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Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

Advances in Large Language Models (LLMs) have led to remarkable capabilities, yet their inner mechanisms remain largely unknown. To understand these models, we need to unravel the functions of individual neurons and their contribution to…

Machine Learning · Computer Science 2023-06-01 Alex Foote , Neel Nanda , Esben Kran , Ioannis Konstas , Shay Cohen , Fazl Barez

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

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation…

Machine Learning · Computer Science 2025-03-06 Yiming Xu , Bin Shi , Zhen Peng , Huixiang Liu , Bo Dong , Chen Chen

Recently, there has been a surge of interest in developing graph neural networks that utilize the invariance principle on graphs to generalize the out-of-distribution (OOD) data. Due to the limited knowledge about OOD data, existing…

Machine Learning · Computer Science 2024-07-17 Tianjun Yao , Yongqiang Chen , Zhenhao Chen , Kai Hu , Zhiqiang Shen , Kun Zhang

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc…

Machine Learning · Computer Science 2024-02-08 Jiahua Rao , Jiancong Xie , Hanjing Lin , Shuangjia Zheng , Zhen Wang , Yuedong Yang

In a regression task, a function is learned from labeled data to predict the labels at new data points. The goal is to achieve small prediction errors. In symbolic regression, the goal is more ambitious, namely, to learn an interpretable…

Machine Learning · Computer Science 2025-06-25 Paul Kahlmeyer , Joachim Giesen , Michael Habeck , Henrik Voigt

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

Probabilistic knowledge graph embeddings represent entities as distributions, using learned variances to quantify epistemic uncertainty. We identify a fundamental limitation: these variances are relation-agnostic, meaning an entity receives…

Machine Learning · Computer Science 2026-01-05 Chorok Lee

The diversity and Zipfian frequency distribution of natural language predicates in corpora leads to sparsity in Entailment Graphs (EGs) built by Open Relation Extraction (ORE). EGs are computationally efficient and explainable models of…

Computation and Language · Computer Science 2023-09-25 Nick McKenna , Tianyi Li , Mark Johnson , Mark Steedman

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to…

Machine Learning · Computer Science 2023-06-21 Ola Ahmad , Nicolas Bereux , Loïc Baret , Vahid Hashemi , Freddy Lecue

Causal analysis helps us understand variables that are responsible for system failures. This improves fault detection and makes system more reliable. In this work, we present a new method that combines causal inference with machine learning…

Systems and Control · Electrical Eng. & Systems 2025-08-05 Karthik Peddi , Sai Ram Aditya Parisineni , Hemanth Macharla , Mayukha Pal

Symbolic regression is a machine learning technique that can learn the governing formulas of data and thus has the potential to transform scientific discovery. However, symbolic regression is still limited in the complexity and…

Machine Learning · Computer Science 2023-05-30 Michael Zhang , Samuel Kim , Peter Y. Lu , Marin Soljačić

Complex networks describe important structures in nature and society, composed of nodes and the edges that connect them. The evolution of these networks is typically described by dynamics, which are labor-intensive and require expert…

Machine Learning · Computer Science 2024-10-16 Haiquan Qiu , Shuzhi Liu , Quanming Yao

The ability of deep neural networks to learn hierarchical features is widely regarded as a key mechanism underlying their success in high-dimensional learning. Existing theory partially supports this view by establishing approximation rates…

Machine Learning · Statistics 2026-05-26 Shuo Huang , Lorenzo Fiorito , Lorenzo Rosasco , Tomaso Poggio

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination…

Social and Information Networks · Computer Science 2023-05-12 Meng Qin

Most semantic parsers that map sentences to graph-based meaning representations are hand-designed for specific graphbanks. We present a compositional neural semantic parser which achieves, for the first time, competitive accuracies across a…

Computation and Language · Computer Science 2019-07-16 Matthias Lindemann , Jonas Groschwitz , Alexander Koller

Semantic parsing is the task of producing a structured meaning representation for natural language utterances or questions. Recent research has pointed out that the commonly-used sequence-to-sequence (seq2seq) semantic parsers struggle to…

Computation and Language · Computer Science 2022-06-06 Dora Jambor , Dzmitry Bahdanau

Symbolic regression is essential for deriving interpretable expressions that elucidate complex phenomena by exposing the underlying mathematical and physical relationships in data. In this paper, we present an advanced symbolic regression…

Machine Learning · Computer Science 2025-03-13 Sikai Huang , Yixin Berry Wen , Tara Adusumilli , Kusum Choudhary , Haizhao Yang

Deep neural networks achieve high accuracy on image classification tasks. Yet, they often produce overconfident predictions as which fail to express epistemic uncertainty, and frequently violate logical or structural constraints present in…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Ezel Kilicdere , Shireen Kudukkil Manchingal , Fabio Cuzzolin
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