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The rapid advancement of large language models (LLMs) calls for a rigorous theoretical framework to explain their empirical success. While significant progress has been made in understanding LLM behaviors, existing theoretical frameworks…

Machine Learning · Computer Science 2025-05-22 Jun Wan , Lingrui Mei

Evaluating mathematical reasoning in LLMs is constrained by limited benchmark sizes and inherent model stochasticity, yielding high-variance accuracy estimates and unstable rankings across platforms. On difficult problems, an LLM may fail…

Machine Learning · Computer Science 2026-02-04 Zihan Dong , Zhixian Zhang , Yang Zhou , Can Jin , Ruijia Wu , Linjun Zhang

Despite widespread success in language understanding and generation, large language models (LLMs) exhibit unclear and often inconsistent behavior when faced with tasks that require probabilistic reasoning. In this work, we present the first…

Computation and Language · Computer Science 2025-09-29 Mobina Pournemat , Keivan Rezaei , Gaurang Sriramanan , Arman Zarei , Jiaxiang Fu , Yang Wang , Hamid Eghbalzadeh , Soheil Feizi

This paper explores generalised probabilistic modelling and uncertainty estimation in comparative LLM-as-a-judge frameworks. We show that existing Product-of-Experts methods are specific cases of a broader framework, enabling diverse…

Artificial Intelligence · Computer Science 2025-05-22 Yassir Fathullah , Mark J. F. Gales

Solomonoff sequence prediction is a scheme to predict digits of binary strings without knowing the underlying probability distribution. We call a prediction scheme informed when it knows the true probability distribution of the sequence.…

Artificial Intelligence · Computer Science 2007-05-23 Marcus Hutter

Pairwise human-preference platforms such as Chatbot Arena have become central to large language model (LLM) evaluation, yet reliable task-specific ranking remains challenging. Global leaderboards mask task heterogeneity, while ranking each…

Methodology · Statistics 2026-05-29 Jiachun Li , David Simchi-Levi , Will Wei Sun

Solomonoff Induction is an optimal-in-the-limit unbounded algorithm for sequence prediction, representing a Bayesian mixture of every computable probability distribution and performing close to optimally in predicting any computable…

Artificial Intelligence · Computer Science 2024-08-23 Nathan Young , Michael Witbrock

In many high-risk machine learning applications it is essential for a model to indicate when it is uncertain about a prediction. While large language models (LLMs) can reach and even surpass human-level accuracy on a variety of benchmarks,…

Computation and Language · Computer Science 2024-06-06 Evan Becker , Stefano Soatto

This paper considers the challenges Large Language Models (LLMs) face when reasoning over text that includes information involving uncertainty explicitly quantified via probability values. This type of reasoning is relevant to a variety of…

Computation and Language · Computer Science 2024-12-30 Aliakbar Nafar , Kristen Brent Venable , Parisa Kordjamshidi

Selective inference aims at providing valid inference after a data-driven selection of models or hypotheses. It is essential to avoid overconfident results and replicability issues. While significant advances have been made in this area for…

Methodology · Statistics 2025-03-14 Matteo D'Alessandro , Magne Thoresen

Large Language Models (LLMs) have recently improved mathematical reasoning through Reinforcement Learning with Verifiable Reward (RLVR). However, existing RLVR algorithms require large query budgets, making annotation costly. We investigate…

Artificial Intelligence · Computer Science 2026-02-02 Hao Yi , Yulan Hu , Xin Li , Sheng Ouyang , Lizhong Ding , Yong Liu

In this paper, we study the problem of uncertainty estimation and calibration for LLMs. We begin by formulating the uncertainty estimation problem, a relevant yet underexplored area in existing literature. We then propose a supervised…

Machine Learning · Computer Science 2024-10-24 Linyu Liu , Yu Pan , Xiaocheng Li , Guanting Chen

Explainable machine learning (XML) has emerged as a major challenge in artificial intelligence (AI). Although black-box models such as Deep Neural Networks and Gradient Boosting often exhibit exceptional predictive accuracy, their lack of…

Methodology · Statistics 2024-06-18 Evgenii Kuriabov , Jia Li

Large Language Models (LLMs) have demonstrated exceptional capabilities, yet selecting the most reliable response from multiple LLMs remains a challenge, particularly in resource-constrained settings. Existing approaches often depend on…

Computation and Language · Computer Science 2025-10-06 Aakriti Agrawal , Rohith Aralikatti , Anirudh Satheesh , Souradip Chakraborty , Amrit Singh Bedi , Furong Huang

Large Language Models (LLMs) are increasingly being explored across a range of reasoning tasks. However, LLMs sometimes struggle with reasoning tasks under uncertainty that are relatively easy for humans, such as planning actions in…

Artificial Intelligence · Computer Science 2025-11-06 Ziwei Deng , Mian Deng , Chenjing Liang , Zeming Gao , Chennan Ma , Chenxing Lin , Haipeng Zhang , Songzhu Mei , Siqi Shen , Cheng Wang

Large language models (LLMs) are stochastic, and not all models give deterministic answers, even when setting temperature to zero with a fixed random seed. However, few benchmark studies attempt to quantify uncertainty, partly due to the…

Computation and Language · Computer Science 2025-06-30 Robert E. Blackwell , Jon Barry , Anthony G. Cohn

Accurately quantifying uncertainty in large language models (LLMs) is crucial for their reliable deployment, especially in high-stakes applications. Current state-of-the-art methods for measuring semantic uncertainty in LLMs rely on strict…

Machine Learning · Computer Science 2024-10-31 Yashvir S. Grewal , Edwin V. Bonilla , Thang D. Bui

Many learning tasks can be viewed as sequence prediction problems. For example, online classification can be converted to sequence prediction with the sequence being pairs of input/target data and where the goal is to correctly predict the…

Machine Learning · Computer Science 2012-02-10 Tor Lattimore , Marcus Hutter , Vaibhav Gavane

Prompt optimization algorithms for Large Language Models (LLMs) excel in multi-step reasoning but still lack effective uncertainty estimation. This paper introduces a benchmark dataset to evaluate uncertainty metrics, focusing on Answer,…

Machine Learning · Computer Science 2024-12-30 Pei-Fu Guo , Yun-Da Tsai , Shou-De Lin

Recent studies have raised significant concerns regarding the reliability of current mathematics benchmarks, highlighting issues such as simplistic design and potential data contamination. Consequently, developing a reliable benchmark that…

Computation and Language · Computer Science 2025-08-14 Zijin Hong , Hao Wu , Su Dong , Junnan Dong , Yilin Xiao , Yujing Zhang , Zhu Wang , Feiran Huang , Linyi Li , Hongxia Yang , Xiao Huang
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