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Recently, the fast development of Large Language Models (LLMs) such as ChatGPT has significantly advanced NLP tasks by enhancing the capabilities of conversational models. However, the application of LLMs in the recommendation domain has…

Information Retrieval · Computer Science 2023-08-24 Junling Liu , Chao Liu , Peilin Zhou , Qichen Ye , Dading Chong , Kang Zhou , Yueqi Xie , Yuwei Cao , Shoujin Wang , Chenyu You , Philip S. Yu

We present a benchmark test suite and an automated machine learning procedure for evaluating supervised machine learning (ML) models for predicting properties of inorganic bulk materials. The test suite, Matbench, is a set of 13 ML tasks…

Materials Science · Physics 2021-02-23 Alexander Dunn , Qi Wang , Alex Ganose , Daniel Dopp , Anubhav Jain

With the rising human-like precision of Large Language Models (LLMs) in numerous tasks, their utilization in a variety of real-world applications is becoming more prevalent. Several studies have shown that LLMs excel on many standard NLP…

Computation and Language · Computer Science 2024-04-03 Rishav Hada , Varun Gumma , Mohamed Ahmed , Kalika Bali , Sunayana Sitaram

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Existing benchmarks for evaluating mathematical reasoning in large language models (LLMs) rely primarily on competition problems, formal proofs, or artificially challenging questions -- failing to capture the nature of mathematics…

Artificial Intelligence · Computer Science 2025-10-21 Jie Zhang , Cezara Petrui , Kristina Nikolić , Florian Tramèr

Large language models (LLMs) have achieved remarkable performance on diverse benchmarks, yet existing evaluation practices largely rely on coarse summary metrics that obscure underlying reasoning abilities. In this work, we propose novel…

Methodology · Statistics 2026-03-17 Jia Liu , Zhiyu Xu , Yuqi Gu

Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…

Digital Libraries · Computer Science 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

Formal mathematical reasoning remains a critical challenge for artificial intelligence, hindered by limitations of existing benchmarks in scope and scale. To address this, we present FormalMATH, a large-scale Lean4 benchmark comprising…

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information.…

Machine Learning · Computer Science 2026-02-17 Xuan Liu , Siru Ouyang , Xianrui Zhong , Jiawei Han , Huimin Zhao

Increasing the number of parameters in large language models (LLMs) usually improves performance in downstream tasks but raises compute and memory costs, making deployment difficult in resource-limited settings. Quantization techniques,…

Computation and Language · Computer Science 2024-06-07 Renren Jin , Jiangcun Du , Wuwei Huang , Wei Liu , Jian Luan , Bin Wang , Deyi Xiong

Large Language Models (LLMs) have been employed in financial decision making, enhancing analytical capabilities for investment strategies. Traditional investment strategies often utilize quantitative models, fundamental analysis, and…

General Finance · Quantitative Finance 2025-07-04 Sedigheh Mahdavi , Jiating , Chen , Pradeep Kumar Joshi , Lina Huertas Guativa , Upmanyu Singh

Mathematical reasoning is essential for problem-solving in education, science, and industry, serving as a crucial benchmark for evaluating artificial intelligence systems. As Large Language Models (LLMs) improve their reasoning…

Computation and Language · Computer Science 2026-05-20 Husnain Amjad , Raja Khurram Shahzad , Aamir Shahzad , Mehwish Fatima

Large language models (LLMs) have demonstrated their remarkable performance across various language understanding tasks. While emerging benchmarks have been proposed to evaluate LLMs in various domains such as mathematics and computer…

Artificial Intelligence · Computer Science 2024-10-28 Junnan Dong , Zijin Hong , Yuanchen Bei , Feiran Huang , Xinrun Wang , Xiao Huang

In recent years, Large Language Models (LLMs) have demonstrated remarkable versatility across various applications, including natural language understanding, domain-specific knowledge tasks, etc. However, applying LLMs to complex,…

Computation and Language · Computer Science 2024-11-12 Xinqi Yang , Scott Zang , Yong Ren , Dingjie Peng , Zheng Wen

Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…

Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the…

Quantitative Methods · Quantitative Biology 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available…

Materials Science · Physics 2024-04-23 Wonseok Lee , Yeonghun Kang , Taeun Bae , Jihan Kim

Multimodal large language models (MLLMs) have broadened the scope of AI applications. Existing automatic evaluation methodologies for MLLMs are mainly limited in evaluating queries without considering user experiences, inadequately…

Small Language Models (SLMs) offer computational efficiency and accessibility, yet a systematic evaluation of their performance and environmental impact remains lacking. We introduce SLM-Bench, the first benchmark specifically designed to…

Computation and Language · Computer Science 2025-09-05 Nghiem Thanh Pham , Tung Kieu , Duc-Manh Nguyen , Son Ha Xuan , Nghia Duong-Trung , Danh Le-Phuoc
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