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Multimodal LLMs (MLLMs) are capable of performing complex data analysis, visual question answering, generation, and reasoning tasks. However, their ability to analyze biometric data is relatively underexplored. In this work, we investigate…

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Context: The cosmic microwave background (CMB) spectrum probes physical processes and astrophysical phenomena occurring at various epochs of the Universe evolution. Current and future CMB absolute temperature experiments are aimed to the…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-13 Pietro Procopio , Carlo Burigana

Recent studies have demonstrated the potential of Large Language Models (LLMs) in generating GPU Kernels. Current benchmarks focus on the translation of high-level languages into CUDA, overlooking the more general and challenging task of…

Machine Learning · Computer Science 2026-03-04 Jiace Zhu , Wentao Chen , Qi Fan , Zhixing Ren , Junying Wu , Xing Zhe Chai , Chotiwit Rungrueangwutthinon , Yehan Ma , An Zou

Large Language Models (LLMs) have demonstrated remarkable performance on various quantitative reasoning and knowledge benchmarks. However, many of these benchmarks are losing utility as LLMs get increasingly high scores, despite not yet…

Tandem mass spectrometry (MS/MS) is a high-throughput technology used toidentify the proteins in a complex biological sample, such as a drop of blood. A collection of spectra is generated at the output of the process, each spectrum of which…

Quantitative Methods · Quantitative Biology 2019-09-06 John T. Halloran , David M. Rocke

Carbon nanotubes and graphene allow fabricating outstanding nanomechanical resonators. They hold promise for various scientific and technological applications, including sensing of mass, force, and charge, as well as the study of quantum…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 A. Eichler , J. Moser , J. Chaste , M. Zdrojek , I. Wilson-Rae , A. Bachtold

Benchmarking the capabilities and limitations of large language models (LLMs) in graph-related tasks is becoming an increasingly popular and crucial area of research. Recent studies have shown that LLMs exhibit a preliminary ability to…

Machine Learning · Computer Science 2025-04-22 Xinnan Dai , Haohao Qu , Yifen Shen , Bohang Zhang , Qihao Wen , Wenqi Fan , Dongsheng Li , Jiliang Tang , Caihua Shan

Several metrics have been proposed for assessing the similarity of (abstract) meaning representations (AMRs), but little is known about how they relate to human similarity ratings. Moreover, the current metrics have complementary strengths…

Computation and Language · Computer Science 2021-08-27 Juri Opitz , Angel Daza , Anette Frank

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Mathematical reasoning is a hallmark of human intelligence, and whether large language models (LLMs) can meaningfully perform it remains a central question in artificial intelligence and cognitive science. As LLMs are increasingly…

Computation and Language · Computer Science 2026-04-03 Linyang He , Qiyao Yu , Hanze Dong , Baohao Liao , Xinxing Xu , Micah Goldblum , Jiang Bian , Nima Mesgarani

Microphones exploit the motion of suspended membranes to detect sound waves. Since the microphone performance can be improved by reducing the thickness and mass of its sensing membrane, graphene-based microphones are expected to outperform…

Advances in Large Language Models (LLMs) have sparked interest in their ability to solve Olympiad-level math problems. However, the training and evaluation of these models are constrained by the limited size and quality of available…

Computation and Language · Computer Science 2025-06-30 Sadegh Mahdavi , Muchen Li , Kaiwen Liu , Christos Thrampoulidis , Leonid Sigal , Renjie Liao

With the growing availability of machine-learned interatomic potential (MLIP) models for materials simulations, there is an increasing demand for robust, automated, and chemically insightful benchmarking methodologies. In response, we here…

Materials Science · Physics 2025-11-21 Natascia L. Fragapane , Volker L. Deringer

We present \texttt{muRelBench}, a framework for synthetic benchmarks for weakly-relational abstract domains and their operations. This extensible microbenchmarking framework enables researchers to experimentally evaluate proposed algorithms…

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How effectively can LLM-based AI assistants utilize their memory (context) to perform various tasks? Traditional data benchmarks, which are often manually crafted, suffer from several limitations: they are static, susceptible to…

Computation and Language · Computer Science 2025-06-10 Menglin Xia , Victor Ruehle , Saravan Rajmohan , Reza Shokri

Synthetic verification techniques such as generating test cases and reward modelling are common ways to enhance the coding capabilities of large language models (LLM) beyond predefined tests. Additionally, code verification has recently…

Artificial Intelligence · Computer Science 2025-07-31 Aleksander Ficek , Somshubra Majumdar , Vahid Noroozi , Boris Ginsburg

Practical applications of graphene require a reliable high-throughput method of graphene identification and quality control, which can be used for large-scale substrates and wafers. We have proposed and experimentally tested a fast and…

Materials Science · Physics 2011-06-21 Craig M. Nolen , Giovanni Denina , Desalegne Teweldebrhan , Bir Bhanu , Alexander A. Balandin

Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from…