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Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large…

Machine Learning · Computer Science 2025-10-23 Tung Nguyen , Aditya Grover

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

We present Thinking with Generated Images, a novel paradigm that fundamentally transforms how large multimodal models (LMMs) engage with visual reasoning by enabling them to natively think across text and vision modalities through…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Ethan Chern , Zhulin Hu , Steffi Chern , Siqi Kou , Jiadi Su , Yan Ma , Zhijie Deng , Pengfei Liu

The rapid development of Artificial Intelligence (AI) has revolutionized numerous fields, with large language models (LLMs) and computer vision (CV) systems driving advancements in natural language understanding and visual processing,…

Computation and Language · Computer Science 2024-12-04 Yunkai Dang , Kaichen Huang , Jiahao Huo , Yibo Yan , Sirui Huang , Dongrui Liu , Mengxi Gao , Jie Zhang , Chen Qian , Kun Wang , Yong Liu , Jing Shao , Hui Xiong , Xuming Hu

Motivation: Phenotype concept recognition (CR) is a fundamental task in biomedical text mining. However, existing methods either require ontology-specific training, making them struggle to generalize across diverse text styles and evolving…

Computation and Language · Computer Science 2026-04-06 Yicheng Tao , Yuanhao Huang , Yiqun Wang , Xin Luo , Jie Liu

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

A drug molecule is a substance that changes the organism's mental or physical state. Every approved drug has an indication, which refers to the therapeutic use of that drug for treating a particular medical condition. While the Large…

Artificial Intelligence · Computer Science 2024-02-20 David Oniani , Jordan Hilsman , Chengxi Zang , Junmei Wang , Lianjin Cai , Jan Zawala , Yanshan Wang

The continued success of Large Language Models (LLMs) and other generative artificial intelligence approaches highlights the advantages that large information corpora can have over rigidly defined symbolic models, but also serves as a…

This paper introduces a novel approach for identifying the possible large language models (LLMs) involved in text generation. Instead of adding an additional classification layer to a base LM, we reframe the classification task as a…

Computation and Language · Computer Science 2024-02-08 Yutian Chen , Hao Kang , Vivian Zhai , Liangze Li , Rita Singh , Bhiksha Raj

Concept Bottleneck Models (CBMs) provide explicit interpretations for deep neural networks through concepts and allow intervention with concepts to adjust final predictions. Existing CBMs assume concepts are conditionally independent given…

Machine Learning · Computer Science 2026-05-04 Haotian Xu , Tsui-Wei Weng , Lam M. Nguyen , Tengfei Ma

Automated planning is concerned with developing efficient algorithms to generate plans or sequences of actions to achieve a specific goal in a given environment. Emerging Large Language Models (LLMs) can answer questions, write high-quality…

This position paper argues that large language models (LLMs) can make cultural context, and therefore human meaning, legible at an unprecedented scale in AI-based sociotechnical systems. We argue that such systems have previously been…

Computation and Language · Computer Science 2026-01-28 Cody Kommers , Drew Hemment , Maria Antoniak , Joel Z. Leibo , Hoyt Long , Emily Robinson , Adam Sobey

Our study demonstrates the effective use of Large Language Models (LLMs) for automating the classification of complex datasets. We specifically target proposals of Decentralized Autonomous Organizations (DAOs), as the clas-sification of…

Computers and Society · Computer Science 2024-07-04 Christian Ziegler , Marcos Miranda , Guangye Cao , Gustav Arentoft , Doo Wan Nam

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

With powerful large language models (LLMs) demonstrating superhuman reasoning capabilities, a critical question arises: Do LLMs genuinely reason, or do they merely recall answers from their extensive, web-scraped training datasets? Publicly…

Computation and Language · Computer Science 2025-04-28 Haowei Lin , Xiangyu Wang , Ruilin Yan , Baizhou Huang , Haotian Ye , Jianhua Zhu , Zihao Wang , James Zou , Jianzhu Ma , Yitao Liang

Protein language models (PLMs) encode rich biological information, yet their internal neuron representations are poorly understood. We introduce the first automated framework for labeling every neuron in a PLM with biologically grounded…

Machine Learning · Computer Science 2025-07-10 Arjun Banerjee , David Martinez , Camille Dang , Ethan Tam

Chain-of-thought prompting significantly boosts the reasoning ability of large language models but still faces three issues: hallucination problem, restricted interpretability, and uncontrollable generation. To address these challenges, we…

Computation and Language · Computer Science 2024-09-20 Chen Liang , Zhifan Feng , Zihe Liu , Wenbin Jiang , Jinan Xu , Yufeng Chen , Yong Wang

(Renyi Qu's Master's Thesis) Recent advancements in interpretable models for vision-language tasks have achieved competitive performance; however, their interpretability often suffers due to the reliance on unstructured text outputs from…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Renyi Qu , Mark Yatskar

Large language models (LLMs) offer new opportunities for constructing knowledge graphs (KGs) from unstructured clinical narratives. However, existing approaches often rely on structured inputs and lack robust validation of factual accuracy…

Artificial Intelligence · Computer Science 2026-01-06 Udiptaman Das , Krishnasai B. Atmakuri , Duy Ho , Chi Lee , Yugyung Lee

Concept Bottleneck Models (CBMs) enhance the interpretability of neural networks by basing predictions on human-understandable concepts. However, current CBMs typically rely on concept sets extracted from large language models or extensive…

Computer Vision and Pattern Recognition · Computer Science 2025-07-03 Katharina Prasse , Patrick Knab , Sascha Marton , Christian Bartelt , Margret Keuper