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We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

Machine Learning · Computer Science 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Recent advances in graph neural networks (GNNs) have shown great…

Machine Learning · Computer Science 2022-05-17 Xiaomin Fang , Lihang Liu , Jieqiong Lei , Donglong He , Shanzhuo Zhang , Jingbo Zhou , Fan Wang , Hua Wu , Haifeng Wang

Graph Structure Learning (GSL) focuses on capturing intrinsic dependencies and interactions among nodes in graph-structured data by generating novel graph structures. Graph Neural Networks (GNNs) have emerged as promising GSL solutions,…

Machine Learning · Computer Science 2025-03-11 Zirui Guo , Lianghao Xia , Yanhua Yu , Yuling Wang , Kangkang Lu , Zhiyong Huang , Chao Huang

Phrase-based statistical machine translation (SMT) systems have previously been used for the task of grammatical error correction (GEC) to achieve state-of-the-art accuracy. The superiority of SMT systems comes from their ability to learn…

Computation and Language · Computer Science 2016-06-02 Shamil Chollampatt , Kaveh Taghipour , Hwee Tou Ng

Link prediction is a fundamental problem in many graph based applications, such as protein-protein interaction prediction. Graph neural network (GNN) has recently been widely used for link prediction. However, existing GNN based link…

Machine Learning · Computer Science 2023-03-02 Kai-Lang Yao , Wu-Jun Li

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed…

Machine Learning · Computer Science 2021-06-14 Luca Biggio , Tommaso Bendinelli , Alexander Neitz , Aurelien Lucchi , Giambattista Parascandolo

Neuro-encoded expression programming(NEEP) that aims to offer a novel continuous representation of combinatorial encoding for genetic programming methods is proposed in this paper. Genetic programming with linear representation uses…

Neural and Evolutionary Computing · Computer Science 2021-04-12 Aftab Anjum , Fengyang Sun , Lin Wang , Jeff Orchard

Graph convolutional networks (GCNs) allow us to learn topologically-aware node embeddings, which can be useful for classification or link prediction. However, they are unable to capture long-range dependencies between nodes without adding…

Machine Learning · Computer Science 2023-08-17 Reza Namazi , Elahe Ghalebi , Sinead Williamson , Hamidreza Mahyar

Data-driven methods are widely used to develop physical models, but there still exist limitations that affect their performance, generalizability and robustness. By combining gene expression programming (GEP) with artificial neural network…

Computational Physics · Physics 2023-01-19 Haochen Li , Fabian Waschkowski , Yaomin Zhao , Richard D. Sandberg

Message passing graph neural networks (GNNs) are known to have their expressiveness upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) algorithm. To achieve more powerful GNNs, existing attempts either require ad hoc features, or…

Machine Learning · Computer Science 2024-01-24 Meng Liu , Haiyang Yu , Shuiwang Ji

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

We present a neural network-based method for solving linear and nonlinear partial differential equations, by combining the ideas of extreme learning machines (ELM), domain decomposition and local neural networks. The field solution on each…

Numerical Analysis · Mathematics 2021-09-22 Suchuan Dong , Zongwei Li

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

We propose Modal Logical Neural Networks (MLNNs), a neurosymbolic framework that integrates deep learning with the formal semantics of modal logic, enabling reasoning about necessity and possibility. Drawing on Kripke semantics, we…

Machine Learning · Computer Science 2026-02-13 Antonin Sulc

Deep reinforcement learning (RL) methods often require many trials before convergence, and no direct interpretability of trained policies is provided. In order to achieve fast convergence and interpretability for the policy in RL, we…

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

Machine Learning · Computer Science 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He

Rule learning is critical to improving knowledge graph (KG) reasoning due to their ability to provide logical and interpretable explanations. Recently, Graph Neural Networks (GNNs) with tail entity scoring achieve the state-of-the-art…

Machine Learning · Computer Science 2024-04-11 Haiquan Qiu , Yongqi Zhang , Yong Li , Quanming Yao

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

This paper introduces a novel Transitional Dictionary Learning (TDL) framework that can implicitly learn symbolic knowledge, such as visual parts and relations, by reconstructing the input as a combination of parts with implicit relations.…

Artificial Intelligence · Computer Science 2025-03-19 Junyan Cheng , Peter Chin
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