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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

Subjective evaluation of LLM behavior -- empathy, restraint, calibrated emotional tone -- is hard. Human inter-rater agreement on such qualities saturates near rho ~ 0.45, and an LLM-as-judge proxy alone risks circularity: a judge sharing…

Computation and Language · Computer Science 2026-05-28 Yuming , Huang , Yao Liu , Lei Wang , Junchen Wan

Large language models (LLMs) have emerged as powerful tools for addressing a wide range of general inquiries and tasks. Despite this, fine-tuning aligned LLMs on smaller, domain-specific datasets, critical to adapting them to specialized…

Artificial Intelligence · Computer Science 2025-02-04 Guanlin Li , Kangjie Chen , Shangwei Guo , Jie Zhang , Han Qiu , Chao Zhang , Guoyin Wang , Tianwei Zhang , Jiwei Li

Large Language Models (LLMs) push the bound-aries in natural language processing and generative AI, driving progress across various aspects of modern society. Unfortunately, the pervasive issue of bias in LLMs responses (i.e., predictions)…

Computation and Language · Computer Science 2025-05-20 Isabela Pereira Gregio , Ian Pons , Anna Helena Reali Costa , Artur Jordão

LLM-as-judge frameworks are increasingly used for automatic NLG evaluation, yet their per-instance reliability remains poorly understood. We present a two-pronged diagnostic toolkit applied to SummEval: $\textbf{(1)}$ a transitivity…

Artificial Intelligence · Computer Science 2026-04-17 Manan Gupta , Dhruv Kumar

Standardized math assessments require expensive human pilot studies to establish the difficulty of test items. We investigate the predictive value of open-source large language models (LLMs) for evaluating the difficulty of multiple-choice…

Computation and Language · Computer Science 2026-04-22 Christabel Acquaye , Yi Ting Huang , Marine Carpuat , Rachel Rudinger

Truly reliable AI requires more than simply scaling up knowledge; it demands the ability to know what it knows and when it does not. Yet recent research shows that even the best LLMs misjudge their own competence in more than one in five…

Computation and Language · Computer Science 2025-10-14 Sahil Kale , Devendra Singh Dhami

LLMs have achieved remarkable success in complex reasoning tasks, yet current evaluation approaches predominantly rely on final-answer correctness, offering limited insight into the underlying reasoning processes that produce those answers.…

Artificial Intelligence · Computer Science 2026-05-26 Ali Şenol , Garima Agrawal , Huan Liu

Large language models (LLMs) are increasingly used in social science as scalable measurement tools for converting unstructured text into variables that can enter standard empirical designs. Measurement validity demands more than high…

Artificial Intelligence · Computer Science 2026-05-13 Jinyuan Wang , Ningyuan Deng , Yi Yang

Large language Models (LLMs) have achieved significant breakthroughs across diverse domains; however, they can still produce unreliable or misleading outputs. For responsible LLM application, Uncertainty Quantification (UQ) techniques are…

Machine Learning · Computer Science 2026-05-15 Qihao Wen , Jiahao Wang , Yang Nan , Pengfei He , Ravi Tandon , Han Xu

While random demonstration labels barely hurt in-context learning (Min et al., 2022), we show that homogeneous labels--even semantically valid ones--collapse accuracy to <=12% across six models (Pythia, Llama, Qwen; 0.8B--8B) and four…

Machine Learning · Computer Science 2026-05-12 Ming Liu

We investigate trend identification in the LML and MAN atmospheric ammonia data. The signals are mixed in the LML data, with just as many positive, negative, and no trends found. The start date for trend identification is crucial, with the…

Applications · Statistics 2019-07-25 William M. Briggs , Jaap Hanekamp

LLM agent systems are built by stacking scaffolding components (planning, tools, memory, self-reflection, retrieval) assuming more is better. We study cross-component interference (CCI): degradation when components interact destructively.…

Artificial Intelligence · Computer Science 2026-05-08 Ming Liu

Large language models (LLMs) are evaluated for calibration using metrics such as Expected Calibration Error that conflate two distinct components: the model's ability to discriminate correct from incorrect answers (sensitivity) and its…

Computation and Language · Computer Science 2026-03-17 Jon-Paul Cacioli

Scaling test-time computation with reinforcement learning (RL) has emerged as a reliable path to improve large language models (LLM) reasoning ability. Yet, outcome-based reward often incentivizes models to be overconfident, leading to…

Machine Learning · Computer Science 2026-04-28 Liaoyaqi Wang , Chunsheng Zuo , William Jurayj , Benjamin Van Durme , Anqi Liu

Machine unlearning in Vision-Language Models (VLMs) is required for compliance with the General Data Protection Regulation (GDPR), yet current evaluation practices are inconsistent. We present the first systematic study of metric…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Abdullah Ahmad Khan , Hamid Laga , Ferdous Sohel

Large language models (LLMs) often produce unsupported or unverifiable content, known as "hallucinations." To mitigate this, retrieval-augmented LLMs incorporate citations, grounding the content in verifiable sources. Despite such…

Information Retrieval · Computer Science 2024-08-26 Weijia Zhang , Mohammad Aliannejadi , Yifei Yuan , Jiahuan Pei , Jia-Hong Huang , Evangelos Kanoulas

Evaluating answers from state-of-the-art large language models (LLMs) is challenging: lexical metrics miss semantic nuances, whereas "LLM-as-Judge" scoring is computationally expensive. We re-evaluate a lightweight alternative --…

Computation and Language · Computer Science 2025-11-12 Sai Shridhar Balamurali , Lu Cheng

Reinforcement learning with verifiable rewards (RLVR) scales the reasoning ability of large language models (LLMs) but remains bottlenecked by limited labeled samples for continued data scaling. Reinforcement learning with intrinsic rewards…

Machine Learning · Computer Science 2025-10-13 Chuyi Tan , Peiwen Yuan , Xinglin Wang , Yiwei Li , Shaoxiong Feng , Yueqi Zhang , Jiayi Shi , Ji Zhang , Boyuan Pan , Yao Hu , Kan Li

Large Language Models (LLMs) can correct their self-generated responses, but a decline in accuracy after self-correction is also witnessed. To have a deeper understanding of self-correction, we endeavor to decompose, evaluate, and analyze…

Computation and Language · Computer Science 2024-12-30 Zhe Yang , Yichang Zhang , Yudong Wang , Ziyao Xu , Junyang Lin , Zhifang Sui