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Large language models (LLMs) are increasingly deployed in decision-making tasks, where not only accuracy but also reliable confidence estimates are essential. Well-calibrated confidence enables downstream systems to decide when to trust a…

Machine Learning · Computer Science 2026-01-21 Duygu Nur Yaldiz , Evangelia Spiliopoulou , Zheng Qi , Siddharth Varia , Srikanth Doss , Nikolaos Pappas

We investigate whether large language models (LLMs) can predict whether they will succeed on a given task and whether their predictions improve as they progress through multi-step tasks. We also investigate whether LLMs can learn from…

Computation and Language · Computer Science 2026-01-01 Casey O. Barkan , Sid Black , Oliver Sourbut

Large Language Models (LLMs) have gained widespread adoption across various domains, including chatbots and auto-task completion agents. However, these models are susceptible to safety vulnerabilities such as jailbreaking, prompt injection,…

Cryptography and Security · Computer Science 2024-09-10 Divyanshu Kumar , Anurakt Kumar , Sahil Agarwal , Prashanth Harshangi

Reinforcement learning (RL) has demonstrated potential in enhancing the reasoning capabilities of large language models (LLMs), but such training typically demands substantial efforts in creating and annotating data. In this work, we…

Computation and Language · Computer Science 2025-10-06 Hangfan Zhang , Siyuan Xu , Zhimeng Guo , Huaisheng Zhu , Shicheng Liu , Xinrun Wang , Qiaosheng Zhang , Yang Chen , Peng Ye , Lei Bai , Shuyue Hu

The planning ability of Large Language Models (LLMs) has garnered increasing attention in recent years due to their remarkable capacity for multi-step reasoning and their ability to generalize across a wide range of domains. While some…

Artificial Intelligence · Computer Science 2025-02-19 Mohamed Aghzal , Erion Plaku , Gregory J. Stein , Ziyu Yao

Recent studies show that large language models (LLMs) improve their performance through self-feedback on certain tasks while degrade on others. We discovered that such a contrary is due to LLM's bias in evaluating their own output. In this…

Computation and Language · Computer Science 2024-06-19 Wenda Xu , Guanglei Zhu , Xuandong Zhao , Liangming Pan , Lei Li , William Yang Wang

Large Language Models (LLMs) have shown remarkable progress, but their real-world application necessitates reliable calibration. This study conducts a comprehensive analysis of calibration degradation of LLMs across four dimensions: models,…

Computation and Language · Computer Science 2025-02-11 Hongseok Oh , Wonseok Hwang

Accurately gauging the confidence level of Large Language Models' (LLMs) predictions is pivotal for their reliable application. However, LLMs are often uncalibrated inherently and elude conventional calibration techniques due to their…

Large language models (LLMs) have revolutionized the field of natural language processing with their impressive reasoning and question-answering capabilities. However, these models are sometimes prone to generating credible-sounding but…

Computation and Language · Computer Science 2026-04-21 Ranganath Krishnan , Piyush Khanna , Omesh Tickoo

Large language models (LLMs) demonstrate strong mathematical reasoning, but reliance on closed-source APIs for OR tasks raises privacy concerns, and training open-source models from scratch incurs high compute costs. We introduce…

Artificial Intelligence · Computer Science 2025-10-03 Jianzhang Zhang , Jialong Zhou , Chuang Liu

Large language models (LLMs) have displayed massive improvements in reasoning and decision-making skills and can hold natural conversations with users. Many recent works seek to augment LLM-based assistants with external tools so they can…

Computation and Language · Computer Science 2023-11-21 Nicholas Farn , Richard Shin

Large Language Models (LLMs) are increasingly assisting users in the real world, yet their reliability remains a concern. Uncertainty quantification (UQ) has been heralded as a tool to enhance human-LLM collaboration by enabling users to…

Computation and Language · Computer Science 2025-06-10 Siddartha Devic , Tejas Srinivasan , Jesse Thomason , Willie Neiswanger , Vatsal Sharan

Large language models (LLMs) can sometimes report the strategies they actually use to solve tasks, yet at other times seem unable to recognize those strategies that govern their behavior. This suggests a limited degree of metacognition -…

Artificial Intelligence · Computer Science 2025-10-27 Li Ji-An , Hua-Dong Xiong , Robert C. Wilson , Marcelo G. Mattar , Marcus K. Benna

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) have exhibited exciting progress in multiple scenarios, while the huge computational demands hinder their deployments in lots of real-world applications. As an effective means to reduce memory footprint and…

Machine Learning · Computer Science 2024-06-21 Yijun Liu , Yuan Meng , Fang Wu , Shenhao Peng , Hang Yao , Chaoyu Guan , Chen Tang , Xinzhu Ma , Zhi Wang , Wenwu Zhu

Training large language models (LLMs) for external tool usage is a rapidly expanding field, with recent research focusing on generating synthetic data to address the shortage of available data. However, the absence of systematic data…

Machine Learning · Computer Science 2024-09-27 Shadi Iskander , Nachshon Cohen , Zohar Karnin , Ori Shapira , Sofia Tolmach

Tool-augmented large language models (LLMs) are attracting widespread attention when accessing up-to-date knowledge and alleviating hallucination issues. Nowadays, advanced closed-source LLMs (e.g., ChatGPT) have demonstrated surprising…

Computation and Language · Computer Science 2024-08-29 Anchun Gui , Jian Li , Yong Dai , Nan Du , Han Xiao

Current evaluations of tool-integrated LLM agents typically focus on end-to-end tool-usage evaluation while neglecting their stability. This limits their real-world applicability, as various internal or external factors can cause agents to…

Computation and Language · Computer Science 2025-06-30 Weimin Xiong , Ke Wang , Yifan Song , Hanchao Liu , Sai Zhou , Wei Peng , Sujian Li

Large Language Models (LLMs) are rapidly transforming various fields, and their potential in Business Process Management (BPM) is substantial. This paper assesses the capabilities of LLMs on business process modeling using a framework for…

Databases · Computer Science 2024-12-03 Humam Kourani , Alessandro Berti , Daniel Schuster , Wil M. P. van der Aalst

Recent advancements in integrating large language models (LLMs) with tools have allowed the models to interact with real-world environments. However, these tool-augmented LLMs often encounter incomplete scenarios when users provide partial…

Computation and Language · Computer Science 2025-08-05 Seungbin Yang , ChaeHun Park , Taehee Kim , Jaegul Choo
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