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Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Recent years have seen important advances in the building of interpretable models, machine learning models that are designed to be easily understood by humans. In this work, we show that large language models (LLMs) are remarkably good at…

Machine Learning · Computer Science 2024-02-23 Sebastian Bordt , Ben Lengerich , Harsha Nori , Rich Caruana

While Large Language Models (LLMs) have achieved strong performance across many NLP tasks, their opaque internal mechanisms hinder trustworthiness and safe deployment. Existing surveys in explainable AI largely focus on post-hoc explanation…

Computation and Language · Computer Science 2026-04-21 Yutong Gao , Qinglin Meng , Yuan Zhou , Liangming Pan

As machine learning (ML) systems take a more prominent and central role in contributing to life-impacting decisions, ensuring their trustworthiness and accountability is of utmost importance. Explanations sit at the core of these desirable…

Machine Learning · Computer Science 2021-06-16 Sahil Verma , Aditya Lahiri , John P. Dickerson , Su-In Lee

Large Language Models (LLMs) have achieved remarkable success in natural language tasks, yet understanding their reasoning processes remains a significant challenge. We address this by introducing XplainLLM, a dataset accompanying an…

Computation and Language · Computer Science 2024-09-24 Zichen Chen , Jianda Chen , Ambuj Singh , Misha Sra

In the rapidly evolving field of Explainable Natural Language Processing (NLP), textual explanations, i.e., human-like rationales, are pivotal for explaining model predictions and enriching datasets with interpretable labels. Traditional…

Computation and Language · Computer Science 2025-11-12 Mahdi Dhaini , Juraj Vladika , Ege Erdogan , Zineb Attaoui , Gjergji Kasneci

Large Language Models (LLMs) have demonstrated their capabilities across various tasks, from language translation to complex reasoning. Understanding and predicting human behavior and biases are crucial for artificial intelligence (AI)…

Artificial Intelligence · Computer Science 2024-08-06 Thuy Ngoc Nguyen , Kasturi Jamale , Cleotilde Gonzalez

Clinical decision-making requires reasoning over incomplete, imprecise, and linguistically expressed patient narratives. While large language models (LLMs) excel at extracting latent information from natural language, they lack the…

Artificial Intelligence · Computer Science 2026-05-26 Xiaoyang Fan , Yufan Cai , Zhe Hou , Jin Song Dong

This paper investigates the logical reasoning capabilities of large language models (LLMs). For a precisely defined yet tractable formulation, we choose the conceptually simple but technically complex task of constructing proofs in Boolean…

Machine Learning · Computer Science 2025-04-30 Yuan Xia , Akanksha Atrey , Fadoua Khmaissia , Kedar S. Namjoshi

Large Language Models (LLMs) can propose rules in natural language, sidestepping the need for a predefined predicate space in traditional rule learning. Yet many LLM-based approaches ignore interactions among rules, and the opportunity to…

Artificial Intelligence · Computer Science 2026-02-16 Yang Yang , Hua XU , Zhangyi Hu , Yutao Yue

Artificial Intelligence (AI) is rapidly embedded in critical decision-making systems, however their foundational ``black-box'' models require eXplainable AI (XAI) solutions to enhance transparency, which are mostly oriented to experts,…

Machine Learning · Computer Science 2025-06-17 Eva Paraschou , Ioannis Arapakis , Sofia Yfantidou , Sebastian Macaluso , Athena Vakali

Explainable machine learning (ML) enables human learning from ML, human appeal of automated model decisions, regulatory compliance, and security audits of ML models. Explainable ML (i.e. explainable artificial intelligence or XAI) has been…

Machine Learning · Statistics 2019-12-03 Patrick Hall , Navdeep Gill , Nicholas Schmidt

Large language models (LLMs) have the potential to aid and improve human decision-making in classification tasks, not only by providing fairly accurate predictions, but also in their ability to generate cogent narrative explanations of…

Human-Computer Interaction · Computer Science 2026-05-25 Laura R. Marusich , Mary Grace Kozuch Dhooghe , Jonathan Z. Bakdash , Murat Kantarcioglu

In the age of artificial intelligence (AI), providing learners with suitable and sufficient explanations of AI-based recommendation algorithm's output becomes essential to enable them to make an informed decision about it. However, the…

Human-Computer Interaction · Computer Science 2024-02-14 Hasan Abu-Rasheed , Christian Weber , Madjid Fathi

The era of Large Language Models (LLMs) presents a new opportunity for interpretability--agentic interpretability: a multi-turn conversation with an LLM wherein the LLM proactively assists human understanding by developing and leveraging a…

Artificial Intelligence · Computer Science 2025-06-17 Been Kim , John Hewitt , Neel Nanda , Noah Fiedel , Oyvind Tafjord

TalkWithMachines aims to enhance human-robot interaction by contributing to interpretable industrial robotic systems, especially for safety-critical applications. The presented paper investigates recent advancements in Large Language Models…

Robotics · Computer Science 2024-12-23 Ammar N. Abbas , Csaba Beleznai

Artificial intelligence (AI) has rapidly developed through advancements in computational power and the growth of massive datasets. However, this progress has also heightened challenges in interpreting the "black-box" nature of AI models. To…

Computer Vision and Pattern Recognition · Computer Science 2024-12-19 Shilin Sun , Wenbin An , Feng Tian , Fang Nan , Qidong Liu , Jun Liu , Nazaraf Shah , Ping Chen

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

We investigate whether large language models (LLMs) can generate effective, user-facing explanations from a mathematically interpretable recommendation model. The model is based on constrained matrix factorization, where user types are…

Artificial Intelligence · Computer Science 2025-10-02 Maxime Manderlier , Fabian Lecron , Olivier Vu Thanh , Nicolas Gillis

This study explores the explainability capabilities of large language models (LLMs), when employed to autonomously generate machine learning (ML) solutions. We examine two classification tasks: (i) a binary classification problem focused on…