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Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Transformer-based Large Language Models (LLMs) have been applied in diverse areas such as knowledge bases, human interfaces, and dynamic agents, and marking a stride towards achieving Artificial General Intelligence (AGI). However, current…

Computation and Language · Computer Science 2024-02-27 Yunpeng Huang , Jingwei Xu , Junyu Lai , Zixu Jiang , Taolue Chen , Zenan Li , Yuan Yao , Xiaoxing Ma , Lijuan Yang , Hao Chen , Shupeng Li , Penghao Zhao

Large language models (LLMs) are often praised for exhibiting near-human performance on a wide range of tasks and valued for their ability to hold a general conversation. The rise of agentic AI systems is, however, ushering in a mass of…

Artificial Intelligence · Computer Science 2025-09-17 Peter Belcak , Greg Heinrich , Shizhe Diao , Yonggan Fu , Xin Dong , Saurav Muralidharan , Yingyan Celine Lin , Pavlo Molchanov

Large Language Model (LLM)-based agents have shown effectiveness across many applications. However, their use in data science scenarios requiring solving long-term interconnected tasks, dynamic data adjustments and domain expertise remains…

Transformer architectures are the backbone of the modern AI revolution. However, they are based on simply stacking the same blocks in dozens of layers and processing information sequentially from one block to another. In this paper, we…

Computation and Language · Computer Science 2024-12-24 Prateek Verma , Mert Pilanci

Agentic workflows are composed of sequences of interdependent Large Language Model (LLM) calls, and they have become a dominant workload in modern AI systems. These workflows exhibit extensive redundancy from overlapping prompts and…

Multiagent Systems · Computer Science 2026-03-18 Noppanat Wadlom , Junyi Shen , Yao Lu

Task-orientated conversational agents interact with users and assist them via leveraging external APIs. A typical task-oriented conversational system can be broken down into three phases: external API selection, argument filling, and…

Computation and Language · Computer Science 2024-07-18 Jisoo Mok , Mohammad Kachuee , Shuyang Dai , Shayan Ray , Tara Taghavi , Sungroh Yoon

In an era defined by the explosive growth of data and rapid technological advancements, Multimodal Large Language Models (MLLMs) stand at the forefront of artificial intelligence (AI) systems. Designed to seamlessly integrate diverse data…

This perspective paper proposes a series of interactive scenarios that utilize Artificial Intelligence (AI) to enhance classroom teaching, such as dialogue auto-completion, knowledge and style transfer, and assessment of AI-generated…

Artificial Intelligence · Computer Science 2023-06-13 Kehui Tan , Tianqi Pang , Chenyou Fan , Song Yu

Large language models (LLMs) have revolutionized AI, but are constrained by limited context windows, hindering their utility in tasks like extended conversations and document analysis. To enable using context beyond limited context windows,…

Artificial Intelligence · Computer Science 2024-02-13 Charles Packer , Sarah Wooders , Kevin Lin , Vivian Fang , Shishir G. Patil , Ion Stoica , Joseph E. Gonzalez

Large Language Models (LLMs) are widely used by students, yet their tendency to provide fast and complete answers may discourage reflection and foster overconfidence. We examined how alternative LLM interaction designs support deeper…

Human-Computer Interaction · Computer Science 2026-04-13 Elena Eleftheriou , George Pallis , Marios Constantinides

Large Language Models (LLMs) and Multimodal LLMs (MLLMs) have demonstrated immense potential in autonomous driving (AD) by offering human-like reasoning and open-world generalization. However, the excessive computational overhead and high…

Robotics · Computer Science 2026-05-26 Ruoyu Yao , Ruiguo Zhong , Pei Liu , Mingxing Peng , Rui Yang , Jun Ma

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Large language models have become central to many AI applications, but their growing energy consumption raises serious sustainability concerns. A key limitation in current AI deployments is the reliance on a one-size-fits-all inference…

Large language models have emerged as a promising approach towards achieving general-purpose AI agents. The thriving open-source LLM community has greatly accelerated the development of agents that support human-machine dialogue interaction…

Computer Vision and Pattern Recognition · Computer Science 2023-11-07 Zhenfei Yin , Jiong Wang , Jianjian Cao , Zhelun Shi , Dingning Liu , Mukai Li , Lu Sheng , Lei Bai , Xiaoshui Huang , Zhiyong Wang , Jing Shao , Wanli Ouyang

Large Language Model (LLM) inference is hard. The autoregressive Decode phase of the underlying Transformer model makes LLM inference fundamentally different from training. Exacerbated by recent AI trends, the primary challenges are memory…

Hardware Architecture · Computer Science 2026-02-10 Xiaoyu Ma , David Patterson

The paradigm of Large Language Models (LLMs) is currently defined by auto-regressive (AR) architectures, which generate text through a sequential ``brick-by-brick'' process. Despite their success, AR models are inherently constrained by a…

Large language model (LLM)-based agents are increasingly employed to interact with external environments (e.g., games, APIs, world models) to solve user-provided tasks. However, current frameworks often lack the ability to collaborate…

Computation and Language · Computer Science 2025-04-22 Vardhan Dongre , Xiaocheng Yang , Emre Can Acikgoz , Suvodip Dey , Gokhan Tur , Dilek Hakkani-Tür

This paper presents a novel approach to represent enterprise web application structures using Large Language Models (LLMs) to enable intelligent quality engineering at scale. We introduce a hierarchical representation methodology that…

Artificial Intelligence · Computer Science 2025-01-14 Zaber Al Hassan Ayon , Gulam Husain , Roshankumar Bisoi , Waliur Rahman , Dr Tom Osborn

Large language models (LLMs) are increasingly deployed as AI agents that operate in short reasoning-action loops, interleaving model computation with external calls. Unlike traditional chat applications, these agentic workloads require…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-12 Yuning Zhang , Yan Yan , Nan Yang , Dong Yuan