English
Related papers

Related papers: Concept Bottleneck Language Models For protein des…

200 papers

Recent advances in deep learning have led to increasingly complex models with deeper layers and more parameters, reducing interpretability and making their decisions harder to understand. While many methods explain black-box reasoning, most…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Nuoye Xiong , Anqi Dong , Ning Wang , Cong Hua , Guangming Zhu , Lin Mei , Peiyi Shen , Liang Zhang

Explainable AI (XAI) is crucial for building transparent and trustworthy machine learning systems, especially in high-stakes domains. Concept Bottleneck Models (CBMs) have emerged as a promising ante-hoc approach that provides…

Artificial Intelligence · Computer Science 2026-01-21 Hanwei Zhang , Luo Cheng , Rui Wen , Yang Zhang , Lijun Zhang , Holger Hermanns

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Accurately assessing student knowledge is central to education. Cognitive Diagnosis (CD) models estimate student proficiency at a fixed point in time, while Knowledge Tracing (KT) methods model evolving knowledge states to predict future…

Computation and Language · Computer Science 2026-02-10 Antonin Berthon , Mihaela van der Schaar

We propose cognitive prompting as a novel approach to guide problem-solving in large language models (LLMs) through structured, human-like cognitive operations, such as goal clarification, decomposition, filtering, abstraction, and pattern…

Computation and Language · Computer Science 2024-12-03 Oliver Kramer , Jill Baumann

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Modern AI systems such as self-driving cars and game-playing agents achieve superhuman performance, but often lack human-like generalization, interpretability, and inter-operability with human users. Inspired by the rich interactions…

Machine Learning · Computer Science 2026-02-05 Megha Srivastava , Cedric Colas , Dorsa Sadigh , Jacob Andreas

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

Protein language models (PLMs) face a fundamental divide: masked language models (MLMs) excel at fitness prediction while causal models enable generation, forcing practitioners to maintain separate architectures. We introduce…

Machine Learning · Computer Science 2026-02-03 Furkan Eris

Concept bottleneck models (CBM) aim to improve model interpretability by predicting human level "concepts" in a bottleneck within a deep learning model architecture. However, how the predicted concepts are used in predicting the target…

Machine Learning · Computer Science 2025-04-15 Matthew Shen , Aliyah Hsu , Abhineet Agarwal , Bin Yu

Language Models (LMs) excel in understanding textual descriptions of proteins, as evident in biomedical question-answering tasks. However, their capability falters with raw protein data, such as amino acid sequences, due to a deficit in…

Quantitative Methods · Quantitative Biology 2024-05-22 Zhiyuan Liu , An Zhang , Hao Fei , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Recent concept-based interpretable models have succeeded in providing meaningful explanations by pre-defined concept sets. However, the dependency on the pre-defined concepts restricts the application because of the limited number of…

Artificial Intelligence · Computer Science 2025-02-19 Shin'ya Yamaguchi , Kosuke Nishida

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Concept Bottleneck Models (CBMs) ground image classification on human-understandable concepts to allow for interpretable model decisions. Crucially, the CBM design inherently allows for human interventions, in which expert users are given…

Machine Learning · Computer Science 2024-08-07 Nishad Singhi , Jae Myung Kim , Karsten Roth , Zeynep Akata

Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key…

Machine Learning · Computer Science 2026-02-25 Anna Hart , Chi Han , Jeonghwan Kim , Huimin Zhao , Heng Ji

Concept Bottleneck Models (CBMs) enhance interpretability by predicting human-understandable concepts as intermediate representations. However, existing CBMs often suffer from input-to-concept mapping bias and limited controllability, which…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Gaoxiang Huang , Songning Lai , Yutao Yue

Most biomedical pretrained language models are monolingual and cannot handle the growing cross-lingual requirements. The scarcity of non-English domain corpora, not to mention parallel data, poses a significant hurdle in training…

Computation and Language · Computer Science 2023-11-21 Lei Geng , Xu Yan , Ziqiang Cao , Juntao Li , Wenjie Li , Sujian Li , Xinjie Zhou , Yang Yang , Jun Zhang

Concept Bottleneck Models (CBMs) use a set of human-interpretable concepts to predict the final task label, enabling domain experts to not only validate the CBM's predictions, but also intervene on incorrect concepts at test time. However,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-27 Eric Enouen , Sainyam Galhotra

Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…

Computation and Language · Computer Science 2024-08-12 Nicolo Micheletti , Samuel Belkadi , Lifeng Han , Goran Nenadic

Interpretable machine learning aims to provide transparent models whose decision-making processes can be readily understood by humans. Recent advances in rule-based approaches, such as expressive Boolean formulas (BoolXAI), offer faithful…

Artificial Intelligence · Computer Science 2026-05-13 Du Cheng , Serdar Kadioglu , Xin Wang