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Large Language Models (LLMs) have demonstrated superior abilities in tasks such as chatting, reasoning, and question-answering. However, standard LLMs may ignore crucial paralinguistic information, such as sentiment, emotion, and speaking…

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Materials Science · Physics 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen

Large Language Models (LLMs) now exhibit remarkable reasoning capabilities through test-time compute scaling (TTS), with impressive performance across math and coding benchmarks. In parallel, research in model compression has developed…

Artificial Intelligence · Computer Science 2026-05-29 Ocean Monjur , Shahriar Kabir Nahin , Anshuman Chhabra

The performance of modern software systems is critically dependent on their complex configuration options. Building accurate performance models to navigate this vast space requires effective sampling strategies, yet existing methods often…

Software Engineering · Computer Science 2026-01-09 Xin Wang , Zhenhao Li , Zishuo Ding

The application of machine learning (ML) in a range of geospatial tasks is increasingly common but often relies on globally available covariates such as satellite imagery that can either be expensive or lack predictive power. Here we…

Computation and Language · Computer Science 2024-02-27 Rohin Manvi , Samar Khanna , Gengchen Mai , Marshall Burke , David Lobell , Stefano Ermon

Large language models(LLMs) containing tens of billions of parameters (or even more) have demonstrated impressive capabilities in various NLP tasks. However, substantial model size poses challenges to training, inference, and deployment so…

Artificial Intelligence · Computer Science 2023-10-11 Yupeng Ji , Yibo Cao , Jiucai Liu

The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…

Systems and Control · Electrical Eng. & Systems 2024-11-21 Mengshuo Jia , Zeyu Cui , Gabriela Hug

Machine learning (ML) methods are becoming popular tools for the prediction and design of novel materials. In particular, neural network (NN) is a promising ML method, which can be used to identify hidden trends in the data. However, these…

Purpose: Large Language Models (LLMs) like GPT (Generative Pre-trained Transformer) from OpenAI and LLaMA (Large Language Model Meta AI) from Meta AI are increasingly recognized for their potential in the field of cheminformatics,…

Biomolecules · Quantitative Biology 2024-05-22 Shaghayegh Sadeghi , Alan Bui , Ali Forooghi , Jianguo Lu , Alioune Ngom

Large Language Models (LLMs) have delivered impressive results in language understanding, generation, reasoning, and pushes the ability boundary of multimodal models. Transformer models, as the foundation of modern LLMs, offer a strong…

Computation and Language · Computer Science 2025-08-14 Weigao Sun , Jiaxi Hu , Yucheng Zhou , Jusen Du , Disen Lan , Kexin Wang , Tong Zhu , Xiaoye Qu , Yu Zhang , Xiaoyu Mo , Daizong Liu , Yuxuan Liang , Wenliang Chen , Guoqi Li , Yu Cheng

Can large language models predict physical and mechanical polymer properties simply by reading unstructured scientific prose? Polymer performance is rarely determined by chemical structure alone; identical nominal polymers can exhibit…

Machine Learning · Computer Science 2026-05-12 Yuchu Liu , Rui Zhu , Jingwei Xiong , Haixu Tang

In recent years, pre-trained large language models (LLMs) have demonstrated remarkable efficiency in achieving an inference-time few-shot learning capability known as in-context learning. However, existing literature has highlighted the…

Computation and Language · Computer Science 2024-02-14 Xinyi Wang , Wanrong Zhu , Michael Saxon , Mark Steyvers , William Yang Wang

Widespread adoption of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs) and HT-PEM electrochemical hydrogen pumps (HT-PEM ECHPs) requires models and computational tools that provide accurate scale-up and optimization.…

Machine Learning · Computer Science 2022-03-01 Luis A. Briceno-Mena , Christopher G. Arges , Jose A. Romagnoli

Recent work has shown that scaling large language models (LLMs) improves their alignment with human brain activity, yet it remains unclear what drives these gains and which representational properties are responsible. Although larger models…

Large language models (LLMs) have been widely adopted due to their remarkable performance across various applications, driving the accelerated development of a large number of diverse models. However, these individual LLMs show limitations…

Computation and Language · Computer Science 2025-06-13 Kaushal Kumar Maurya , KV Aditya Srivatsa , Ekaterina Kochmar

Accurate prediction of treatment outcomes in lung cancer remains challenging due to the sparsity, heterogeneity, and contextual overload of real-world electronic health data. Traditional models often fail to capture semantic information…

Public leaderboards increasingly suggest that large language models (LLMs) surpass human experts on benchmarks spanning academic knowledge, law, and programming. Yet most benchmarks are fully public, their questions widely mirrored across…

Artificial Intelligence · Computer Science 2026-03-18 Eshwar Reddy M , Sourav Karmakar

Reasoning LLMs (RLMs) such as OpenAI o1, DeepSeek-R1, and Qwen3 deliver strong multi-step reasoning through chain-of-thought generation, but their large model sizes and lengthy decode-time outputs make them costly to deploy and unsuitable…

Computation and Language · Computer Science 2025-12-03 Ziyan Wang , Enmao Diao , Qi Le , Pu Wang , Guanchu Wang , Minwoo Lee , Shu-ping Yeh , Li Yang

Large Language Models (LLMs) are being extensively used for cybersecurity purposes. One of them is the detection of vulnerable codes. For the sake of efficiency and effectiveness, compression and fine-tuning techniques are being developed,…

Cryptography and Security · Computer Science 2025-06-02 Luis Ibanez-Lissen , Lorena Gonzalez-Manzano , Jose Maria de Fuentes , Nicolas Anciaux

This work investigates distillation methods for large language models (LLMs) with the goal of developing compact models that preserve high performance. Several existing approaches are reviewed, with a discussion of their respective…

Computation and Language · Computer Science 2025-11-10 Grigory Kovalev , Mikhail Tikhomirov