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Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

While large language models (LLMs) have demonstrated remarkable reasoning capabilities, they often struggle with complex tasks that require specific thinking paradigms, such as divide-and-conquer and procedural deduction, \etc Previous…

Software Engineering · Computer Science 2025-06-05 Kechi Zhang , Ge Li , Jia Li , Huangzhao Zhang , Jingjing Xu , Hao Zhu , Lecheng Wang , Jia Li , Yihong Dong , Jing Mai , Bin Gu , Zhi Jin

Concept Bottleneck Models (CBMs) have been proposed as a compromise between white-box and black-box models, aiming to achieve interpretability without sacrificing accuracy. The standard training procedure for CBMs is to predefine a…

Machine Learning · Computer Science 2025-12-05 Jean Feng , Avni Kothari , Luke Zier , Chandan Singh , Yan Shuo Tan

Large language models (LLMs) have achieved impressive results in natural language processing but are prone to memorizing portions of their training data, which can compromise evaluation metrics, raise privacy concerns, and limit…

Machine Learning · Computer Science 2024-12-03 Eduardo Slonski

Neural networks are widely regarded as black-box models, creating significant challenges in understanding their inner workings, especially in natural language processing (NLP) applications. To address this opacity, model explanation…

Computation and Language · Computer Science 2025-01-10 Melkamu Mersha , Mingiziem Bitewa , Tsion Abay , Jugal Kalita

Large Language Models (LLMs) have been shown to achieve breakthrough performance on complex logical reasoning tasks. Nevertheless, most existing research focuses on employing formal language to guide LLMs to derive reliable reasoning paths,…

Computation and Language · Computer Science 2025-05-23 Jin Jiang , Jianing Wang , Yuchen Yan , Yang Liu , Jianhua Zhu , Mengdi Zhang , Xunliang Cai , Liangcai Gao

For human cognitive process, spatial reasoning and perception are closely entangled, yet the nature of this interplay remains underexplored in the evaluation of multimodal large language models (MLLMs). While recent MLLM advancements show…

Computation and Language · Computer Science 2025-08-28 Chengzu Li , Wenshan Wu , Huanyu Zhang , Qingtao Li , Zeyu Gao , Yan Xia , José Hernández-Orallo , Ivan Vulić , Furu Wei

Large language models (LLMs) have demonstrated their remarkable performance across various language understanding tasks. While emerging benchmarks have been proposed to evaluate LLMs in various domains such as mathematics and computer…

Artificial Intelligence · Computer Science 2024-10-28 Junnan Dong , Zijin Hong , Yuanchen Bei , Feiran Huang , Xinrun Wang , Xiao Huang

Large Language Models have shown tremendous performance on a large variety of natural language processing tasks, ranging from text comprehension to common sense reasoning. However, the mechanisms responsible for this success remain opaque,…

Computation and Language · Computer Science 2024-01-04 Gaël Gendron , Qiming Bao , Michael Witbrock , Gillian Dobbie

Large language models (LLMs) exhibit impressive capabilities but struggle with reasoning errors due to hallucinations and flawed logic. To investigate their internal representations of reasoning, we introduce ArrangementPuzzle, a novel…

Artificial Intelligence · Computer Science 2025-03-25 Adam Atanas , Kai Liu

Education is the basic step of understanding the truth and the preparation of the intelligence to reflect. Focused on the rational capacity of the human being the Cognitive process and knowledge dimensions of Revised Blooms Taxonomy helps…

Artificial Intelligence · Computer Science 2021-04-20 Manjushree D. Laddha , Varsha T. Lokare , Arvind W. Kiwelekar , Laxman D. Netak

The advent of Large Language Models (LLMs) has profoundly transformed the paradigms of information retrieval and problem-solving, enabling students to access information acquisition more efficiently to support learning. However, there is…

Information Retrieval · Computer Science 2025-03-26 Yiming Luo , Ting Liu , Patrick Cheong-Iao Pang , Dana McKay , Ziqi Chen , George Buchanan , Shanton Chang

The recent prevalence of pretrained language models (PLMs) has dramatically shifted the paradigm of semantic parsing, where the mapping from natural language utterances to structured logical forms is now formulated as a Seq2Seq task.…

Computation and Language · Computer Science 2022-12-06 Lunyiu Nie , Jiuding Sun , Yanlin Wang , Lun Du , Lei Hou , Juanzi Li , Shi Han , Dongmei Zhang , Jidong Zhai

Large language models (LLMs) achieve impressive results over various tasks, and ever-expanding public repositories contain an abundance of pre-trained models. Therefore, identifying the best-performing LLM for a given task is a significant…

Computation and Language · Computer Science 2025-11-13 Idan Kashani , Avi Mendelson , Yaniv Nemcovsky

There is increasing interest in employing large language models (LLMs) as cognitive models. For such purposes, it is central to understand which properties of human cognition are well-modeled by LLMs, and which are not. In this work, we…

Black-box deep neural networks excel in text classification, yet their application in high-stakes domains is hindered by their lack of interpretability. To address this, we propose Text Bottleneck Models (TBM), an intrinsically…

Computation and Language · Computer Science 2024-04-04 Josh Magnus Ludan , Qing Lyu , Yue Yang , Liam Dugan , Mark Yatskar , Chris Callison-Burch

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Computation and Language · Computer Science 2026-01-22 Baturay Saglam , Paul Kassianik , Blaine Nelson , Sajana Weerawardhena , Yaron Singer , Amin Karbasi

Pretrained transformer-based Language Models (LMs) are well-known for their ability to achieve significant improvement on NLP tasks, but their black-box nature, which leads to a lack of interpretability, has been a major concern. My…

Computation and Language · Computer Science 2024-12-06 Ximing Wen

Large Language Models (LLMs) have not only exhibited exceptional performance across various tasks, but also demonstrated sparks of intelligence. Recent studies have focused on assessing their capabilities on human exams and revealed their…

Computation and Language · Computer Science 2023-10-19 Zheyuan Zhang , Jifan Yu , Juanzi Li , Lei Hou

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…