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Accurate prediction of protein-ligand binding affinities is crucial in drug discovery, particularly during hit-to-lead and lead optimization phases, however, limitations in ligand force fields continue to impact prediction accuracy. In this…

Chemical Physics · Physics 2025-04-04 Francesc Sabanés Zariquiey , Stephen E. Farr , Stefan Doerr , Gianni De Fabritiis

Existing evaluations of entity linking systems often say little about how the system is going to perform for a particular application. There are two fundamental reasons for this. One is that many evaluations only use aggregate measures…

Computation and Language · Computer Science 2023-11-20 Hannah Bast , Matthias Hertel , Natalie Prange

GraphQL is a popular new approach to build Web APIs that enable clients to retrieve exactly the data they need. Given the growing number of tools and techniques for building GraphQL servers, there is an increasing need for comparing how…

Databases · Computer Science 2022-08-10 Sijin Cheng , Olaf Hartig

The behaviour of molecules in space is to a large extent governed by where they freeze out or sublimate. The molecular binding energy is thus an important parameter for many astrochemical studies. This parameter is usually determined with…

Astrophysics of Galaxies · Physics 2022-10-05 Torben Villadsen , Niels F. W. Ligterink , Mie Andersen

Benchmark datasets are critical for reproducible, reliable, and discriminative evaluation of LLMs. However, recent studies reveal that many benchmark datasets are included in pretraining corpora, i.e., $\textit{contaminated}$, which…

Machine Learning · Computer Science 2026-05-20 Ali Al-Lawati , Jason Lucas , Dongwon Lee , Suhang Wang

Neuromorphic computing shows promise for advancing computing efficiency and capabilities of AI applications using brain-inspired principles. However, the neuromorphic research field currently lacks standardized benchmarks, making it…

Artificial Intelligence · Computer Science 2025-01-16 Jason Yik , Korneel Van den Berghe , Douwe den Blanken , Younes Bouhadjar , Maxime Fabre , Paul Hueber , Weijie Ke , Mina A Khoei , Denis Kleyko , Noah Pacik-Nelson , Alessandro Pierro , Philipp Stratmann , Pao-Sheng Vincent Sun , Guangzhi Tang , Shenqi Wang , Biyan Zhou , Soikat Hasan Ahmed , George Vathakkattil Joseph , Benedetto Leto , Aurora Micheli , Anurag Kumar Mishra , Gregor Lenz , Tao Sun , Zergham Ahmed , Mahmoud Akl , Brian Anderson , Andreas G. Andreou , Chiara Bartolozzi , Arindam Basu , Petrut Bogdan , Sander Bohte , Sonia Buckley , Gert Cauwenberghs , Elisabetta Chicca , Federico Corradi , Guido de Croon , Andreea Danielescu , Anurag Daram , Mike Davies , Yigit Demirag , Jason Eshraghian , Tobias Fischer , Jeremy Forest , Vittorio Fra , Steve Furber , P. Michael Furlong , William Gilpin , Aditya Gilra , Hector A. Gonzalez , Giacomo Indiveri , Siddharth Joshi , Vedant Karia , Lyes Khacef , James C. Knight , Laura Kriener , Rajkumar Kubendran , Dhireesha Kudithipudi , Shih-Chii Liu , Yao-Hong Liu , Haoyuan Ma , Rajit Manohar , Josep Maria Margarit-Taulé , Christian Mayr , Konstantinos Michmizos , Dylan R. Muir , Emre Neftci , Thomas Nowotny , Fabrizio Ottati , Ayca Ozcelikkale , Priyadarshini Panda , Jongkil Park , Melika Payvand , Christian Pehle , Mihai A. Petrovici , Christoph Posch , Alpha Renner , Yulia Sandamirskaya , Clemens JS Schaefer , André van Schaik , Johannes Schemmel , Samuel Schmidgall , Catherine Schuman , Jae-sun Seo , Sadique Sheik , Sumit Bam Shrestha , Manolis Sifalakis , Amos Sironi , Kenneth Stewart , Matthew Stewart , Terrence C. Stewart , Jonathan Timcheck , Nergis Tömen , Gianvito Urgese , Marian Verhelst , Craig M. Vineyard , Bernhard Vogginger , Amirreza Yousefzadeh , Fatima Tuz Zohora , Charlotte Frenkel , Vijay Janapa Reddi

