KAGNNs: Kolmogorov-Arnold Networks meet Graph Learning

In recent years, Graph Neural Networks (GNNs) have become the de facto tool for learning node and graph representations. Most GNNs typically consist of a sequence of neighborhood aggregation (a.k.a., message passing) layers. Within each of these layers, the representation of each node is updated from an aggregation and transformation of its neighbours representations at the previous layer. The upper bound for the expressive power of message passing GNNs was reached through the use of MLPs as a transformation, due to their universal approximation capabilities. However, MLPs suffer from well-known limitations, which recently motivated the introduction of Kolmogorov-Arnold Networks (KANs). KANs rely on the Kolmogorov-Arnold representation theorem, rendering them a promising alternative to MLPs. In this work, we compare the performance of KANs against that of MLPs in graph learning tasks. We perform extensive experiments on node classification, graph classification and graph regression datasets. Our preliminary results indicate that while KANs are on-par with MLPs in classification tasks, they seem to have a clear advantage in the graph regression tasks.

Geometric Self-Supervised Pretraining on 3D Protein Structures using Subgraphs

Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by leveraging the vast amount of protein sequence data in a self-supervised way, there is still a gap in applying these methods to 3D protein structures. In this work, we propose a pre-training scheme going beyond trivial masking methods leveraging 3D and hierarchical structures of proteins. We propose a novel self-supervised method to pretrain 3D graph neural networks on 3D protein structures, by predicting the distances between local geometric centroids of protein subgraphs and the global geometric centroid of the protein. The motivation for this method is twofold. First, the relative spatial arrangements and geometric relationships among different regions of a protein are crucial for its function. Moreover, proteins are often organized in a hierarchical manner, where smaller substructures, such as secondary structure elements, assemble into larger domains. By considering subgraphs and their relationships to the global protein structure, the model can learn to reason about these hierarchical levels of organization. We experimentally show that our proposed pertaining strategy leads to significant improvements in the performance of 3D GNNs in various protein classification tasks.

Explaining Predictions by Characteristic Rules

Characteristic rules have been advocated for their ability to improve interpretability over discriminative rules within the area of rule learning. However, the former type of rule has not yet been used by techniques for explaining predictions. A novel explanation technique, called CEGA (Characteristic Explanatory General Association rules), is proposed, which employs association rule mining to aggregate multiple explanations generated by any standard local explanation technique into a set of characteristic rules. An empirical investigation is presented, in which CEGA is compared to two state-of-the-art methods, Anchors and GLocalX, for producing local and aggregated explanations in the form of discriminative rules. The results suggest that the proposed approach provides a better trade-off between fidelity and complexity compared to the two state-of-the-art approaches; CEGA and Anchors significantly outperform GLocalX with respect to fidelity, while CEGA and GLocalX significantly outperform Anchors with respect to the number of generated rules. The effect of changing the format of the explanations of CEGA to discriminative rules and using LIME and SHAP as local explanation techniques instead of Anchors are also investigated. The results show that the characteristic explanatory rules still compete favorably with rules in the standard discriminative format. The results also indicate that using CEGA in combination with either SHAP or Anchors consistently leads to a higher fidelity compared to using LIME as the local explanation technique.

Leveraging Discourse Structure for Extractive Meeting Summarization

We introduce an extractive summarization system for meetings that leverages discourse structure to better identify salient information from complex multi-party discussions. Using discourse graphs to represent semantic relations between the contents of utterances in a meeting, we train a GNN-based node classification model to select the most important utterances, which are then combined to create an extractive summary. Experimental results on AMI and ICSI demonstrate that our approach surpasses existing text-based and graph-based extractive summarization systems, as measured by both classification and summarization metrics. Additionally, we conduct ablation studies on discourse structure and relation type to provide insights for future NLP applications leveraging discourse analysis theory.

Bounding the Expected Robustness of Graph Neural Networks Subject to Node Feature Attacks

Graph Neural Networks (GNNs) have demonstrated state-of-the-art performance in various graph representation learning tasks. Recently, studies revealed their vulnerability to adversarial attacks. In this work, we theoretically define the concept of expected robustness in the context of attributed graphs and relate it to the classical definition of adversarial robustness in the graph representation learning literature. Our definition allows us to derive an upper bound of the expected robustness of Graph Convolutional Networks (GCNs) and Graph Isomorphism Networks subject to node feature attacks. Building on these findings, we connect the expected robustness of GNNs to the orthonormality of their weight matrices and consequently propose an attack-independent, more robust variant of the GCN, called the Graph Convolutional Orthonormal Robust Networks (GCORNs). We further introduce a probabilistic method to estimate the expected robustness, which allows us to evaluate the effectiveness of GCORN on several real-world datasets. Experimental experiments showed that GCORN outperforms available defense methods. Our code is publicly available at: \href{https://github.com/Sennadir/GCORN}{https://github.com/Sennadir/GCORN}.

