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We investigate transformer-based language models, including RoBERTa, T5, Llama-3, and MatSciBERT, for predicting the band gaps of semiconductor materials directly from textual descriptions. The inputs encode key material features, such as…

Computation and Language · Computer Science 2025-10-24 Ying-Ting Yeh , Janghoon Ock , Achuth Chandrasekhar , Shagun Maheshwari , Amir Barati Farimani

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including…

Machine Learning · Computer Science 2025-10-07 Tianren Zhang , Dai-Bei Yang

This paper introduces a novel approach to enhance the capabilities of Large Language Models (LLMs) in processing and understanding extensive text sequences, a critical aspect in applications requiring deep comprehension and synthesis of…

Computation and Language · Computer Science 2023-12-15 Kaiqiang Song , Xiaoyang Wang , Sangwoo Cho , Xiaoman Pan , Dong Yu

Domain-specific knowledge can significantly contribute to addressing a wide variety of vision tasks. However, the generation of such knowledge entails considerable human labor and time costs. This study investigates the potential of Large…

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

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Large language models are increasingly applied to materials science, yet fundamental questions remain about their reliability and knowledge encoding. Evaluating 25 LLMs across four materials science tasks -- over 200 base and fine-tuned…

Materials Science · Physics 2026-03-03 Vineeth Venugopal , Soroush Mahjoubi , Elsa Olivetti

Retrained large language models (LLMs) have become extensively used across various sub-disciplines of natural language processing (NLP). In NLP, text classification problems have garnered considerable focus, but still faced with some…

Computation and Language · Computer Science 2023-12-05 Zhiqiang Wang , Yiran Pang , Yanbin Lin

Large Language Model (LLM) pretraining, finetuning, and evaluation rely on input-space reconstruction and generative capabilities. Yet, it has been observed in vision that embedding-space training objectives, e.g., with Joint Embedding…

Computation and Language · Computer Science 2025-10-08 Hai Huang , Yann LeCun , Randall Balestriero

In recent years, the application of multimodal large language models (MLLM) in various fields has achieved remarkable success. However, as the foundation model for many downstream tasks, current MLLMs are composed of the well-known…

Computer Vision and Pattern Recognition · Computer Science 2025-01-09 Han Zhao , Min Zhang , Wei Zhao , Pengxiang Ding , Siteng Huang , Donglin Wang

Accurate prediction of surgical duration is pivotal for hospital resource management. Although recent supervised learning approaches-from machine learning (ML) to fine-tuned large language models (LLMs)-have shown strong performance, they…

Machine Learning · Computer Science 2026-03-24 Wanyin Wu , Kanxue Li , Baosheng Yu , Haoyun Zhao , Yibing Zhan , Dapeng Tao , Hua Jin

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

Large language models (LLMs) offer a scalable mechanism to elicit domain-informed prior information for high-dimensional variable selection. However, existing methods such as LLM-Lasso are sensitive to weight quality, with performance…

Machine Learning · Statistics 2026-05-25 Caleb Skinner , Yihan Guo , Meng Li

We introduce Large Language Model-Assisted Preference Prediction (LAPP), a novel framework for robot learning that enables efficient, customizable, and expressive behavior acquisition with minimum human effort. Unlike prior approaches that…

Robotics · Computer Science 2025-04-23 Pingcheng Jian , Xiao Wei , Yanbaihui Liu , Samuel A. Moore , Michael M. Zavlanos , Boyuan Chen

Recent advancements in language modeling have shown promising results when applied to time series data. In particular, fine-tuning pre-trained large language models (LLMs) for time series classification tasks has achieved state-of-the-art…

Machine Learning · Computer Science 2025-06-03 Rachneet Kaur , Zhen Zeng , Tucker Balch , Manuela Veloso

Utilizing large language models (LLMs) for zero-shot document ranking is done in one of two ways: (1) prompt-based re-ranking methods, which require no further training but are only feasible for re-ranking a handful of candidate documents…

Information Retrieval · Computer Science 2024-10-22 Shengyao Zhuang , Xueguang Ma , Bevan Koopman , Jimmy Lin , Guido Zuccon

Prompt-based learning is susceptible to intrinsic bias present in pre-trained language models (LMs), leading to sub-optimal performance in prompt-based zero/few-shot settings. In this work, we propose a null-input prompting method to…

Computation and Language · Computer Science 2024-10-08 Kang He , Yinghan Long , Kaushik Roy

In NLP, Zero-Shot Classification (ZSC) has become essential for enabling models to classify text into categories unseen during training, particularly in low-resource languages and domains where labeled data is scarce. While pretrained…

Computation and Language · Computer Science 2025-03-31 Fred Philippy , Siwen Guo , Cedric Lothritz , Jacques Klein , Tegawendé F. Bissyandé

We introduce Probe Pruning (PP), a novel framework for online, dynamic, structured pruning of Large Language Models (LLMs) applied in a batch-wise manner. PP leverages the insight that not all samples and tokens contribute equally to the…

Computation and Language · Computer Science 2025-02-24 Qi Le , Enmao Diao , Ziyan Wang , Xinran Wang , Jie Ding , Li Yang , Ali Anwar

Large language models (LLMs) have revolutionized natural language processing by achieving state-of-the-art performance across various tasks. Recently, their effectiveness as embedding models has gained attention, marking a paradigm shift…

Computation and Language · Computer Science 2025-07-28 Chongyang Tao , Tao Shen , Shen Gao , Junshuo Zhang , Zhen Li , Kai Hua , Wenpeng Hu , Zhengwei Tao , Shuai Ma