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Related papers: SyNDock: N Rigid Protein Docking via Learnable Gro…

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All systolic or distributed neuromorphic architectures require power-efficient processing nodes. In this paper, a unifying tutorial is presented which implements multiple neuromorphic processing elements using a systematic analog approach…

Neural and Evolutionary Computing · Computer Science 2021-08-21 Hamid Soleimani , Emmanuel. M. Drakakis

This paper proposes a neural stochastic optimization method for efficiently solving the two-stage stochastic unit commitment (2S-SUC) problem under high-dimensional uncertainty scenarios. The proposed method approximates the second-stage…

Systems and Control · Electrical Eng. & Systems 2026-04-16 Zhentong Shao , Jingtao Qin , Nanpeng Yu

Dynamic Network Embedding (DNE) has recently attracted considerable attention due to the advantage of network embedding in various fields and the dynamic nature of many real-world networks. An input dynamic network to DNE is often assumed…

Social and Information Networks · Computer Science 2021-12-01 Chengbin Hou , Guoji Fu , Peng Yang , Zheng Hu , Shan He , Ke Tang

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

Docking is an important tool in computational drug discovery that aims to predict the binding pose of a ligand to a target protein through a combination of pose scoring and optimization. A scoring function that is differentiable with…

Machine Learning · Statistics 2017-10-23 Matthew Ragoza , Lillian Turner , David Ryan Koes

This work presents a method for adapting a single, fixed deep neural network to multiple tasks without affecting performance on already learned tasks. By building upon ideas from network quantization and pruning, we learn binary masks that…

Computer Vision and Pattern Recognition · Computer Science 2018-03-20 Arun Mallya , Dillon Davis , Svetlana Lazebnik

Multi-modality pre-training paradigm that aligns protein sequences and biological descriptions has learned general protein representations and achieved promising performance in various downstream applications. However, these works were…

Machine Learning · Computer Science 2024-12-31 Hanjing Zhou , Mingze Yin , Wei Wu , Mingyang Li , Kun Fu , Jintai Chen , Jian Wu , Zheng Wang

Enabling robots to solve multiple manipulation tasks has a wide range of industrial applications. While learning-based approaches enjoy flexibility and generalizability, scaling these approaches to solve such compositional tasks remains a…

Machine Learning · Computer Science 2021-09-17 Michael H. Lim , Andy Zeng , Brian Ichter , Maryam Bandari , Erwin Coumans , Claire Tomlin , Stefan Schaal , Aleksandra Faust

Probabilistic embeddings have several advantages over deterministic embeddings as they map each data point to a distribution, which better describes the uncertainty and complexity of data. Many works focus on adjusting the distribution…

Artificial Intelligence · Computer Science 2024-12-16 Xiang Huang , Hao Peng , Li Sun , Hui Lin , Chunyang Liu , Jiang Cao , Philip S. Yu

Clustering functional data in the presence of phase variation is challenging, as temporal misalignment can obscure intrinsic shape differences and degrade clustering performance. Most existing approaches treat registration and clustering as…

Machine Learning · Statistics 2026-04-30 Xinyang Xiong , Siyuan jiang , Pengcheng Zeng

Protein structural classification (PSC) is a supervised problem of assigning proteins into pre-defined structural (e.g., CATH or SCOPe) classes based on the proteins' sequence or 3D structural features. We recently proposed PSC approaches…

Molecular Networks · Quantitative Biology 2021-05-18 Khalique Newaz , Jacob Piland , Patricia L. Clark , Scott J. Emrich , Jun Li , Tijana Milenkovic

Recent trends in the field of neural network accelerators investigate weight quantization as a means to increase the resource- and power-efficiency of hardware devices. As full on-chip weight storage is necessary to avoid the high energy…

Neural and Evolutionary Computing · Computer Science 2019-07-17 Charlotte Frenkel , Jean-Didier Legat , David Bol

The accurate tracking of live cells using video microscopy recordings remains a challenging task for popular state-of-the-art image processing based object tracking methods. In recent years, several existing and new applications have…

Image and Video Processing · Electrical Eng. & Systems 2025-02-03 Gergely Szabó , Paolo Bonaiuti , Andrea Ciliberto , András Horváth

Estimating the pose of animals can facilitate the understanding of animal motion which is fundamental in disciplines such as biomechanics, neuroscience, ethology, robotics and the entertainment industry. Human pose estimation models have…

Computer Vision and Pattern Recognition · Computer Science 2021-08-03 Moira Shooter , Charles Malleson , Adrian Hilton

Background. All-atom crystallographic refinement of proteins is a laborious manually driven procedure, as a result of which, alternative and multiconformer interpretations are not routinely investigated. Results. We describe efficient loop…

Biomolecules · Quantitative Biology 2007-10-23 Swanand Gore , Tom Blundell

In this work, we study whether enforcing strict compositional structure in sequence embeddings yields meaningful geometric organization when applied to protein-protein interaction networks. Using Event2Vec, an additive sequence embedding…

Machine Learning · Computer Science 2026-04-02 Antonin Sulc

Information on protein-protein interactions (PPIs) not only advances our understanding of molecular biology but also provides important clues for target selection in drug discovery and the design of PPI inhibitors. One of the techniques…

Biomolecules · Quantitative Biology 2021-05-11 Masahito Ohue , Yutaka Akiyama

We solve large-scale mixed-integer linear programs (MILPs) via distributed asynchronous saddle point computation. This is motivated by the MILPs being able to model problems in multi-agent autonomy, e.g., task assignment problems and…

Optimization and Control · Mathematics 2022-11-23 Luke Fina , Matthew Hale

This paper presents a new, parallel implementation of clustering and demonstrates its utility in greatly speeding up the process of identifying homologous proteins. Clustering is a technique to reduce the number of comparison needed to find…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-29 Stuart Byma , Akash Dhasade , Adrian Altenhoff , Christophe Dessimoz , James R. Larus

Vision-language models (VLMs) trained via reinforcement learning with verifiable reward (RLVR) have shown notable progress in scaling test-time compute effectively. In this work, we investigate how synthesized RL data can further improve…

Machine Learning · Computer Science 2025-06-04 Zijian Wu , Jinjie Ni , Xiangyan Liu , Zichen Liu , Hang Yan , Michael Qizhe Shieh