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To enhance Large Language Models' (LLMs) reliability, calibration is essential -- the model's assessed confidence scores should align with the actual likelihood of its responses being correct. However, current confidence elicitation methods…

Computation and Language · Computer Science 2024-10-29 Yukun Huang , Yixin Liu , Raghuveer Thirukovalluru , Arman Cohan , Bhuwan Dhingra

[Context and motivation] Large language models (LLMs) show notable results in natural language processing (NLP) tasks for requirements engineering (RE). However, their use is compromised by high computational cost, data sharing risks, and…

Software Engineering · Computer Science 2025-10-27 Mohammad Amin Zadenoori , Vincenzo De Martino , Jacek Dabrowski , Xavier Franch , Alessio Ferrari

Existing research on large language models (LLMs) for automated code compliance has primarily focused on performance, treating the models as black boxes and overlooking how training decisions affect their interpretive behavior. This paper…

Computation and Language · Computer Science 2026-04-20 Jack Wei Lun Shi , Minghao Dang , Wawan Solihin , Justin K. W. Yeoh

Large language model (LLM) evaluation is increasingly costly, prompting interest in methods that speed up evaluation by shrinking benchmark datasets. Benchmark prediction (also called efficient LLM evaluation) aims to select a small subset…

Machine Learning · Computer Science 2025-06-10 Guanhua Zhang , Florian E. Dorner , Moritz Hardt

Post-training quantization of Large Language Models (LLMs) has proven effective in reducing the memory and computational requirements for inference. In this study, we focus on a straightforward question: When aiming for a target accuracy or…

Computation and Language · Computer Science 2025-08-08 Zeyu Cao , Boyang Gu , Cheng Zhang , Pedro Gimenes , Jianqiao Lu , Jianyi Cheng , Xitong Gao , Yiren Zhao

We investigate the robustness of Large Language Models (LLMs) to structural interventions by deleting and swapping adjacent layers during inference. Surprisingly, models retain 72-95% of their original top-1 prediction accuracy without any…

Machine Learning · Computer Science 2025-06-17 Vedang Lad , Jin Hwa Lee , Wes Gurnee , Max Tegmark

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Large Language Models (LLMs) have the impressive ability to perform in-context learning (ICL) from only a few examples, but the success of ICL varies widely from task to task. Thus, it is important to quickly determine whether ICL is…

Computation and Language · Computer Science 2023-10-27 Harvey Yiyun Fu , Qinyuan Ye , Albert Xu , Xiang Ren , Robin Jia

Large Language Models (LLMs) often produce explanations that do not faithfully reflect the factors driving their predictions. In healthcare settings, such unfaithfulness is especially problematic: explanations that omit salient clinical…

Computation and Language · Computer Science 2025-11-04 Teague McMillan , Gabriele Dominici , Martin Gjoreski , Marc Langheinrich

Mathematical reasoning is a challenging task for large language models (LLMs), while the scaling relationship of it with respect to LLM capacity is under-explored. In this paper, we investigate how the pre-training loss, supervised data…

Computation and Language · Computer Science 2023-09-14 Zheng Yuan , Hongyi Yuan , Chengpeng Li , Guanting Dong , Keming Lu , Chuanqi Tan , Chang Zhou , Jingren Zhou

Large Language Model (LLM) inference systems present significant challenges in statistical performance characterization due to dynamic workload variations, diverse hardware architectures, and complex interactions between model size, batch…

Performance · Computer Science 2025-05-15 Kaustabha Ray , Nelson Mimura Gonzalez , Bruno Wassermann , Rachel Tzoref-Brill , Dean H. Lorenz

Large language models (LLMs) are increasingly used to simulate human behavior, but common practices to use LLM-generated data are inefficient. Treating an LLM's output ("model choice") as a single data point underutilizes the information…

Artificial Intelligence · Computer Science 2025-12-30 Hongshen Sun , Juanjuan Zhang

Large Language Models (LLMs) show promise for automated grading, but their outputs can be unreliable. Rather than improving grading accuracy directly, we address a complementary problem: \textit{predicting when an LLM grader is likely to be…

Computation and Language · Computer Science 2026-04-01 Robinson Ferrer , Damla Turgut , Zhongzhou Chen , Shashank Sonkar

Accurate estimation of project costs and durations remains a pivotal challenge in software engineering, directly impacting budgeting and resource management. Traditional estimation techniques, although widely utilized, often fall short due…

Software Engineering · Computer Science 2024-09-17 Justin Carpenter , Chia-Ying Wu , Nasir U. Eisty

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) are increasingly employed in various question-answering tasks. However, recent studies showcase that LLMs are susceptible to persuasion and could adopt counterfactual beliefs. We present a systematic evaluation…

Computation and Language · Computer Science 2026-03-20 Fan Huang , Haewoon Kwak , Jisun An

As large language models (LLMs) continue to scale in size, the computational overhead has become a major bottleneck for task-specific fine-tuning. While low-rank adaptation (LoRA) effectively curtails this cost by confining the weight…

Machine Learning · Computer Science 2026-05-15 Yilang Zhang , Xiaodong Yang , Yiwei Cai , Georgios B. Giannakis

Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the…

Computation and Language · Computer Science 2025-10-28 Jiayi Yuan , Hao Li , Xinheng Ding , Wenya Xie , Yu-Jhe Li , Wentian Zhao , Kun Wan , Jing Shi , Xia Hu , Zirui Liu

Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning of large language models by decomposing weight updates into low-rank matrices, significantly reducing storage and computational overhead. While effective, standard LoRA…

Machine Learning · Computer Science 2025-09-03 Patryk Marszałek , Klaudia Bałazy , Jacek Tabor , Tomasz Kuśmierczyk

Comprehensive evaluation of Large Language Models (LLMs) is an open research problem. Existing evaluations rely on deterministic point estimates generated via greedy decoding. However, we find that deterministic evaluations fail to capture…

Machine Learning · Computer Science 2025-03-04 Yan Scholten , Stephan Günnemann , Leo Schwinn