Diffusion models have become popular for policy learning in robotics due to their ability to capture high-dimensional and multimodal distributions. However, diffusion policies are stochastic and typically trained offline, limiting their…

Robotics · Computer Science 2025-05-28 Ralf Römer , Alexander von Rohr , Angela P. Schoellig

Generative diffusion models, famous for their performance in image generation, are popular in various cross-domain applications. However, their use in the communication community has been mostly limited to auxiliary tasks like data modeling…

Networking and Internet Architecture · Computer Science 2025-03-11 Ruihuai Liang , Bo Yang , Zhiwen Yu , Bin Guo , Xuelin Cao , Mérouane Debbah , H. Vincent Poor , Chau Yuen

A common failure mode for policies trained with imitation is compounding execution errors at test time. When the learned policy encounters states that are not present in the expert demonstrations, the policy fails, leading to degenerate…

Robotics · Computer Science 2024-06-06 Xiaoyu Zhang , Matthew Chang , Pranav Kumar , Saurabh Gupta

Inverse protein folding generates valid amino acid sequences that can fold into a desired protein structure, with recent deep-learning advances showing strong potential and competitive performance. However, challenges remain, such as…

Biomolecules · Quantitative Biology 2025-07-29 Peizhen Bai , Filip Miljković , Xianyuan Liu , Leonardo De Maria , Rebecca Croasdale-Wood , Owen Rackham , Haiping Lu

A multitude of imaging and vision tasks have seen recently a major transformation by deep learning methods and in particular by the application of convolutional neural networks. These methods achieve impressive results, even for…

Computer Vision and Pattern Recognition · Computer Science 2018-11-30 Simon Arridge , Andreas Hauptmann

Imitation Learning presents a promising approach for learning generalizable and complex robotic skills. The recently proposed Diffusion Policy generates robot action sequences through a conditional denoising diffusion process, achieving…

Machine Learning · Computer Science 2024-12-03 Xiu Yuan

The past few years have seen a surge of applying Deep Learning (DL) models for a wide array of tasks such as image classification, object detection, machine translation, etc. While DL models provide an opportunity to solve otherwise…

Machine Learning · Computer Science 2021-03-02 Cheng Li , Abdul Dakkak , Jinjun Xiong , Wen-mei Hwu

Recently, large-scale diffusion models, e.g., Stable diffusion and DallE2, have shown remarkable results on image synthesis. On the other hand, large-scale cross-modal pre-trained models (e.g., CLIP, ALIGN, and FILIP) are competent for…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Runhui Huang , Jianhua Han , Guansong Lu , Xiaodan Liang , Yihan Zeng , Wei Zhang , Hang Xu

In this paper, we introduce AdaSelection, an adaptive sub-sampling method to identify the most informative sub-samples within each minibatch to speed up the training of large-scale deep learning models without sacrificing model performance.…

Machine Learning · Computer Science 2023-06-21 Minghe Zhang , Chaosheng Dong , Jinmiao Fu , Tianchen Zhou , Jia Liang , Jia Liu , Bo Liu , Michinari Momma , Bryan Wang , Yan Gao , Yi Sun

Reinforcement learning (RL) struggles to scale to large, combinatorial action spaces common in many real-world problems. This paper introduces a novel framework for training discrete diffusion models as highly effective policies in these…

Machine Learning · Computer Science 2026-05-21 Haitong Ma , Ofir Nabati , Aviv Rosenberg , Bo Dai , Oran Lang , Craig Boutilier , Na Li , Shie Mannor , Lior Shani , Guy Tenneholtz

The trade-off between predictive accuracy and data availability makes it difficult to predict protein--protein binding affinity accurately. The lack of experimentally resolved protein structures limits the performance of structure-based…

Machine Learning · Computer Science 2026-01-08 Wajid Arshad Abbasi , Syed Ali Abbas , Maryum Bibi , Saiqa Andleeb , Muhammad Naveed Akhtar

Contact-rich assembly is fundamental in robotics but poses significant challenges due to uncertainties in relative poses, such as misalignments and small clearances in peg-in-hole tasks. Existing approaches typically address search and…

Deepfakes pose significant security and privacy threats through malicious facial manipulations. While robust watermarking can aid in authenticity verification and source tracking, existing methods often lack the sufficient robustness…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Chen Sun , Haiyang Sun , Zhiqing Guo , Yunfeng Diao , Liejun Wang , Dan Ma , Gaobo Yang , Keqin Li