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Large Language Models (LLMs) have garnered significant attention due to their remarkable ability to process information across various languages. Despite their capabilities, they exhibit inconsistencies in handling identical queries in…

Computation and Language · Computer Science 2024-06-24 Yue Huang , Chenrui Fan , Yuan Li , Siyuan Wu , Tianyi Zhou , Xiangliang Zhang , Lichao Sun

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

The last two years have seen a rapid growth in concerns around the safety of large language models (LLMs). Researchers and practitioners have met these concerns by creating an abundance of datasets for evaluating and improving LLM safety.…

Computation and Language · Computer Science 2025-01-13 Paul Röttger , Fabio Pernisi , Bertie Vidgen , Dirk Hovy

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

Data-driven research in Additive Manufacturing (AM) has gained significant success in recent years. This has led to a plethora of scientific literature to emerge. The knowledge in these works consists of AM and Artificial Intelligence (AI)…

Information Retrieval · Computer Science 2024-07-29 Mutahar Safdar , Jiarui Xie , Andrei Mircea , Yaoyao Fiona Zhao

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

Large Language Models (LLMs) are known for their expensive and time-consuming training. Thus, oftentimes, LLMs are fine-tuned to address a specific task, given the pretrained weights of a pre-trained LLM considered a foundation model. In…

Computation and Language · Computer Science 2025-12-05 Eshed Gal , Moshe Eliasof , Javier Turek , Uri Ascher , Eran Treister , Eldad Haber

General-purpose language models are trained to produce varied natural language outputs, but for some tasks, like annotation or classification, we need more specific output formats. LLM systems increasingly support structured output, which…

Computation and Language · Computer Science 2025-08-04 Sil Hamilton , David Mimno

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Large language models (LLMs) have substantially advanced machine learning research, including natural language processing, computer vision, data mining, etc., yet they still exhibit critical limitations in explainability, reliability,…

Machine Learning · Computer Science 2025-09-19 Xin Wang , Haoyang Li , Haibo Chen , Zeyang Zhang , Wenwu Zhu

This paper explores the potential of leveraging Large Language Models (LLMs) for data augmentation in multilingual commonsense reasoning datasets where the available training data is extremely limited. To achieve this, we utilise several…

Computation and Language · Computer Science 2023-10-24 Chenxi Whitehouse , Monojit Choudhury , Alham Fikri Aji

Large language models (LLMs) have significantly advanced various natural language processing (NLP) tasks. Recent research indicates that moderately-sized LLMs often outperform larger ones after task-specific fine-tuning. This study focuses…

Computation and Language · Computer Science 2024-10-14 Minghao Wu , Thuy-Trang Vu , Lizhen Qu , George Foster , Gholamreza Haffari

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

The general capabilities of Large Language Models (LLM) highly rely on the composition and selection on extensive pretraining datasets, treated as commercial secrets by several institutions. To mitigate this issue, we open-source the…

Combining Large Language Models (LLMs) with heuristic search algorithms like A* holds the promise of enhanced LLM reasoning and scalable inference. To accelerate training and reduce computational demands, we investigate the coreset…

Artificial Intelligence · Computer Science 2024-10-25 Devaansh Gupta , Boyang Li

Large language models (LLMs) process and predict sequences containing text to answer questions, and address tasks including document summarization, providing recommendations, writing software and solving quantitative problems. We provide a…

Numerical Analysis · Mathematics 2026-02-02 Ricardo Baptista , Andrew Stuart , Son Tran

Large Language Models (LLMs) are increasingly used to generate narrative content, including children's stories, which play an important role in social and cultural learning. Despite growing interest in AI safety and alignment, most existing…

Computation and Language · Computer Science 2026-04-21 Yuxuan Ouyang , yingfeng luo , JingBo Zhu , Tong Xiao

Natural Question Answering (QA) datasets play a crucial role in evaluating the capabilities of large language models (LLMs), ensuring their effectiveness in real-world applications. Despite the numerous QA datasets that have been developed…

Language models (LMs) exhibit remarkable abilities to solve new tasks from just a few examples or textual instructions, especially at scale. They also, paradoxically, struggle with basic functionality, such as arithmetic or factual lookup,…

Computation and Language · Computer Science 2023-02-10 Timo Schick , Jane Dwivedi-Yu , Roberto Dessì , Roberta Raileanu , Maria Lomeli , Luke Zettlemoyer , Nicola Cancedda , Thomas Scialom
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