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The development of materials science is undergoing a shift from empirical approaches to data-driven and algorithm-oriented research paradigm. The state-of-the-art platforms are confined to inorganic crystals, with limited chemical space,…

Materials Science · Physics 2025-07-08 Jifeng Wang , Jiazhe Ju , Ying Wang

OutlierDetection.jl is an open-source ecosystem for outlier detection in Julia. It provides a range of high-performance outlier detection algorithms implemented directly in Julia. In contrast to previous packages, our ecosystem enables the…

Machine Learning · Computer Science 2022-11-10 David Muhr , Michael Affenzeller , Anthony D. Blaom

Co-developing scientific algorithms and hardware accelerators requires domain-specific knowledge and large engineering resources. This leads to a slow development pace and high project complexity, which creates a barrier to entry that is…

Software Engineering · Computer Science 2025-03-13 Benedict Short , Ian McInerney , John Wickerson

Adaptive Computing is an application-agnostic outer loop framework to strategically deploy simulations and experiments to guide decision making for scale-up analysis. Resources are allocated over successive batches, which makes the…

With growing exchanges of people and merchandise between countries, epidemics have become an issue of increasing importance and huge amounts of data are being collected every day. Hence, analyses that were usually run in personal computers…

Populations and Evolution · Quantitative Biology 2021-01-19 Bruno Lourenço

Large Language Models (LLMs) as chatbots have drawn remarkable attention thanks to their versatile capability in natural language processing as well as in a wide range of tasks. While there has been great enthusiasm towards adopting such…

Systems and Control · Electrical Eng. & Systems 2024-06-24 Subir Majumder , Lin Dong , Fatemeh Doudi , Yuting Cai , Chao Tian , Dileep Kalathi , Kevin Ding , Anupam A. Thatte , Na Li , Le Xie

Visually rich documents (e.g. leaflets, banners, magazine articles) are physical or digital documents that utilize visual cues to augment their semantics. Information contained in these documents are ad-hoc and often incomplete. Existing…

Machine Learning · Computer Science 2024-04-02 Ritesh Sarkhel , Arnab Nandi

Inserting renewable energy in the electric grid in a decentralized manneris a key challenge of the energy transition. However, at local scale, both production and demand display erratic behavior, which makes it delicate to match them. It is…

Optimization and Control · Mathematics 2021-10-15 Adrien Le Franc , Pierre Carpentier , Jean-Philippe Chancelier , Michel de Lara

In this paper we present GridapTopOpt, an extendable framework for level set-based topology optimisation that can be readily distributed across a personal computer or high-performance computing cluster. The package is written in Julia and…

Mathematical Software · Computer Science 2026-01-26 Zachary J. Wegert , Jordi Manyer , Connor Mallon , Santiago Badia , Vivien J. Challis

The growth of distributed renewable energy in the electrical grid presents challenges to its stability and quality. To address this at the local level, flexibility energy strategies emerge as an innovative technique. However, managing these…

Systems and Control · Electrical Eng. & Systems 2024-02-07 Miguel Gayo , Francisco Javier Rodríguez , Carlos Santos , Ying Wu , Yanpeng Wu , Juan C. Vasquez , Josep M. Guerrero

Agent based modelling is a computational approach that aims to understand the behaviour of complex systems through simplified interactions of programmable objects in computer memory called agents. Agent based models (ABMs) are predominantly…

Multiagent Systems · Computer Science 2022-07-06 Renu Solanki , Monisha Khanna , Shailly Anand , Anita Gulati , Prateek Kumar , Munendra Kumar , Dushyant Kumar

Research in high energy physics (HEP) requires huge amounts of computing and storage, putting strong constraints on the code speed and resource usage. To meet these requirements, a compiled high-performance language is typically used; while…

This paper considers how to fuse Machine Learning (ML) and optimization to solve large-scale Supply Chain Planning (SCP) optimization problems. These problems can be formulated as MIP models which feature both integer (non-binary) and…

Machine Learning · Computer Science 2025-04-11 Vahid Eghbal Akhlaghi , Reza Zandehshahvar , Pascal Van Hentenryck

The retirement of unabated coal power plants, the plummeting cost of renewable energy technologies, along with more aggressive public policies and regulatory reforms, are occurring at an unprecedented speed to decarbonize the power and…

Systems and Control · Electrical Eng. & Systems 2022-10-19 Jian Shi , Dan Wang , Chenye Wu , Zhu Han

The rapid deployment of machine learning across platforms from milliwatt-class TinyML devices to large language models has made energy efficiency a primary constraint for sustainable AI. Across these scales, performance and energy are…

Hardware Architecture · Computer Science 2026-03-26 Mohammad Saleh Vahdatpour , Yanqing Zhang

The development of energy systems is not a technocratic process but equally shaped by societal and cultural forces. Key instruments in this process are model-based scenarios describing a future energy system. Applying the concept of…

Theoretical Economics · Economics 2023-06-16 Leonard Göke , Jens Weibezahn , Christian von Hirschhausen

How should one judge whether a given large language model (LLM) can reliably perform economic reasoning? Most existing LLM benchmarks focus on specific applications and fail to present the model with a rich variety of economic tasks. A…

Computation and Language · Computer Science 2025-02-20 Narun Raman , Taylor Lundy , Thiago Amin , Jesse Perla , Kevin Leyton-Brown

As a typical and practical application of Large Language Models (LLMs), Retrieval-Augmented Generation (RAG) techniques have gained extensive attention, particularly in vertical domains where LLMs may lack domain-specific knowledge. In this…

Computation and Language · Computer Science 2025-02-18 Shuting Wang , Jiejun Tan , Zhicheng Dou , Ji-Rong Wen

We present a general graph-based modeling abstraction for optimization that we call an OptiGraph. Under this abstraction, any optimization problem is treated as a hierarchical hypergraph in which nodes represent optimization subproblems and…

Optimization and Control · Mathematics 2026-05-11 Jordan Jalving , Sungho Shin , Victor M. Zavala

Background: The increasing environmental impact of Information Technologies, particularly in Machine Learning (ML), highlights the need for sustainable practices in software engineering. The escalating complexity and energy consumption of…

Software Engineering · Computer Science 2024-01-31 Pau Duran , Joel Castaño , Cristina Gómez , Silverio Martínez-Fernández