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Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which…

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

Motivated by interpretability and reliability, we investigate whether large language models (LLMs) deploy universal geometric structures to encode discrete, graph-structured knowledge. To this end, we present two complementary experimental…

Machine Learning · Computer Science 2025-11-25 David D. Baek , Yuxiao Li , Max Tegmark

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

A barrier to the wider adoption of neural networks is their lack of interpretability. While local explanation methods exist for one prediction, most global attributions still reduce neural network decisions to a single set of features. In…

Machine Learning · Computer Science 2019-02-08 Mark Ibrahim , Melissa Louie , Ceena Modarres , John Paisley

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

Machine Learning · Computer Science 2023-03-10 Han Xuanyuan , Pietro Barbiero , Dobrik Georgiev , Lucie Charlotte Magister , Pietro Lió

Convolutional neural networks (CNNs) have achieved superior accuracy in many visual related tasks. However, the inference process through intermediate layers is opaque, making it difficult to interpret such networks or develop trust in…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Yael Konforti , Alon Shpigler , Boaz Lernerand Aharon Bar-Hillel

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

Machine Learning · Computer Science 2025-10-14 Maya Bechler-Speicher , Amir Globerson , Ran Gilad-Bachrach

Despite the increasing relevance of explainable AI, assessing the quality of explanations remains a challenging issue. Due to the high costs associated with human-subject experiments, various proxy metrics are often used to approximately…

Machine Learning · Computer Science 2024-02-20 Jonas Teufel , Luca Torresi , Pascal Friederich

Unsupervised learning allows us to leverage unlabelled data, which has become abundantly available, and to create embeddings that are usable on a variety of downstream tasks. However, the typical lack of interpretability of unsupervised…

Machine Learning · Computer Science 2023-09-29 Gregory Scafarto , Madalina Ciortan , Simon Tihon , Quentin Ferre

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

With the growing popularity of artificial intelligence used for scientific applications, the ability of attribute a result to a reasoning process from the network is in high demand for robust scientific generalizations to hold. In this work…

High Energy Physics - Experiment · Physics 2025-09-18 Margaret Voetberg , Vitor F. Grizzi , Giuseppe Cerati , Hadi Meidani , V Hewes

An essential goal in mechanistic interpretability to decode a network, i.e., to convert a neural network's raw weights to an interpretable algorithm. Given the difficulty of the decoding problem, progress has been made to understand the…

Machine Learning · Computer Science 2023-12-07 Isaac Liao , Ziming Liu , Max Tegmark

Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

Quantitative Methods · Quantitative Biology 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

Explaining Graph Neural Networks predictions to end users of AI applications in easily understandable terms remains an unsolved problem. In particular, we do not have well developed methods for automatically evaluating explanations, in ways…

Artificial Intelligence · Computer Science 2021-06-23 Vanya BK , Balaji Ganesan , Aniket Saxena , Devbrat Sharma , Arvind Agarwal

Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation…

Machine Learning · Computer Science 2024-08-14 Amr Alkhatib , Sofiane Ennadir , Henrik Boström , Michalis Vazirgiannis

While a real-world research program in mathematics may be guided by a motivating question, the process of mathematical discovery is typically open-ended. Ideally, exploration needed to answer the original question will reveal new…

Machine Learning · Computer Science 2026-01-30 Henry Kvinge , Andrew Aguilar , Nayda Farnsworth , Grace O'Brien , Robert Jasper , Sarah Scullen , Helen Jenne

Real artificial intelligence always has been focused on by many machine learning researchers, especially in the area of deep learning. However deep neural network is hard to be understood and explained, and sometimes, even metaphysics. The…

Machine Learning · Computer Science 2019-10-22 Jinwei Zhao , Qizhou Wang , Fuqiang Zhang , Wanli Qiu , Yufei Wang , Yu Liu , Guo Xie , Weigang Ma , Bin Wang , Xinhong Hei

Providing explanations for deep neural networks (DNNs) is essential for their use in domains wherein the interpretability of decisions is a critical prerequisite. Despite the plethora of work on interpreting DNNs, most existing solutions…

Machine Learning · Computer Science 2021-01-26 Xinyang Zhang , Ren Pang , Shouling Ji , Fenglong Ma , Ting Wang

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos
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