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The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated…

Computational Physics · Physics 2015-09-01 Alejandro Gil-Ley , Giovanni Bussi

Multiple domains like vision, natural language, and audio are witnessing tremendous progress by leveraging Transformers for large scale pre-training followed by task specific fine tuning. In contrast, in robotics we primarily train a single…

Machine Learning · Computer Science 2022-03-23 Agrim Gupta , Linxi Fan , Surya Ganguli , Li Fei-Fei

The rise of graph analytic systems has created a need for ways to measure and compare the capabilities of these systems. Graph analytics present unique scalability difficulties. The machine learning, high performance computing, and visual…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-07 Siddharth Samsi , Vijay Gadepally , Michael Hurley , Michael Jones , Edward Kao , Sanjeev Mohindra , Paul Monticciolo , Albert Reuther , Steven Smith , William Song , Diane Staheli , Jeremy Kepner

Metamorphic testing (MT) alleviates the oracle problem by checking metamorphic relations (MRs) across multiple test executions. The fault detection effectiveness of MT is influenced not only by the choice and quality of MRs, but also by how…

Software Engineering · Computer Science 2025-12-16 Zenghui Zhou , Pak-Lok Poon , Zheng Zheng , Xiao-Yi Zhang

A novel approach to evaluation of hardware and software testability, represented in the form of register transfer graph, is proposed. Instances of making of software graph models for their subsequent testing and diagnosis are shown.

Hardware Architecture · Computer Science 2016-11-17 Svetlana Chumachenko , Wajeb Gharibi , Anna Hahanova , Aleksey Sushanov

Relational tables, where each row corresponds to an entity and each column corresponds to an attribute, have been the standard for tables in relational databases. However, such a standard cannot be taken for granted when dealing with tables…

Databases · Computer Science 2023-08-10 Peng Li , Yeye He , Cong Yan , Yue Wang , Surajit Chaudhuri

A consistent goodness-of-fit test for distributional regression is introduced. The test statistic is based on a process that traces the difference between a nonparametric and a semi-parametric estimate of the marginal distribution function…

Methodology · Statistics 2025-10-10 Gitte Kremling , Gerhard Dikta

We present the implementation of an algorithm for graph isomorphism testing, based on ideas about number of walks (of sufficiently large length) between vertices. The algorithm is expanded for strongly regular graphs (SRG-s) by testing the…

Combinatorics · Mathematics 2007-05-23 Michal Kaukic

Technical systems have evolved over time into large and complex Interwoven Systems consisting of several to a huge number of (possibly heterogeneous) subsystems that have interdependencies. The resultant mutual influences among subsystems…

Multiagent Systems · Computer Science 2018-07-24 Neeraj Mumbuveetil Sasankan

The coupling complexity index is an information measure introduced within the framework of ordinal symbolic dynamics. This index is used to characterize the complexity of the relationship between dynamical system components. In this work,…

Chaotic Dynamics · Physics 2015-06-15 Roberto Monetti , José María Amigó , Thomas Aschenbrenner , Wolfram Bunk

Interacting systems are ubiquitous in nature and engineering, ranging from particle dynamics in physics to functionally connected brain regions. These interacting systems can be modeled by graphs where edges correspond to the interactions…

Machine Learning · Computer Science 2024-01-25 Zhichao Han , Olga Fink , David S. Kammer

Relational properties arise in many settings: relating two versions of a program that use different data representations, noninterference properties for security, etc. The main ingredient of relational verification, relating aligned pairs…

Logic in Computer Science · Computer Science 2016-11-29 Anindya Banerjee , David A. Naumann , Mohammad Nikouei

Dirty data and deceptive design practices can undermine, invert, or invalidate the purported messages of charts and graphs. These failures can arise silently: a conclusion derived from a particular visualization may look plausible unless…

Human-Computer Interaction · Computer Science 2021-04-07 Andrew McNutt , Gordon Kindlmann , Michael Correll

Repeaterless low swing interconnects use mixed signal circuits to achieve high performance at low power. When these interconnects are used in large scale and high volume digital systems their testability becomes very important. This paper…

Hardware Architecture · Computer Science 2015-11-23 Naveen Kadayinti , Dinesh K. Sharma

Measurable cones, with linear and measurable functions as morphisms, are a model of intuitionistic linear logic and of call-by-name probabilistic PCF which accommodates "continuous data types" such as the real line. So far however, they…

Logic in Computer Science · Computer Science 2025-01-15 Thomas Ehrhard , Guillaume Geoffroy

Meta-graph is currently the most powerful tool for similarity search on heterogeneous information networks,where a meta-graph is a composition of meta-paths that captures the complex structural information. However, current relevance…

Social and Information Networks · Computer Science 2018-09-13 Lichao Sun , Lifang He , Zhipeng Huang , Bokai Cao , Congying Xia , Xiaokai Wei , Philip S. Yu

Metaquerying is a datamining technology by which hidden dependencies among several database relations can be discovered. This tool has already been successfully applied to several real-world applications. Recent papers provide only…

Databases · Computer Science 2007-05-23 F. Angiulli , R. Ben-Eliyahu-Zohary , G. Ianni , L. Palopoli

Our starting point is the observation that if graphs in a class C have low descriptive complexity in first order logic, then the isomorphism problem for C is solvable by a fast parallel algorithm (essentially, by a simple combinatorial…

Computational Complexity · Computer Science 2007-05-23 Martin Grohe , Oleg Verbitsky

Graph matching refers to finding node correspondence between graphs, such that the corresponding node and edge's affinity can be maximized. In addition with its NP-completeness nature, another important challenge is effective modeling of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Runzhong Wang , Junchi Yan , Xiaokang Yang

Living systems exhibit complex yet organized behavior on multiple spatiotemporal scales. To investigate the nature of multiscale coordination in living systems, one needs a meaningful and systematic way to quantify the complex dynamics, a…

Adaptation and Self-Organizing Systems · Physics 2020-03-11 Mengsen Zhang , William D. Kalies , J. A. Scott Kelso , Emmanuelle Tognoli
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