Sequential recommender systems (SRS) have gained widespread popularity in recommendation due to their ability to effectively capture dynamic user preferences. One default setting in the current SRS is to uniformly consider each historical behavior as a positive interaction. Actually, this setting has the potential to yield sub-optimal performance, as each item makes a distinct contribution to the user's interest. For example, purchased items should be given more importance than clicked ones. Hence, we propose a general automatic sampling framework, named AutoSAM, to non-uniformly treat historical behaviors. Specifically, AutoSAM augments the standard sequential recommendation architecture with an additional sampler layer to adaptively learn the skew distribution of the raw input, and then sample informative sub-sets to build more generalizable SRS. To overcome the challenges of non-differentiable sampling actions and also introduce multiple decision factors for sampling, we further introduce a novel reinforcement learning based method to guide the training of the sampler. We theoretically design multi-objective sampling rewards including Future Prediction and Sequence Perplexity, and then optimize the whole framework in an end-to-end manner by combining the policy gradient. We conduct extensive experiments on benchmark recommender models and four real-world datasets. The experimental results demonstrate the effectiveness of the proposed approach. We will make our code publicly available after the acceptance.
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Temporal facts, which are used to describe events that occur during specific time periods, have become a topic of increased interest in the field of knowledge graph (KG) research. In terms of quality management, the introduction of time restrictions brings new challenges to maintaining the temporal consistency of KGs. Previous studies rely on manually enumerated temporal constraints to detect conflicts, which are labor-intensive and may have granularity issues. To address this problem, we start from the common pattern of temporal facts and propose a pattern-based temporal constraint mining method, PaTeCon. Unlike previous studies, PaTeCon uses graph patterns and statistical information relevant to the given KG to automatically generate temporal constraints, without the need for human experts. In this paper, we illustrate how this method can be optimized to achieve significant speed improvement. We also annotate Wikidata and Freebase to build two new benchmarks for conflict detection. Extensive experiments demonstrate that our pattern-based automatic constraint mining approach is highly effective in generating valuable temporal constraints.
We present a result according to which certain functions of covariance matrices are maximized at scalar multiples of the identity matrix. This is used to show that experimental designs that are optimal under an assumption of independent, homoscedastic responses can be minimax robust, in broad classes of alternate covariance structures. In particular it can justify the common practice of disregarding possible dependence, or heteroscedasticity, at the design stage of an experiment.
Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively expensive. In order to save computational cost, one can construct surrogate models by expressing the system in a low-dimensional basis, obtained from training data. This is referred to as model reduction. Past investigations have shown that, when performing model reduction of Hamiltonian systems, it is crucial to preserve the symplectic structure associated with the system in order to ensure long-term numerical stability. Up to this point structure-preserving reductions have largely been limited to linear transformations. We propose a new neural network architecture in the spirit of autoencoders, which are established tools for dimension reduction and feature extraction in data science, to obtain more general mappings. In order to train the network, a non-standard gradient descent approach is applied that leverages the differential-geometric structure emerging from the network design. The new architecture is shown to significantly outperform existing designs in accuracy.
Many functions characterising physical systems are additively separable. This is the case, for instance, of mechanical Hamiltonian functions in physics, population growth equations in biology, and consumer preference and utility functions in economics. We consider the scenario in which a surrogate of a function is to be tested for additive separability. The detection that the surrogate is additively separable can be leveraged to improve further learning. Hence, it is beneficial to have the ability to test for such separability in surrogates. The mathematical approach is to test if the mixed partial derivative of the surrogate is zero; or empirically, lower than a threshold. We present and comparatively and empirically evaluate the eight methods to compute the mixed partial derivative of a surrogate function.
Distinguishing the cause and effect from bivariate observational data is the foundational problem that finds applications in many scientific disciplines. One solution to this problem is assuming that cause and effect are generated from a structural causal model, enabling identification of the causal direction after estimating the model in each direction. The heteroscedastic noise model is a type of structural causal model where the cause can contribute to both the mean and variance of the noise. Current methods for estimating heteroscedastic noise models choose the Gaussian likelihood as the optimization objective which can be suboptimal and unstable when the data has a non-Gaussian distribution. To address this limitation, we propose a novel approach to estimating this model with Student's $t$-distribution, which is known for its robustness in accounting for sampling variability with smaller sample sizes and extreme values without significantly altering the overall distribution shape. This adaptability is beneficial for capturing the parameters of the noise distribution in heteroscedastic noise models. Our empirical evaluations demonstrate that our estimators are more robust and achieve better overall performance across synthetic and real benchmarks.
As artificial intelligence (AI) models continue to scale up, they are becoming more capable and integrated into various forms of decision-making systems. For models involved in moral decision-making, also known as artificial moral agents (AMA), interpretability provides a way to trust and understand the agent's internal reasoning mechanisms for effective use and error correction. In this paper, we provide an overview of this rapidly-evolving sub-field of AI interpretability, introduce the concept of the Minimum Level of Interpretability (MLI) and recommend an MLI for various types of agents, to aid their safe deployment in real-world settings.
Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.
Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
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