Edge computing is the next Internet frontier that will leverage computing resources located near users, sensors, and data stores to provide more responsive services. Therefore, it is envisioned that a large-scale, geographically dispersed,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-17 Blesson Varghese , Nan Wang , David Bermbach , Cheol-Ho Hong , Eyal de Lara , Weisong Shi , Christopher Stewart

Labeled data are critical to modern machine learning applications, but obtaining labels can be expensive. To mitigate this cost, machine learning methods, such as transfer learning, semi-supervised learning and active learning, aim to be…

Accurate prediction of binding free energies is critical to streamlining the drug development and protein design process. With the advent of GPU acceleration, absolute alchemical methods, which simulate the removal of ligand electrostatics…

Biological Physics · Physics 2021-03-17 Edward King , Ruxi Qi , Han Li , Ray Luo , Erick Aitchison

Function-guided protein design is a crucial task with significant applications in drug discovery and enzyme engineering. However, the field lacks a unified and comprehensive evaluation framework. Current models are assessed using…

Machine Learning · Computer Science 2025-09-30 Jiahao Kuang , Nuowei Liu , Jie Wang , Changzhi Sun , Tao Ji , Yuanbin Wu

Recent trends in planning research have led to empirical comparison becoming commonplace. The field has started to settle into a methodology for such comparisons, which for obvious practical reasons requires running a subset of planners on…

Artificial Intelligence · Computer Science 2011-06-10 E. Dahlman , A. E. Howe

A novel reinforcement learning benchmark, called Industrial Benchmark, is introduced. The Industrial Benchmark aims at being be realistic in the sense, that it includes a variety of aspects that we found to be vital in industrial…

Machine Learning · Computer Science 2017-09-29 Daniel Hein , Alexander Hentschel , Volkmar Sterzing , Michel Tokic , Steffen Udluft

The ability of Large Language Models (LLMs) to use external tools unlocks powerful real-world interactions, making rigorous evaluation essential. However, current benchmarks primarily report final accuracy, revealing what models can do but…

Computation and Language · Computer Science 2026-01-29 Qihao Wang , Yue Hu , Mingzhe Lu , Jiayue Wu , Yanbing Liu , Yuanmin Tang

We introduce ISO-Bench, a benchmark for coding agents to test their capabilities on real-world inference optimization tasks. These tasks were taken from vLLM and SGLang, two of the most popular LLM serving frameworks. Each task provides an…

Machine Learning · Computer Science 2026-02-24 Ayush Nangia , Shikhar Mishra , Aman Gokrani , Paras Chopra

Method comparisons are essential to provide recommendations and guidance for applied researchers, who often have to choose from a plethora of available approaches. While many comparisons exist in the literature, these are often not neutral…

Methodology · Statistics 2022-12-07 Sarah Friedrich , Tim Friede

Verification of real-time systems involving hard timing constraints and concurrency is of utmost importance. Parametric timed model checking allows for formal verification in the presence of unknown timing constants or uncertainty (e.g.…

Logic in Computer Science · Computer Science 2019-07-31 André Étienne

The measurable properties of the artifacts or objects in the computer, management, or finance disciplines are extrinsic, not inherent -- dependent on their problem definitions and solution instantiations. Only after the instantiation can…

Emerging Technologies · Computer Science 2022-05-17 Jianfeng Zhan

Benchmarks are pivotal in driving AI progress, and invalid benchmark questions frequently undermine their reliability. Manually identifying and correcting errors among thousands of benchmark questions is not only infeasible but also a…

Test functions are important to validate and compare the performance of optimization algorithms. There have been many test or benchmark functions reported in the literature; however, there is no standard list or set of benchmark functions.…

Artificial Intelligence · Computer Science 2013-08-20 Momin Jamil , Xin-She Yang

Benchmarking is seen as critical to assessing progress in NLP. However, creating a benchmark involves many design decisions (e.g., which datasets to include, which metrics to use) that often rely on tacit, untested assumptions about what…

Computation and Language · Computer Science 2024-06-14 Yu Lu Liu , Su Lin Blodgett , Jackie Chi Kit Cheung , Q. Vera Liao , Alexandra Olteanu , Ziang Xiao