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Inferring latent interaction structures from observed dynamics is a fundamental inverse problem in many-body interacting systems. Most neural approaches rely on black-box surrogates over trainable graphs, achieving accuracy at the expense…

Machine Learning · Computer Science 2026-04-15 Xiaoxiao Liang , Juyuan Zhang , Liming Pan , Linyuan Lü

Heterogeneous graph neural networks have become popular in various domains. However, their generalizability and interpretability are limited due to the discrepancy between their inherent inference flows and human reasoning logic or…

Machine Learning · Computer Science 2023-12-12 Tianqianjin Lin , Kaisong Song , Zhuoren Jiang , Yangyang Kang , Weikang Yuan , Xurui Li , Changlong Sun , Cui Huang , Xiaozhong Liu

In science, we are interested not only in forecasting but also in understanding how predictions are made, specifically what the interpretable underlying model looks like. Data-driven machine learning technology can significantly streamline…

Symbolic Computation · Computer Science 2025-05-29 Weiting Liu , Jiaxu Cui , Jiao Hu , En Wang , Bo Yang

Graph Neural Networks (GNNs) have received considerable attention since its introduction. It has been widely applied in various fields due to its ability to represent graph structured data. However, the application of GNNs is constrained by…

Neurons and Cognition · Quantitative Biology 2023-09-20 Yihan Wu , Tao Chang , Peng Xu , Yangsong Zhang

Semantic parses are directed acyclic graphs (DAGs), so semantic parsing should be modeled as graph prediction. But predicting graphs presents difficult technical challenges, so it is simpler and more common to predict the linearized graphs…

Computation and Language · Computer Science 2019-10-22 Federico Fancellu , Sorcha Gilroy , Adam Lopez , Mirella Lapata

Neural network models often generalize poorly to mismatched domains or distributions. In NLP, this issue arises in particular when models are expected to generalize compositionally, that is, to novel combinations of familiar words and…

Computation and Language · Computer Science 2021-11-10 Wang Zhu , Peter Shaw , Tal Linzen , Fei Sha

Textual content around us is growing on a daily basis. Numerous articles are being written as we speak on online newspapers, blogs, or social media. Similarly, recent advances in the AI field, like language models or traditional classic AI…

Computation and Language · Computer Science 2023-07-18 Nicos Isaak

Out-of-distribution (OOD) generalization has gained increasing attentions for learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation with distribution shifts. The challenge is that distribution shifts on…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Fan Nie , Chenxiao Yang , Tianyi Bao , Junchi Yan

Learning the structure of a causal graphical model using both observational and interventional data is a fundamental problem in many scientific fields. A promising direction is continuous optimization for score-based methods, which,…

Machine Learning · Computer Science 2022-02-28 Phillip Lippe , Taco Cohen , Efstratios Gavves

Frame semantic parsing is a semantic analysis task based on FrameNet which has received great attention recently. The task usually involves three subtasks sequentially: (1) target identification, (2) frame classification and (3) semantic…

Computation and Language · Computer Science 2021-09-28 Zhichao Lin , Yueheng Sun , Meishan Zhang

Existing approaches for predictive process monitoring are sub-symbolic, meaning that they learn correlations between descriptive features and a target feature fully based on data, e.g., predicting the surgical needs of a patient based on…

Artificial Intelligence · Computer Science 2026-04-01 Fabrizio De Santis , Gyunam Park , Wil M. P. van der Aalst , Francesco Zanichelli

While concept-based interpretability methods have traditionally focused on local explanations of neural network predictions, we propose a novel framework and interactive tool that extends these methods into the domain of mechanistic…

Machine Learning · Computer Science 2025-07-09 Sofiia Chorna , Kateryna Tarelkina , Eloïse Berthier , Gianni Franchi

Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Different from images, the complex nature of graphs poses…

Machine Learning · Computer Science 2022-10-12 Yongqiang Chen , Yonggang Zhang , Yatao Bian , Han Yang , Kaili Ma , Binghui Xie , Tongliang Liu , Bo Han , James Cheng

Researchers have pursued neurosymbolic artificial intelligence (AI) applications for nearly three decades. A marriage of the neural and symbolic components can lead to rapid advancements in AI. Yet, the field has not realized this promise…

Artificial Intelligence · Computer Science 2026-05-12 Margarita Belova , Jiaxin Xiao , Shikhar Tuli , Niraj K. Jha

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Neural sequence models trained with maximum likelihood estimation have led to breakthroughs in many tasks, where success is defined by the gap between training and test performance. However, their ability to achieve stronger forms of…

Machine Learning · Computer Science 2022-02-25 Sean Welleck , Peter West , Jize Cao , Yejin Choi

Current advances in Artificial Intelligence and machine learning in general, and deep learning in particular have reached unprecedented impact not only across research communities, but also over popular media channels. However, concerns…

Artificial Intelligence · Computer Science 2019-05-16 Artur d'Avila Garcez , Marco Gori , Luis C. Lamb , Luciano Serafini , Michael Spranger , Son N. Tran

Recent advancements in medicine have confirmed that brain disorders often comprise multiple subtypes of mechanisms, developmental trajectories, or severity levels. Such heterogeneity is often associated with demographic aspects (e.g., sex)…

Image and Video Processing · Electrical Eng. & Systems 2024-10-08 Magdalini Paschali , Yu Hang Jiang , Spencer Siegel , Camila Gonzalez , Kilian M. Pohl , Akshay Chaudhari , Qingyu Zhao

Adversarial vulnerability and lack of interpretability are critical limitations of deep neural networks, especially in safety-sensitive settings such as autonomous driving. We introduce \DesignII, a neuro-symbolic framework that integrates…

Machine Learning · Computer Science 2026-01-21 Ali Shafiee Sarvestani , Jason Schmidt , Arman Roohi

Deep neural networks for medical image diagnosis often achieve high predictive accuracy while relying on spurious or clinically irrelevant visual cues, limiting their trustworthiness in practice. Post-hoc explanation methods are widely used…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Zubair Faruqui , Rahul Dubey