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Replica exchange (REX) is one of the most widely used enhanced sampling methodologies, yet its efficiency is limited by the requirement for a large number of intermediate temperature replicas. Here we present Generative Replica Exchange…

Biomolecules · Quantitative Biology 2026-03-20 Shengjie Huang , Sijie Yang , Jianqiao Yi , Rui Zheng , Haocong Liao , Muzammal Hussain , Yaoquan Tu , Xiaoyun Lu , Yang Zhou

Flow Matching (FM) has shown remarkable ability in modeling complex distributions and achieves strong performance in offline imitation learning for cloning expert behaviors. However, despite its behavioral cloning expressiveness, FM-based…

Machine Learning · Computer Science 2025-10-14 Zhenglin Wan , Jingxuan Wu , Xingrui Yu , Chubin Zhang , Mingcong Lei , Bo An , Ivor Tsang

Edge-cloud collaborative computing (ECCC) has emerged as a pivotal paradigm for addressing the computational demands of modern intelligent applications, integrating cloud resources with edge devices to enable efficient, low-latency…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-19 Jing Liu , Yao Du , Kun Yang , Jiaqi Wu , Yan Wang , Xiping Hu , Zehua Wang , Yang Liu , Peng Sun , Azzedine Boukerche , Victor C. M. Leung

High Energy Physics (HEP) and other scientific communities have adopted Service Oriented Architectures (SOA) as part of a larger Grid computing effort. This effort involves the integration of many legacy applications and programming…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Michael Thomas , Conrad Steenberg , Frank van Lingen , Harvey Newman , Julian Bunn , Arshad Ali , Richard McClatchey , Ashiq Anjum , Tahir Azim , Waqas ur Rehman , Faisal Khan , Jang Uk In

To better understand the overlapping modular organization of large networks with respect to flow, here we introduce the map equation for overlapping modules. In this information-theoretic framework, we use the correspondence between…

Physics and Society · Physics 2012-02-03 Alcides Viamontes Esquivel , Martin Rosvall

This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure.…

Machine Learning · Computer Science 2025-05-23 Wenxuan Zhu , Qiyuan Wu , Tengda Tang , Renzi Meng , Sheng Chai , Xuehui Quan

To address the sparsity and cold start problem of collaborative filtering, researchers usually make use of side information, such as social networks or item attributes, to improve recommendation performance. This paper considers the…

Information Retrieval · Computer Science 2018-08-28 Hongwei Wang , Fuzheng Zhang , Jialin Wang , Miao Zhao , Wenjie Li , Xing Xie , Minyi Guo

The trend of massive connectivity pushes forward the explosive growth of end devices. The emergence of various applications has prompted a demand for pervasive connectivity and more efficient computing paradigms. On the other hand, the lack…

Signal Processing · Electrical Eng. & Systems 2024-11-12 Zelin Ji , Zhijin Qin

The rapid advancement and increasing complexity of pretrained models, exemplified by CLIP, offer significant opportunities as well as challenges for Federated Learning (FL), a critical component of privacy-preserving artificial…

Machine Learning · Computer Science 2024-10-10 Ahmed Imteaj , Md Zarif Hossain , Saika Zaman , Abdur R. Shahid

ProofPeer strives to be a system for cloud-based interactive theorem proving. After illustrating why such a system is needed, the paper presents some of the design challenges that ProofPeer needs to meet to succeed. Contexts are presented…

Mathematical Software · Computer Science 2012-01-04 Steven Obua

As data streams become more prevalent, the necessity for online algorithms that mine this transient and dynamic data becomes clearer. Multi-label data stream classification is a supervised learning problem where each instance in the data…

Machine Learning · Computer Science 2018-09-27 Alican Büyükçakır , Hamed Bonab , Fazli Can

Comprehending complex systems by simplifying and highlighting important dynamical patterns requires modeling and mapping higher-order network flows. However, complex systems come in many forms and demand a range of representations,…

Social and Information Networks · Computer Science 2017-10-18 Daniel Edler , Ludvig Bohlin , Martin Rosvall

AI data centers are increasingly becoming tightly coupled compute--energy systems, where workload placement, cooling demand, electricity procurement, storage operation, and carbon emissions interact over time. This paper studies…

Computational Engineering, Finance, and Science · Computer Science 2026-05-14 Johnny R. Zhang , Gaoyuan Du , Qianyi Sun , Shiqi Wang , Jiaxuan Li , Xian Sun

This paper introduces a \textit{Process-Guided Learning (Pril)} framework that integrates physical models with recurrent neural networks (RNNs) to enhance the prediction of dissolved oxygen (DO) concentrations in lakes, which is crucial for…

Machine Learning · Computer Science 2024-11-21 Runlong Yu , Chonghao Qiu , Robert Ladwig , Paul C. Hanson , Yiqun Xie , Yanhua Li , Xiaowei Jia

We present a novel approach to accelerate astrophysical hydrodynamical simulations. In astrophysical many-body simulations, GRAPE (GRAvity piPE) system has been widely used by many researchers. However, in the GRAPE systems, its function is…

Astrophysics · Physics 2009-11-11 N. Nakasato , T. Hamada , T. Fukushige

In this paper we consider the problem of optimizing the ecological connectivity of a landscape under a budget constraint by improving habitat areas and ecological corridors between them. We consider a formulation of this problem in terms of…

Data Structures and Algorithms · Computer Science 2022-04-14 François Hamonic , Cécile Albert , Basile Couëtoux , Yann Vaxès

The proliferation of Large Language Models (LLMs) with exponentially growing parameters is making cross-data center (DC) training an inevitable trend. However, viable strategies for extending single-DC training frameworks to multi-DC…

Networking and Internet Architecture · Computer Science 2026-02-27 Jun Dai , Xiaorun Wang , Kexiong Fang , Zheng Yang , Yuefeng Ji , Jiawei Zhang

Generative Flow Networks (GFlowNets) are a flexible family of amortized samplers trained to generate discrete and compositional objects with probability proportional to a reward function. However, learning efficiency is constrained by the…

Machine Learning · Computer Science 2026-02-23 Pedro Dall'Antonia , Tiago da Silva , Daniel Csillag , Salem Lahlou , Diego Mesquita

In today's era of Internet of Things (IoT), where massive amounts of data are produced by IoT and other devices, edge computing has emerged as a prominent paradigm for low-latency data processing. However, applications may have diverse…

Networking and Internet Architecture · Computer Science 2021-07-19 Md Washik Al Azad , Susmit Shannigrahi , Nicholas Stergiou , Francisco R. Ortega , Spyridon Mastorakis

Training and deploying deep learning models in real-world applications require processing large amounts of data. This is a challenging task when the amount of data grows to a hundred terabytes, or even, petabyte-scale. We introduce a hybrid…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-17 Davit Buniatyan