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Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

As large language models (LLMs) grow more capable, they face increasingly diverse and complex tasks, making reliable evaluation challenging. The paradigm of LLMs as judges has emerged as a scalable solution, yet prior work primarily focuses…

Computation and Language · Computer Science 2025-11-03 Weiyuan Li , Xintao Wang , Siyu Yuan , Rui Xu , Jiangjie Chen , Qingqing Dong , Yanghua Xiao , Deqing Yang

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

The adoption of Large Language Models (LLMs) as automated evaluators (LLM-as-a-judge) has revealed critical inconsistencies in current evaluation frameworks. We identify two fundamental types of inconsistencies: (1) Score-Comparison…

Artificial Intelligence · Computer Science 2025-09-29 Yidong Wang , Yunze Song , Tingyuan Zhu , Xuanwang Zhang , Zhuohao Yu , Hao Chen , Chiyu Song , Qiufeng Wang , Cunxiang Wang , Zhen Wu , Xinyu Dai , Yue Zhang , Wei Ye , Shikun Zhang

Evaluating large language models (LLMs) on open-ended tasks without ground-truth labels is increasingly done via the LLM-as-a-judge paradigm. A critical but under-modeled issue is that judge LLMs differ substantially in reliability;…

Machine Learning · Statistics 2026-01-30 Mingyuan Xu , Xinzi Tan , Jiawei Wu , Doudou Zhou

The advent of large language models (LLMs) has sparked significant interest in using natural language for preference learning. However, existing methods often suffer from high computational burdens, taxing human supervision, and lack of…

Machine Learning · Computer Science 2024-12-23 Saaduddin Mahmud , Mason Nakamura , Shlomo Zilberstein

Large Language Models (LLMs) drive scientific question-answering on modern search engines, yet their evaluation robustness remains underexplored. We introduce YESciEval, an open-source framework that combines fine-grained rubric-based…

Computation and Language · Computer Science 2025-05-30 Jennifer D'Souza , Hamed Babaei Giglou , Quentin Münch

Relevance judgments are crucial for evaluating information retrieval systems, but traditional human-annotated labels are time-consuming and expensive. As a result, many researchers turn to automatic alternatives to accelerate method…

Information Retrieval · Computer Science 2025-07-15 Naghmeh Farzi , Laura Dietz

Large language models (LLMs) are being widely applied across various fields, but as tasks become more complex, evaluating their responses is increasingly challenging. Compared to human evaluators, the use of LLMs to support performance…

Artificial Intelligence · Computer Science 2025-04-25 Yuran Li , Jama Hussein Mohamud , Chongren Sun , Di Wu , Benoit Boulet

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Large language models (LLMs) based AI systems increasingly mediate what billions of people see, choose and buy. This creates an urgent need to quantify the systemic risks of LLM-driven market intermediation, including its implications for…

Human-Computer Interaction · Computer Science 2026-03-20 Jasmine Rienecker , Katarina Mpofu , Naman Goel , Siddhartha Datta , Jun Zhao , Oscar Danielsson , Fredrik Thorsen

Given the challenge of automatically evaluating free-form outputs from large language models (LLMs), an increasingly common solution is to use LLMs themselves as the judging mechanism, without any gold-standard scores. Implicitly, this…

Machine Learning · Computer Science 2026-04-07 Patrick Vossler , Fan Xia , Yifan Mai , Adarsh Subbaswamy , Jean Feng

Large language models (LLMs) have shown great promise in recommender systems, where supervised fine-tuning (SFT) is commonly used for adaptation. Subsequent studies further introduce preference learning to incorporate negative samples into…

Information Retrieval · Computer Science 2026-02-20 Bingqian Li , Bowen Zheng , Xiaolei Wang , Long Zhang , Jinpeng Wang , Sheng Chen , Wayne Xin Zhao , Ji-rong Wen

Auto-evaluating language models (LMs), i.e., using a grader LM to evaluate the candidate LM, is an appealing way to accelerate the evaluation process and the cost associated with it. But this presents a paradox: how can we trust the grader…

Machine Learning · Computer Science 2025-02-18 Jin Peng Zhou , Sébastien M. R. Arnold , Nan Ding , Kilian Q. Weinberger , Nan Hua , Fei Sha

Evaluating large language models (LLMs) in diverse and challenging scenarios is essential to align them with human preferences. To mitigate the prohibitive costs associated with human evaluations, utilizing a powerful LLM as a judge has…

Computation and Language · Computer Science 2025-03-10 Tianjun Wei , Wei Wen , Ruizhi Qiao , Xing Sun , Jianghong Ma

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Machine Learning · Computer Science 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy

Large Language Models (LLMs) are increasingly used as scalable evaluators of model outputs, but their preference judgments exhibit systematic biases and can diverge from human evaluations. Prior work on LLM-as-a-judge has largely focused on…

Computation and Language · Computer Science 2026-03-05 James Wedgwood , Chhavi Yadav , Virginia Smith

The rapid development of large language model (LLM) evaluation methodologies and datasets has led to a profound challenge: integrating state-of-the-art evaluation techniques cost-effectively while ensuring reliability, reproducibility, and…

Computation and Language · Computer Science 2024-04-10 Zhuohao Yu , Chang Gao , Wenjin Yao , Yidong Wang , Zhengran Zeng , Wei Ye , Jindong Wang , Yue Zhang , Shikun Zhang

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

Computation and Language · Computer Science 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

Recently, sequential recommendation has been adapted to the LLM paradigm to enjoy the power of LLMs. LLM-based methods usually formulate recommendation information into natural language and the model is trained to predict the next item in…

Information Retrieval · Computer Science 2024-02-16 Hanbing Wang , Xiaorui Liu , Wenqi Fan , Xiangyu Zhao , Venkataramana Kini , Devendra Yadav , Fei Wang , Zhen Wen , Jiliang Tang , Hui Liu
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