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Hallucinations are a common issue that undermine the reliability of large language models (LLMs). Recent studies have identified a specific subset of hallucinations, known as confabulations, which arise due to predictive uncertainty of…

Machine Learning · Computer Science 2025-10-24 Mykyta Ielanskyi , Kajetan Schweighofer , Lukas Aichberger , Sepp Hochreiter

Large language models (LLMs) demonstrate remarkable performance across various tasks, prompting researchers to develop diverse evaluation benchmarks. However, most benchmarks typically measure the ability of LLMs to respond to individual…

Computation and Language · Computer Science 2026-01-30 Yutao Hou , Yajing Luo , Zhiwen Ruan , Hongru Wang , Weifeng Ge , Yun Chen , Guanhua Chen

Large Language Models (LLMs) that can express interpretable and calibrated uncertainty are crucial in high-stakes domains. While methods to compute uncertainty post-hoc exist, they are often sampling-based and therefore computationally…

Machine Learning · Computer Science 2026-03-09 Azza Jenane , Nassim Walha , Lukas Kuhn , Florian Buettner

Complex multi-step reasoning tasks, such as solving mathematical problems, remain challenging for large language models (LLMs). While outcome supervision is commonly used, process supervision via process reward models (PRMs) provides…

Computation and Language · Computer Science 2025-02-18 Zihuiwen Ye , Luckeciano Carvalho Melo , Younesse Kaddar , Phil Blunsom , Sam Staton , Yarin Gal

As large language models (LLMs) become integral to code-related tasks, a central question emerges: Do LLMs truly understand program semantics? We introduce EquiBench, a new benchmark for evaluating LLMs through equivalence checking, i.e.,…

Machine Learning · Computer Science 2025-09-23 Anjiang Wei , Jiannan Cao , Ran Li , Hongyu Chen , Yuhui Zhang , Ziheng Wang , Yuan Liu , Thiago S. F. X. Teixeira , Diyi Yang , Ke Wang , Alex Aiken

Empowering large language models to accurately express confidence in their answers is essential for trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information…

Computation and Language · Computer Science 2024-03-19 Miao Xiong , Zhiyuan Hu , Xinyang Lu , Yifei Li , Jie Fu , Junxian He , Bryan Hooi

Concept Bottleneck Models (CBMs) provide inherent interpretability by first mapping input samples to high-level semantic concepts, followed by a combination of these concepts for the final classification. However, the annotation of…

Machine Learning · Computer Science 2026-03-02 Yangyi Li , Mengdi Huai

Quantitative reasoning is a critical skill to analyze data, yet the assessment of such ability remains limited. To address this gap, we introduce the Quantitative Reasoning with Data (QRData) benchmark, aiming to evaluate Large Language…

Computation and Language · Computer Science 2024-06-11 Xiao Liu , Zirui Wu , Xueqing Wu , Pan Lu , Kai-Wei Chang , Yansong Feng

Large Language Models (LLMs) are extensively used today across various sectors, including academia, research, business, and finance, for tasks such as text generation, summarization, and translation. Despite their widespread adoption, these…

Computation and Language · Computer Science 2024-04-26 Yash Saxena , Sarthak Chopra , Arunendra Mani Tripathi

Recent advances in reasoning with large language models (LLMs) have demonstrated strong performance on complex mathematical tasks, including combinatorial optimization. Techniques such as Chain-of-Thought and In-Context Learning have…

Artificial Intelligence · Computer Science 2025-09-17 Marylou Fauchard , Florian Carichon , Margarida Carvalho , Golnoosh Farnadi

Large Reasoning Models (LRMs) exhibit strong performance, yet often produce rationales that sound plausible but fail to reflect their true decision process, undermining reliability and trust. We introduce a formal framework for reasoning…

Artificial Intelligence · Computer Science 2026-02-24 Yunseok Han , Yejoon Lee , Jaeyoung Do

Uncertainty quantification (UQ) methods for large language models are predominantly designed by hand based on domain knowledge and heuristics, limiting their scalability and generality. We apply LLM-powered evolutionary search to…

Computation and Language · Computer Science 2026-04-07 Mikhail Seleznyov , Daniil Korbut , Viktor Moskvoretskii , Oleg Somov , Alexander Panchenko , Elena Tutubalina

Large Language Models (LLMs) trained via Reinforcement Learning (RL) have recently achieved impressive results on reasoning benchmarks. Yet, growing evidence shows that these models often generate longer but ineffective chains of thought…

Machine Learning · Computer Science 2025-07-02 Jhouben Cuesta-Ramirez , Samuel Beaussant , Mehdi Mounsif

Large Language Models (LLMs) are increasingly described as possessing strong reasoning capabilities, supported by high performance on mathematical, logical, and planning benchmarks. However, most existing evaluations rely on aggregate…

Computation and Language · Computer Science 2026-04-16 Md. Fahad Ullah Utsho , Mohd. Ruhul Ameen , Akif Islam , Md. Golam Rashed , Dipankar Das

Large language models (LLMs) possess strong semantic understanding, driving significant progress in data mining applications. This is further enhanced by large reasoning models (LRMs), which provide explicit multi-step reasoning traces. On…

Machine Learning · Computer Science 2026-04-07 Aobo Chen , Chenxu Zhao , Chenglin Miao , Mengdi Huai

Recent advancements in large language models (LLMs) are propelling us toward artificial general intelligence with their remarkable emergent abilities and reasoning capabilities. However, the substantial computational and memory requirements…

Machine Learning · Computer Science 2024-10-10 Ruihao Gong , Yang Yong , Shiqiao Gu , Yushi Huang , Chengtao Lv , Yunchen Zhang , Xianglong Liu , Dacheng Tao

Large language models (LLMs) exhibit strong generative capabilities but remain vulnerable to confabulations, fluent yet unreliable outputs that vary arbitrarily even under identical prompts. Leveraging a quantum tensor network based…

Computation and Language · Computer Science 2026-02-03 Pragatheeswaran Vipulanandan , Kamal Premaratne , Dilip Sarkar

Despite the increasing demand for safer machine learning practices, the use of Uncertainty Quantification (UQ) methods in production remains limited. This limitation is exacerbated by the challenge of validating UQ methods in absence of UQ…

Machine Learning · Computer Science 2025-03-03 Arthur Pignet , Chiara Regniez , John Klein

Large Language Models (LLMs) have exploded a new heatwave of AI for their ability to engage end-users in human-level conversations with detailed and articulate answers across many knowledge domains. In response to their fast adoption in…

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley
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