English
Related papers

Related papers: L+M-24: Building a Dataset for Language + Molecule…

200 papers

Existing text representations such as embeddings and bag-of-words are not suitable for rule learning due to their high dimensionality and absent or questionable feature-level interpretability. This article explores whether large language…

Machine Learning · Computer Science 2025-10-02 Vojtěch Balek , Lukáš Sýkora , Vilém Sklenák , Tomáš Kliegr

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a…

Computation and Language · Computer Science 2024-10-11 Peng Zhou , Jianmin Wang , Chunyan Li , Zixu Wang , Yiping Liu , Siqi Sun , Jianxin Lin , Leyi Wei , Xibao Cai , Houtim Lai , Wei Liu , Longyue Wang , Yuansheng Liu , Xiangxiang Zeng

In this paper, we demonstrate a surprising capability of large language models (LLMs): given only input feature names and a description of a prediction task, they are capable of selecting the most predictive features, with performance…

Machine Learning · Computer Science 2025-04-21 Daniel P. Jeong , Zachary C. Lipton , Pradeep Ravikumar

In recent years, there has been remarkable progress in leveraging Language Models (LMs), encompassing Pre-trained Language Models (PLMs) and Large-scale Language Models (LLMs), within the domain of mathematics. This paper conducts a…

Computation and Language · Computer Science 2025-01-03 Wentao Liu , Hanglei Hu , Jie Zhou , Yuyang Ding , Junsong Li , Jiayi Zeng , Mengliang He , Qin Chen , Bo Jiang , Aimin Zhou , Liang He

Large Language Models (LLMs) are rapidly reshaping machine translation (MT), particularly by introducing instruction-following, in-context learning, and preference-based alignment into what has traditionally been a supervised…

Computation and Language · Computer Science 2026-04-29 Baban Gain , Dibyanayan Bandyopadhyay , Asif Ekbal , Trilok Nath Singh

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case. We benchmark the Large Language Model Meta AI (LLaMA) 3 on…

Materials Science · Physics 2026-04-22 Ryan Jacobs , Maciej P. Polak , Lane E. Schultz , Hamed Mahdavi , Vasant Honavar , Dane Morgan

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular…

In recent years, large language models (LLMs) have demonstrated significant potential across various natural language processing (NLP) tasks. However, their performance in domain-specific applications and non-English languages remains less…

Computation and Language · Computer Science 2025-10-01 Dragos-Dumitru Ghinea , Adela-Nicoleta Corbeanu , Adrian-Marius Dumitran

Current approaches to data discovery match keywords between metadata and queries. This matching requires researchers to know the exact wording that other researchers previously used, creating a challenging process that could lead to missing…

Human-Computer Interaction · Computer Science 2025-10-03 Maura E Halstead , Mark A. Green , Caroline Jay , Richard Kingston , David Topping , Alexander Singleton

The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

Large Language Models(LLMs)have become effective tools for natural language processing and have been used in many different fields. This essay offers a succinct summary of various LLM subcategories. The survey emphasizes recent developments…

Computation and Language · Computer Science 2023-07-21 Saurabh Pahune , Manoj Chandrasekharan

Despite advances in machine learning (ML) and large language models (LLMs), rule-based natural language processing (NLP) systems remain active in clinical settings due to their interpretability and operational efficiency. However, their…

Computation and Language · Computer Science 2025-06-23 Jianlin Shi , Brian T. Bucher

The integration of Large Language Models (LLMs) into engineering workflows presents new opportunities for making computational tools more accessible. Especially where such tools remain underutilized due to technical or expertise barriers,…

Artificial Intelligence · Computer Science 2026-02-19 Yinon Goldshtein , Gal Perelman , Assaf Schuster , Avi Ostfeld

How to generate a large, realistic set of tables along with joinability relationships, to stress-test dataset discovery methods? Dataset discovery methods aim to automatically identify related data assets in a data lake. The development and…

Databases · Computer Science 2025-07-09 Zhenwei Dai , Chuan Lei , Asterios Katsifodimos , Xiao Qin , Christos Faloutsos , Huzefa Rangwala

Low-resource languages (LRLs) face significant challenges in natural language processing (NLP) due to limited data. While current state-of-the-art large language models (LLMs) still struggle with LRLs, smaller multilingual models (mLMs)…

Computation and Language · Computer Science 2025-02-17 Daniil Gurgurov , Ivan Vykopal , Josef van Genabith , Simon Ostermann

The coding capabilities of large language models (LLMs) have opened up new opportunities for automatic statistical analysis in machine learning and data science. However, before their widespread adoption, it is crucial to assess the…

Applications · Statistics 2025-02-26 Xinyi Song , Lina Lee , Kexin Xie , Xueying Liu , Xinwei Deng , Yili Hong

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

Conversational multi-doc question answering aims to answer specific questions based on the retrieved documents as well as the contextual conversations. In this paper, we introduce our winning approach for the "Conversational Multi-Doc QA"…

Computation and Language · Computer Science 2024-02-29 Yiming Li , Zhao Zhang

Large Language Models (LLMs) are reshaping unsupervised learning by offering an unprecedented ability to perform text clustering based on their deep semantic understanding. However, their direct application is fundamentally limited by a…

Computation and Language · Computer Science 2026-04-08 Yuanjie Zhu , Liangwei Yang , Ke Xu , Weizhi Zhang , Zihe Song , Jindong Wang , Philip S. Yu