GLEMOS: Benchmark for Instantaneous Graph Learning Model Selection

The choice of a graph learning (GL) model (i.e., a GL algorithm and its hyperparameter settings) has a significant impact on the performance of downstream tasks. However, selecting the right GL model becomes increasingly difficult and time consuming as more and more GL models are developed. Accordingly, it is of great significance and practical value to equip users of GL with the ability to perform a near-instantaneous selection of an effective GL model without manual intervention. Despite the recent attempts to tackle this important problem, there has been no comprehensive benchmark environment to evaluate the performance of GL model selection methods. To bridge this gap, we present GLEMOS in this work, a comprehensive benchmark for instantaneous GL model selection that makes the following contributions. (i) GLEMOS provides extensive benchmark data for fundamental GL tasks, i.e., link prediction and node classification, including the performances of 366 models on 457 graphs on these tasks. (ii) GLEMOS designs multiple evaluation settings, and assesses how effectively representative model selection techniques perform in these different settings. (iii) GLEMOS is designed to be easily extended with new models, new graphs, and new performance records. (iv) Based on the experimental results, we discuss the limitations of existing approaches and highlight future research directions. To promote research on this significant problem, we make the benchmark data and code publicly available at https://github.com/facebookresearch/glemos.

Forward Learning of Graph Neural Networks

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

Leveraging Graph Diffusion Models for Network Refinement Tasks

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive generative capabilities that have been used to correct corruptions in images, and the similarities between "in-painting" and filling in missing nodes and edges conditioned on the observed graph, we propose a novel graph generative framework, SGDM, which is based on subgraph diffusion. Our framework not only improves the scalability and fidelity of graph diffusion models, but also leverages the reverse process to perform novel, conditional generation tasks. In particular, through extensive empirical analysis and a set of novel metrics, we demonstrate that our proposed model effectively supports the following refinement tasks for partially observable networks: T1: denoising extraneous subgraphs, T2: expanding existing subgraphs and T3: performing "style" transfer by regenerating a particular subgraph to match the characteristics of a different node or subgraph.

Fairness-Aware Graph Neural Networks: A Survey

Graph Neural Networks (GNNs) have become increasingly important due to their representational power and state-of-the-art predictive performance on many fundamental learning tasks. Despite this success, GNNs suffer from fairness issues that arise as a result of the underlying graph data and the fundamental aggregation mechanism that lies at the heart of the large class of GNN models. In this article, we examine and categorize fairness techniques for improving the fairness of GNNs. Previous work on fair GNN models and techniques are discussed in terms of whether they focus on improving fairness during a preprocessing step, during training, or in a post-processing phase. Furthermore, we discuss how such techniques can be used together whenever appropriate, and highlight the advantages and intuition as well. We also introduce an intuitive taxonomy for fairness evaluation metrics including graph-level fairness, neighborhood-level fairness, embedding-level fairness, and prediction-level fairness metrics. In addition, graph datasets that are useful for benchmarking the fairness of GNN models are summarized succinctly. Finally, we highlight key open problems and challenges that remain to be addressed.

AutoGML: Fast Automatic Model Selection for Graph Machine Learning

Given a graph learning task, such as link prediction, on a new graph dataset, how can we automatically select the best method as well as its hyperparameters (collectively called a model)? Model selection for graph learning has been largely ad hoc. A typical approach has been to apply popular methods to new datasets, but this is often suboptimal. On the other hand, systematically comparing models on the new graph quickly becomes too costly, or even impractical. In this work, we develop the first meta-learning approach for automatic graph machine learning, called AutoGML, which capitalizes on the prior performances of a large body of existing methods on benchmark graph datasets, and carries over this prior experience to automatically select an effective model to use for the new graph, without any model training or evaluations. To capture the similarity across graphs from different domains, we introduce specialized meta-graph features that quantify the structural characteristics of a graph. Then we design a meta-graph that represents the relations among models and graphs, and develop a graph meta-learner operating on the meta-graph, which estimates the relevance of each model to different graphs. Through extensive experiments, we show that using AutoGML to select a method for the new graph significantly outperforms consistently applying popular methods as well as several existing meta-learners, while being extremely fast at test time.

