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Concept Bottleneck Models (CBMs) and other concept-based interpretable models show great promise for making AI applications more transparent, which is essential in fields like medicine. Despite their success, we demonstrate that CBMs…

Computer Vision and Pattern Recognition · Computer Science 2025-08-01 Jessica Bader , Leander Girrbach , Stephan Alaniz , Zeynep Akata

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Concept Bottleneck Models (CBMs) are interpretable models that predict the target variable through high-level human-understandable concepts, allowing users to intervene on mispredicted concepts to adjust the final output. While recent work…

Machine Learning · Computer Science 2026-03-17 Wiktor Jan Hoffmann , Sonia Laguna , Moritz Vandenhirtz , Emanuele Palumbo , Julia E. Vogt

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

Machine Learning · Computer Science 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

Models based on human-understandable concepts have received extensive attention to improve model interpretability for trustworthy artificial intelligence in the field of medical image analysis. These methods can provide convincing…

Computer Vision and Pattern Recognition · Computer Science 2024-12-25 Hongmei Wang , Junlin Hou , Hao Chen

Developing high-performing, yet interpretable models remains a critical challenge in modern AI. Concept-based models (CBMs) attempt to address this by extracting human-understandable concepts from a global encoding (e.g., image encoding)…

Machine Learning · Computer Science 2025-10-08 David Steinmann , Wolfgang Stammer , Antonia Wüst , Kristian Kersting

The increasing use of neural networks in various applications has lead to increasing apprehensions, underscoring the necessity to understand their operations beyond mere final predictions. As a solution to enhance model transparency,…

Machine Learning · Computer Science 2023-11-21 Ivaxi Sheth , Samira Ebrahimi Kahou

We introduce Chunk-Distilled Language Modeling (CD-LM), an approach to text generation that addresses two challenges in current large language models (LLMs): the inefficiency of token-level generation, and the difficulty of adapting to new…

Computation and Language · Computer Science 2025-01-03 Yanhong Li , Karen Livescu , Jiawei Zhou

The widespread adoption of deep learning models in computer vision has intensified concerns about interpretability. Despite strong performance, these models are often treated as black boxes, with limited systematic investigation of their…

Machine Learning · Computer Science 2026-05-13 Konstantinos P. Panousis , Diego Marcos

Causal Language Modeling (CLM) and Masked Language Modeling (MLM) are two mainstream learning paradigms based on Transformer networks, specifically the Decoder-only and Encoder-only architectures. The strengths of each paradigm in…

Computation and Language · Computer Science 2024-12-05 Xinru Yu , Bin Guo , Shiwei Luo , Jie Wang , Tao Ji , Yuanbin Wu

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Computational cognitive models, which formalize theories of cognition, enable researchers to quantify cognitive processes and arbitrate between competing theories by fitting models to behavioral data. Traditionally, these models are…

Machine Learning · Computer Science 2025-11-10 Milena Rmus , Akshay K. Jagadish , Marvin Mathony , Tobias Ludwig , Eric Schulz

In this paper, we introduce an explainable algorithm designed from a multi-modal foundation model, that performs fast and explainable image classification. Drawing inspiration from CLIP-based Concept Bottleneck Models (CBMs), our method…

Computer Vision and Pattern Recognition · Computer Science 2024-06-03 Rémi Kazmierczak , Eloïse Berthier , Goran Frehse , Gianni Franchi

Generating human language through non-invasive brain-computer interfaces (BCIs) has the potential to unlock many applications, such as serving disabled patients and improving communication. Currently, however, generating language via BCIs…

Computation and Language · Computer Science 2025-11-04 Ziyi Ye , Qingyao Ai , Yiqun Liu , Maarten de Rijke , Min Zhang , Christina Lioma , Tuukka Ruotsalo

Current deep learning models are not designed to simultaneously address three fundamental questions: predict class labels to solve a given classification task (the "What?"), simulate changes in the situation to evaluate how this impacts…

Machine Learning · Computer Science 2025-02-21 Gabriele Dominici , Pietro Barbiero , Francesco Giannini , Martin Gjoreski , Giuseppe Marra , Marc Langheinrich

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular…

Biomolecules · Quantitative Biology 2025-03-14 Zicheng Ma , Chuanliu Fan , Zhicong Wang , Zhenyu Chen , Xiaohan Lin , Yanheng Li , Shihao Feng , Jun Zhang , Ziqiang Cao , Yi Qin Gao

Concept Bottleneck Models (CBMs) enable interpretable image classification by structuring predictions around human-understandable concepts, but extending this paradigm to video remains challenging due to the difficulty of extracting…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Patrick Knab , Sascha Marton , Philipp J. Schubert , Drago Guggiana , Christian Bartelt