Neural Graph Generator: Feature-Conditioned Graph Generation using Latent Diffusion Models

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they struggle with the high-dimensional complexity and varied nature of graph properties. In this paper, we introduce the Neural Graph Generator (NGG), a novel approach which utilizes conditioned latent diffusion models for graph generation. NGG demonstrates a remarkable capacity to model complex graph patterns, offering control over the graph generation process. NGG employs a variational graph autoencoder for graph compression and a diffusion process in the latent vector space, guided by vectors summarizing graph statistics. We demonstrate NGG's versatility across various graph generation tasks, showing its capability to capture desired graph properties and generalize to unseen graphs. This work signifies a significant shift in graph generation methodologies, offering a more practical and efficient solution for generating diverse types of graphs with specific characteristics.

A Simple and Yet Fairly Effective Defense for Graph Neural Networks

Graph Neural Networks (GNNs) have emerged as the dominant approach for machine learning on graph-structured data. However, concerns have arisen regarding the vulnerability of GNNs to small adversarial perturbations. Existing defense methods against such perturbations suffer from high time complexity and can negatively impact the model's performance on clean graphs. To address these challenges, this paper introduces NoisyGNNs, a novel defense method that incorporates noise into the underlying model's architecture. We establish a theoretical connection between noise injection and the enhancement of GNN robustness, highlighting the effectiveness of our approach. We further conduct extensive empirical evaluations on the node classification task to validate our theoretical findings, focusing on two popular GNNs: the GCN and GIN. The results demonstrate that NoisyGNN achieves superior or comparable defense performance to existing methods while minimizing added time complexity. The NoisyGNN approach is model-agnostic, allowing it to be integrated with different GNN architectures. Successful combinations of our NoisyGNN approach with existing defense techniques demonstrate even further improved adversarial defense results. Our code is publicly available at: https://github.com/Sennadir/NoisyGNN.

Graph Neural Machine: A New Model for Learning with Tabular Data

In recent years, there has been a growing interest in mapping data from different domains to graph structures. Among others, neural network models such as the multi-layer perceptron (MLP) can be modeled as graphs. In fact, MLPs can be represented as directed acyclic graphs. Graph neural networks (GNNs) have recently become the standard tool for performing machine learning tasks on graphs. In this work, we show that an MLP is equivalent to an asynchronous message passing GNN model which operates on the MLP's graph representation. We then propose a new machine learning model for tabular data, the so-called Graph Neural Machine (GNM), which replaces the MLP's directed acyclic graph with a nearly complete graph and which employs a synchronous message passing scheme. We show that a single GNM model can simulate multiple MLP models. We evaluate the proposed model in several classification and regression datasets. In most cases, the GNM model outperforms the MLP architecture.

FREDSum: A Dialogue Summarization Corpus for French Political Debates

Recent advances in deep learning, and especially the invention of encoder-decoder architectures, has significantly improved the performance of abstractive summarization systems. The majority of research has focused on written documents, however, neglecting the problem of multi-party dialogue summarization. In this paper, we present a dataset of French political debates for the purpose of enhancing resources for multi-lingual dialogue summarization. Our dataset consists of manually transcribed and annotated political debates, covering a range of topics and perspectives. We highlight the importance of high quality transcription and annotations for training accurate and effective dialogue summarization models, and emphasize the need for multilingual resources to support dialogue summarization in non-English languages. We also provide baseline experiments using state-of-the-art methods, and encourage further research in this area to advance the field of dialogue summarization. Our dataset will be made publicly available for use by the research community.

Heuristics for Detecting CoinJoin Transactions on the Bitcoin Blockchain

This research delves into the intricacies of Bitcoin, a decentralized peer-to-peer network, and its associated blockchain, which records all transactions since its inception. While this ensures integrity and transparency, the transparent nature of Bitcoin potentially compromises users' privacy rights. To address this concern, users have adopted CoinJoin, a method that amalgamates multiple transaction intents into a single, larger transaction to bolster transactional privacy. This process complicates individual transaction tracing and disrupts many established blockchain analysis heuristics. Despite its significance, limited research has been conducted on identifying CoinJoin transactions. Particularly noteworthy are varied CoinJoin implementations such as JoinMarket, Wasabi, and Whirlpool, each presenting distinct challenges due to their unique transaction structures. This study delves deeply into the open-source implementations of these protocols, aiming to develop refined heuristics for identifying their transactions on the blockchain. Our exhaustive analysis covers transactions up to block 760,000, offering a comprehensive insight into CoinJoin transactions and their implications for Bitcoin blockchain analysis.