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We propose a general-purpose approach for improving the ability of large language models (LLMs) to intelligently and adaptively gather information from a user or other external source using the framework of sequential Bayesian experimental…

Computation and Language · Computer Science 2026-04-22 Deepro Choudhury , Sinead Williamson , Adam Goliński , Ning Miao , Freddie Bickford Smith , Michael Kirchhof , Yizhe Zhang , Tom Rainforth

Knowing the reliability of a model's response is essential in practical applications. Given the strong generation capabilities of large language models (LLMs), research has focused on generating verbalized confidence. This approach is…

Computation and Language · Computer Science 2026-04-02 Ante Wang , Weizhi Ma , Yang Liu

Large language models (LLMs) exhibit probabilistic output characteristics, yet conventional evaluation frameworks rely on deterministic scalar metrics. This study introduces a Bayesian approach for LLM capability assessment that integrates…

Computation and Language · Computer Science 2025-05-01 Xiao Xiao , Yu Su , Sijing Zhang , Zhang Chen , Yadong Chen , Tian Liu

Despite rapid progress in large language models (LLMs), the statistical structure of their weights, activations, and gradients-and its implications for initialization, training dynamics, and efficiency-remains largely unexplored. We…

Machine Learning · Computer Science 2026-02-24 Jun Wu , Patrick Huang , Jiangtao Wen , Yuxing Han

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

The development of large language models (LLMs) has successfully transformed knowledge-based systems such as open domain question nswering, which can automatically produce vast amounts of seemingly coherent information. Yet, those models…

Artificial Intelligence · Computer Science 2026-01-28 Eduardo C. Garrido-Merchán , Cristina Puente

Neural language models are black-boxes--both linguistic patterns and factual knowledge are distributed across billions of opaque parameters. This entangled encoding makes it difficult to reliably inspect, verify, or update specific facts.…

We introduce a simple method for probabilistic predictions on tabular data based on Large Language Models (LLMs) called JoLT (Joint LLM Process for Tabular data). JoLT uses the in-context learning capabilities of LLMs to define joint…

Generalized Category Discovery (GCD) is a crucial task that aims to recognize both known and novel categories from a set of unlabeled data by utilizing a few labeled data with only known categories. Due to the lack of supervision and…

Computation and Language · Computer Science 2024-05-28 Wenbin An , Wenkai Shi , Feng Tian , Haonan Lin , QianYing Wang , Yaqiang Wu , Mingxiang Cai , Luyan Wang , Yan Chen , Haiping Zhu , Ping Chen

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

Molecular Property Prediction (MPP) is a fundamental problem in drug discovery that has recently attracted growing attention. Large Language Models (LLMs), known for their impressive proficiency across domains, show promise as generalist…

Machine Learning · Computer Science 2026-05-28 Khiem Le , Sreejata Dey , Marcos Martínez Galindo , Vanessa Lopez , Ting Hua , Nitesh V. Chawla , Hoang Thanh Lam

Large Language Models (LLMs) have shown exceptional performance in text processing. Notably, LLMs can synthesize information from large datasets and explain their decisions similarly to human reasoning through a chain of thought (CoT). An…

Computation and Language · Computer Science 2024-06-10 Michał Romaszewski , Przemysław Sekuła , Przemysław Głomb , Michał Cholewa , Katarzyna Kołodziej

Large Language Models (LLMs) can achieve strong performance on many tasks by producing step-by-step reasoning before giving a final output, often referred to as chain-of-thought reasoning (CoT). It is tempting to interpret these CoT…

Computation and Language · Computer Science 2023-12-12 Miles Turpin , Julian Michael , Ethan Perez , Samuel R. Bowman

The Language of Thought Hypothesis suggests that human cognition operates on a structured, language-like system of mental representations. While neural language models can naturally benefit from the compositional structure inherently and…

Machine Learning · Computer Science 2024-04-18 Yi-Fu Wu , Minseung Lee , Sungjin Ahn

Statistical model discovery is a challenging search over a vast space of models subject to domain-specific constraints. Efficiently searching over this space requires expertise in modeling and the problem domain. Motivated by the domain…

Machine Learning · Computer Science 2024-06-25 Michael Y. Li , Emily B. Fox , Noah D. Goodman

A central characteristic of Bayesian statistics is the ability to consistently incorporate prior knowledge into various modeling processes. In this paper, we focus on translating domain expert knowledge into corresponding prior…

Methodology · Statistics 2024-04-16 Florence Bockting , Stefan T. Radev , Paul-Christian Bürkner

Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

Large Language Models (LLMs) are increasingly deployed for clinical reasoning tasks, which inherently require eliciting calibrated probabilistic beliefs based on available evidence. However, real-world clinical data are frequently…

Artificial Intelligence · Computer Science 2026-03-19 Yuta Kobayashi , Vincent Jeanselme , Shalmali Joshi

The deployment and application of Large Language Models (LLMs) is hindered by their memory inefficiency, computational demands, and the high costs of API inferences. Traditional distillation methods, which transfer the capabilities of LLMs…

Computation and Language · Computer Science 2024-11-21 Yifei Zhang , Bo Pan , Chen Ling , Yuntong Hu , Liang Zhao

The interpretation of implicit meanings is an integral aspect of human communication. However, this framework may not transfer to interactions with Large Language Models (LLMs). To investigate this, we introduce the task of Implicit…

Computation and Language · Computer Science 2026-04-21 Antonio De Santis , Tommaso Bonetti , Andrea Tocchetti , Marco Brambilla