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In this work, we propose a novel framework for large-scale Gaussian process (GP) modeling. Contrary to the global, and local approximations proposed in the literature to address the computational bottleneck with exact GP modeling, we employ…

Machine Learning · Statistics 2023-12-19 Akhil Vakayil , Roshan Joseph

GAMMA_FLOW is an open-source Python package for real-time analysis of spectral data. It supports classification, denoising, decomposition, and outlier detection of both single- and multi-component spectra. Instead of relying on large,…

Machine Learning · Computer Science 2025-11-13 Viola Rädle , Tilman Hartwig , Benjamin Oesen , Emily Alice Kröger , Julius Vogt , Eike Gericke , Martin Baron

Distributed training of GNNs enables learning on massive graphs (e.g., social and e-commerce networks) that exceed the storage and computational capacity of a single machine. To reach performance comparable to centralized training,…

Machine Learning · Computer Science 2023-05-18 Jiong Zhu , Aishwarya Reganti , Edward Huang , Charles Dickens , Nikhil Rao , Karthik Subbian , Danai Koutra

Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases.…

Machine Learning · Computer Science 2026-05-19 Stefano Carotti , Marco Pacini , Alessio Gravina , Davide Bacciu , Bruno Lepri , Sebastiano Bontorin

This paper extends the finite element network analysis (FENA) to include a dynamic time-transient formulation. FENA was initially formulated in the context of the linear static analysis of 1D and 2D elastic structures. By introducing the…

Computational Engineering, Finance, and Science · Computer Science 2024-07-04 Mehdi Jokar , Siddharth Nair , Fabio Semperlotti

One obstacle to the use of Gaussian processes (GPs) in large-scale problems, and as a component in deep learning system, is the need for bespoke derivations and implementations for small variations in the model or inference. In order to…

Machine Learning · Statistics 2020-03-04 Mark van der Wilk , Vincent Dutordoir , ST John , Artem Artemev , Vincent Adam , James Hensman

In this manuscript we review new ideas and first results on application of the Graphical Models approach, originated from Statistical Physics, Information Theory, Computer Science and Machine Learning, to optimization problems of network…

Systems and Control · Computer Science 2017-02-08 Michael Chertkov , Sidhant Misra , Marc Vuffray , Dvijotham Krishnamurty , Pascal Van Hentenryck

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Energy conversion in nanosized devices is studied in the framework of state-space models. We use a network representation of the underlying master equation to describe the dynamics by a graph. Particular segments of this network represent…

Statistical Mechanics · Physics 2021-12-28 M. Einax

Attention mechanisms underpin the computational power of Transformer models, which have achieved remarkable success across diverse domains. Yet understanding and extending the principles underlying self-attention remains a key challenge for…

Machine Learning · Computer Science 2025-11-14 Cheng Kevin Qu , Andrew Ly , Pulin Gong

We live in a world driven by data. The amount of it outgrows anyone's ability to oversee it or even observe its scope. Along with all the advances in the space of data management, there is still a significant lack of formalism and…

Databases · Computer Science 2020-02-03 Egor Pushkin

This article introduces the GNAR package, which fits, predicts, and simulates from a powerful new class of generalised network autoregressive processes. Such processes consist of a multivariate time series along with a real, or inferred,…

Methodology · Statistics 2019-12-11 Marina Knight , Kathryn Leeming , Guy Nason , Matthew Nunes

Graph domain adaptation (GDA) is a fundamental task in graph machine learning, with techniques like shift-robust graph neural networks (GNNs) and specialized training procedures to tackle the distribution shift problem. Although these…

Machine Learning · Computer Science 2025-10-27 Ting-Wei Li , Ruizhong Qiu , Hanghang Tong

Generalized planning using deep reinforcement learning (RL) combined with graph neural networks (GNNs) has shown promising results in various symbolic planning domains described by PDDL. However, existing approaches typically represent…

Artificial Intelligence · Computer Science 2025-11-11 Sangwoo Jeon , Juchul Shin , Gyeong-Tae Kim , YeonJe Cho , Seongwoo Kim

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its…

Machine Learning · Computer Science 2020-05-26 Zonghan Wu , Shirui Pan , Guodong Long , Jing Jiang , Xiaojun Chang , Chengqi Zhang

Graphs are widespread data structures used to model a wide variety of problems. The sheer amount of data to be processed has prompted the creation of a myriad of systems that help us cope with massive scale graphs. The pressure to deliver…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-10-09 Luis M. Vaquero , Felix Cuadrado , Matei Ripeanu

The last decades have seen a growth in the number of cyber-attacks with severe economic and privacy damages, which reveals the need for network intrusion detection approaches to assist in preventing cyber-attacks and reducing their risks.…

Cryptography and Security · Computer Science 2023-10-11 Hamdi Friji , Alexis Olivereau , Mireille Sarkiss

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

The ability to collect and analyze large amounts of data is a growing problem within the scientific community. The growing gap between data and users calls for innovative tools that address the challenges faced by big data volume, velocity…

Databases · Computer Science 2016-08-01 Vijay Gadepally , Jeremy Kepner

In this paper, we present a novel general framework grounded in the factor graph theory to solve kinematic and dynamic problems for multi-body systems. Although the motion of multi-body systems is considered to be a well-studied problem and…

Robotics · Computer Science 2021-07-27 José-Luis Blanco-Claraco , Antonio Leanza , Giulio Reina
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