429 research outputs found

    Automatic & Semi-Automatic Methods for Supporting Ontology Change

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    Payment Rules through Discriminant-Based Classifiers

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    In mechanism design it is typical to impose incentive compatibility and then derive an optimal mechanism subject to this constraint. By replacing the incentive compatibility requirement with the goal of minimizing expected ex post regret, we are able to adapt statistical machine learning techniques to the design of payment rules. This computational approach to mechanism design is applicable to domains with multi-dimensional types and situations where computational efficiency is a concern. Specifically, given an outcome rule and access to a type distribution, we train a support vector machine with a special discriminant function structure such that it implicitly establishes a payment rule with desirable incentive properties. We discuss applications to a multi-minded combinatorial auction with a greedy winner-determination algorithm and to an assignment problem with egalitarian outcome rule. Experimental results demonstrate both that the construction produces payment rules with low ex post regret, and that penalizing classification errors is effective in preventing failures of ex post individual rationality

    Taxonomy of datasets in graph learning : a data-driven approach to improve GNN benchmarking

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    The core research of this thesis, mostly comprising chapter four, has been accepted to the Learning on Graphs (LoG) 2022 conference for a spotlight presentation as a standalone paper, under the title "Taxonomy of Benchmarks in Graph Representation Learning", and is to be published in the Proceedings of Machine Learning Research (PMLR) series. As a main author of the paper, my specific contributions to this paper cover problem formulation, design and implementation of our taxonomy framework and experimental pipeline, collation of our results and of course the writing of the article.L'apprentissage profond sur les graphes a atteint des niveaux de succès sans précédent ces dernières années grâce aux réseaux de neurones de graphes (GNN), des architectures de réseaux de neurones spécialisées qui ont sans équivoque surpassé les approches antérieurs d'apprentissage définies sur des graphes. Les GNN étendent le succès des réseaux de neurones aux données structurées en graphes en tenant compte de leur géométrie intrinsèque. Bien que des recherches approfondies aient été effectuées sur le développement de GNN avec des performances supérieures à celles des modèles références d'apprentissage de représentation graphique, les procédures d'analyse comparative actuelles sont insuffisantes pour fournir des évaluations justes et efficaces des modèles GNN. Le problème peut-être le plus répandu et en même temps le moins compris en ce qui concerne l'analyse comparative des graphiques est la "couverture de domaine": malgré le nombre croissant d'ensembles de données graphiques disponibles, la plupart d'entre eux ne fournissent pas d'informations supplémentaires et au contraire renforcent les biais potentiellement nuisibles dans le développement d’un modèle GNN. Ce problème provient d'un manque de compréhension en ce qui concerne les aspects d'un modèle donné qui sont sondés par les ensembles de données de graphes. Par exemple, dans quelle mesure testent-ils la capacité d'un modèle à tirer parti de la structure du graphe par rapport aux fonctionnalités des nœuds? Ici, nous développons une approche fondée sur des principes pour taxonomiser les ensembles de données d'analyse comparative selon un "profil de sensibilité" qui est basé sur la quantité de changement de performance du GNN en raison d'une collection de perturbations graphiques. Notre analyse basée sur les données permet de mieux comprendre quelles caractéristiques des données de référence sont exploitées par les GNN. Par conséquent, notre taxonomie peut aider à la sélection et au développement de repères graphiques adéquats et à une évaluation mieux informée des futures méthodes GNN. Enfin, notre approche et notre implémentation dans le package GTaxoGym (https://github.com/G-Taxonomy-Workgroup/GTaxoGym) sont extensibles à plusieurs types de tâches de prédiction de graphes et à des futurs ensembles de données.Deep learning on graphs has attained unprecedented levels of success in recent years thanks to Graph Neural Networks (GNNs), specialized neural network architectures that have unequivocally surpassed prior graph learning approaches. GNNs extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNNs with superior performance according to a collection of graph representation learning benchmarks, current benchmarking procedures are insufficient to provide fair and effective evaluations of GNN models. Perhaps the most prevalent and at the same time least understood problem with respect to graph benchmarking is "domain coverage": Despite the growing number of available graph datasets, most of them do not provide additional insights and on the contrary reinforce potentially harmful biases in GNN model development. This problem stems from a lack of understanding with respect to what aspects of a given model are probed by graph datasets. For example, to what extent do they test the ability of a model to leverage graph structure vs. node features? Here, we develop a principled approach to taxonomize benchmarking datasets according to a "sensitivity profile" that is based on how much GNN performance changes due to a collection of graph perturbations. Our data-driven analysis provides a deeper understanding of which benchmarking data characteristics are leveraged by GNNs. Consequently, our taxonomy can aid in selection and development of adequate graph benchmarks, and better informed evaluation of future GNN methods. Finally, our approach and implementation in the GTaxoGym package (https://github.com/G-Taxonomy-Workgroup/GTaxoGym) are extendable to multiple graph prediction task types and future datasets

    Multi-Instance Multi-Label Learning

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    In this paper, we propose the MIML (Multi-Instance Multi-Label learning) framework where an example is described by multiple instances and associated with multiple class labels. Compared to traditional learning frameworks, the MIML framework is more convenient and natural for representing complicated objects which have multiple semantic meanings. To learn from MIML examples, we propose the MimlBoost and MimlSvm algorithms based on a simple degeneration strategy, and experiments show that solving problems involving complicated objects with multiple semantic meanings in the MIML framework can lead to good performance. Considering that the degeneration process may lose information, we propose the D-MimlSvm algorithm which tackles MIML problems directly in a regularization framework. Moreover, we show that even when we do not have access to the real objects and thus cannot capture more information from real objects by using the MIML representation, MIML is still useful. We propose the InsDif and SubCod algorithms. InsDif works by transforming single-instances into the MIML representation for learning, while SubCod works by transforming single-label examples into the MIML representation for learning. Experiments show that in some tasks they are able to achieve better performance than learning the single-instances or single-label examples directly.Comment: 64 pages, 10 figures; Artificial Intelligence, 201

    Graph kernels based on tree patterns for molecules

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    Motivated by chemical applications, we revisit and extend a family of positive definite kernels for graphs based on the detection of common subtrees, initially proposed by Ramon et al. (2003). We propose new kernels with a parameter to control the complexity of the subtrees used as features to represent the graphs. This parameter allows to smoothly interpolate between classical graph kernels based on the count of common walks, on the one hand, and kernels that emphasize the detection of large common subtrees, on the other hand. We also propose two modular extensions to this formulation. The first extension increases the number of subtrees that define the feature space, and the second one removes noisy features from the graph representations. We validate experimentally these new kernels on binary classification tasks consisting in discriminating toxic and non-toxic molecules with support vector machines
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