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Related papers: SMolLM: Small Language Models Learn Small Molecula…

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Large language models have become extremely popular recently due to their ability to achieve strong performance on a variety of tasks, such as text generation and rewriting, but their size and computation cost make them difficult to access,…

Computation and Language · Computer Science 2026-01-08 Anthony Lamelas

Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient representations that can be used to readily finetune on a wide variety of…

Machine Learning · Computer Science 2022-09-07 Walid Ahmad , Elana Simon , Seyone Chithrananda , Gabriel Grand , Bharath Ramsundar

Automated computational analysis of the vast chemical space is critical for numerous fields of research such as drug discovery and material science. Representation learning techniques have recently been employed with the primary objective…

Quantitative Methods · Quantitative Biology 2023-05-26 Atakan Yüksel , Erva Ulusoy , Atabey Ünlü , Tunca Doğan

Language interpretation is a compositional process, in which the meaning of more complex linguistic structures is inferred from the meaning of their parts. Large language models possess remarkable language interpretation capabilities and…

Artificial Intelligence · Computer Science 2025-10-31 David Maria Schmidt , Raoul Schubert , Philipp Cimiano

Recently, Large Language Models (LLMs) have demonstrated great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on one-to-one mappings,…

Computation and Language · Computer Science 2026-05-25 Jiatong Li , Junxian Li , Weida Wang , Yunqing Liu , Changmeng Zheng , Yatao Bian , Dongzhan Zhou , Xiao-yong Wei , Qing Li

Mathematical word problem-solving has long been recognized as a complex task for small language models (SLMs). A recent study hypothesized that the smallest model size, needed to achieve over 80% accuracy on the GSM8K benchmark, is 34…

Computation and Language · Computer Science 2024-02-26 Arindam Mitra , Hamed Khanpour , Corby Rosset , Ahmed Awadallah

In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge, primarily due to the varied drawing styles and conventions…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Yufan Chen , Ching Ting Leung , Yong Huang , Jianwei Sun , Hao Chen , Hanyu Gao

Large Language Models (LLMs) have exhibited exceptional performance across a spectrum of natural language processing tasks. However, their substantial sizes pose considerable challenges, particularly in computational demands and inference…

Computation and Language · Computer Science 2025-06-03 Guoxuan Chen , Han Shi , Jiawei Li , Yihang Gao , Xiaozhe Ren , Yimeng Chen , Xin Jiang , Zhenguo Li , Weiyang Liu , Chao Huang

Recent advancements in Large Language Models (LLMs) have sparked interest in their formal reasoning capabilities, particularly in mathematics. The GSM8K benchmark is widely used to assess the mathematical reasoning of models on…

Machine Learning · Computer Science 2025-08-28 Iman Mirzadeh , Keivan Alizadeh , Hooman Shahrokhi , Oncel Tuzel , Samy Bengio , Mehrdad Farajtabar

Large Language Models (LLMs) represent a significant stride toward Artificial General Intelligence. As scaling laws underscore the potential of increasing model sizes, the academic community has intensified its investigations into LLMs with…

In recent years, Large Language Models (LLMs) have made significant strides towards Artificial General Intelligence. However, training these models from scratch requires substantial computational resources and vast amounts of text data. In…

Computation and Language · Computer Science 2024-10-03 Wenzhen Zheng , Wenbo Pan , Xu Xu , Libo Qin , Li Yue , Ming Zhou

Large language models (LLMs) are a basic infrastructure for modern natural language processing. Many commercial and open-source LLMs exist for English, e.g., ChatGPT, Llama, Falcon, and Mistral. As these models are trained on mostly English…

Computation and Language · Computer Science 2024-10-10 Domen Vreš , Martin Božič , Aljaž Potočnik , Tomaž Martinčič , Marko Robnik-Šikonja

Large language models (LLMs) have achieved impressive success on many benchmarks for mathematical reasoning. However, there is growing concern that some of this performance actually reflects dataset contamination, where data closely…

Chemical language models (CLMs) have emerged as promising competitors to popular classical machine learning models for molecular property prediction (MPP) tasks. However, an increasing number of studies have reported inconsistent and…

Machine Learning · Computer Science 2026-03-17 Mohammad Mostafanejad , Paul Saxe , T. Daniel Crawford

Recent advancements in large language models (LLMs) with billions of parameters have improved performance in various applications, but their inference processes demand significant energy and computational resources. In contrast, the human…

Machine Learning · Computer Science 2025-04-11 Xingrun Xing , Boyan Gao , Zheng Zhang , David A. Clifton , Shitao Xiao , Li Du , Guoqi Li , Jiajun Zhang

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such…

Computation and Language · Computer Science 2023-01-31 Yao Fu , Hao Peng , Litu Ou , Ashish Sabharwal , Tushar Khot

Large language models (LLMs) have made remarkable advances in recent years, with scaling laws playing a critical role in this rapid progress. In this paper, we empirically investigate how a critical hyper-parameter, i.e., the global batch…

Computation and Language · Computer Science 2024-12-03 Xian Shuai , Yiding Wang , Yimeng Wu , Xin Jiang , Xiaozhe Ren

Large-scale pre-training methodologies for chemical language models represent a breakthrough in cheminformatics. These methods excel in tasks such as property prediction and molecule generation by learning contextualized representations of…

Machine Learning · Computer Science 2025-07-18 Eduardo Soares , Victor Shirasuna , Emilio Vital Brazil , Renato Cerqueira , Dmitry Zubarev , Kristin Schmidt

Large language models (LLMs) can explain grammatical rules, yet they often fail to apply those rules when judging sentence acceptability. We present "grammar prompting", an explain-then-process paradigm: a large LLM first produces a concise…

Computation and Language · Computer Science 2025-06-04 Russell Scheinberg , Ameeta Agrawal , Amber Shore , So Young Lee

Large language models (LLMs) have shown promising capabilities in visually interpreting medical time-series data. However, their general-purpose design can limit domain-specific precision, and the proprietary nature of many models poses…

Artificial Intelligence · Computer Science 2025-07-22 Huayu Li , Zhengxiao He , Xiwen Chen , Ci Zhang , Stuart F. Quan , William D. S. Killgore , Shu-Fen Wung , Chen X. Chen , Geng Yuan , Jin Lu , Ao Li
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