CGC: Contrastive Graph Clustering for Community Detection and Tracking

Given entities and their interactions in the web data, which may have occurred at different time, how can we find communities of entities and track their evolution? In this paper, we approach this important task from graph clustering perspective. Recently, state-of-the-art clustering performance in various domains has been achieved by deep clustering methods. Especially, deep graph clustering (DGC) methods have successfully extended deep clustering to graph-structured data by learning node representations and cluster assignments in a joint optimization framework. Despite some differences in modeling choices (e.g., encoder architectures), existing DGC methods are mainly based on autoencoders and use the same clustering objective with relatively minor adaptations. Also, while many real-world graphs are dynamic, previous DGC methods considered only static graphs. In this work, we develop CGC, a novel end-to-end framework for graph clustering, which fundamentally differs from existing methods. CGC learns node embeddings and cluster assignments in a contrastive graph learning framework, where positive and negative samples are carefully selected in a multi-level scheme such that they reflect hierarchical community structures and network homophily. Also, we extend CGC for time-evolving data, where temporal graph clustering is performed in an incremental learning fashion, with the ability to detect change points. Extensive evaluation on real-world graphs demonstrates that the proposed CGC consistently outperforms existing methods.

EvoKG: Jointly Modeling Event Time and Network Structure for Reasoning over Temporal Knowledge Graphs

How can we perform knowledge reasoning over temporal knowledge graphs (TKGs)? TKGs represent facts about entities and their relations, where each fact is associated with a timestamp. Reasoning over TKGs, i.e., inferring new facts from time-evolving KGs, is crucial for many applications to provide intelligent services. However, despite the prevalence of real-world data that can be represented as TKGs, most methods focus on reasoning over static knowledge graphs, or cannot predict future events. In this paper, we present a problem formulation that unifies the two major problems that need to be addressed for an effective reasoning over TKGs, namely, modeling the event time and the evolving network structure. Our proposed method EvoKG jointly models both tasks in an effective framework, which captures the ever-changing structural and temporal dynamics in TKGs via recurrent event modeling, and models the interactions between entities based on the temporal neighborhood aggregation framework. Further, EvoKG achieves an accurate modeling of event time, using flexible and efficient mechanisms based on neural density estimation. Experiments show that EvoKG outperforms existing methods in terms of effectiveness (up to 77% and 116% more accurate time and link prediction) and efficiency.

Knowledge-Guided Dynamic Systems Modeling: A Case Study on Modeling River Water Quality

Modeling real-world phenomena is a focus of many science and engineering efforts, such as ecological modeling and financial forecasting, to name a few. Building an accurate model for complex and dynamic systems improves understanding of underlying processes and leads to resource efficiency. Towards this goal, knowledge-driven modeling builds a model based on human expertise, yet is often suboptimal. At the opposite extreme, data-driven modeling learns a model directly from data, requiring extensive data and potentially generating overfitting. We focus on an intermediate approach, model revision, in which prior knowledge and data are combined to achieve the best of both worlds. In this paper, we propose a genetic model revision framework based on tree-adjoining grammar (TAG) guided genetic programming (GP), using the TAG formalism and GP operators in an effective mechanism to incorporate prior knowledge and make data-driven revisions in a way that complies with prior knowledge. Our framework is designed to address the high computational cost of evolutionary modeling of complex systems. Via a case study on the challenging problem of river water quality modeling, we show that the framework efficiently learns an interpretable model, with higher modeling accuracy than existing methods.

J-Recs: Principled and Scalable Recommendation Justification

Online recommendation is an essential functionality across a variety of services, including e-commerce and video streaming, where items to buy, watch, or read are suggested to users. Justifying recommendations, i.e., explaining why a user might like the recommended item, has been shown to improve user satisfaction and persuasiveness of the recommendation. In this paper, we develop a method for generating post-hoc justifications that can be applied to the output of any recommendation algorithm. Existing post-hoc methods are often limited in providing diverse justifications, as they either use only one of many available types of input data, or rely on the predefined templates. We address these limitations of earlier approaches by developing J-Recs, a method for producing concise and diverse justifications. J-Recs is a recommendation model-agnostic method that generates diverse justifications based on various types of product and user data (e.g., purchase history and product attributes). The challenge of jointly processing multiple types of data is addressed by designing a principled graph-based approach for justification generation. In addition to theoretical analysis, we present an extensive evaluation on synthetic and real-world data. Our results show that J-Recs satisfies desirable properties of justifications, and efficiently produces effective justifications, matching user preferences up to 20% more accurately than baselines.

MultiImport: Inferring Node Importance in a Knowledge Graph from Multiple Input Signals

Given multiple input signals, how can we infer node importance in a knowledge graph (KG)? Node importance estimation is a crucial and challenging task that can benefit a lot of applications including recommendation, search, and query disambiguation. A key challenge towards this goal is how to effectively use input from different sources. On the one hand, a KG is a rich source of information, with multiple types of nodes and edges. On the other hand, there are external input signals, such as the number of votes or pageviews, which can directly tell us about the importance of entities in a KG. While several methods have been developed to tackle this problem, their use of these external signals has been limited as they are not designed to consider multiple signals simultaneously. In this paper, we develop an end-to-end model MultiImport, which infers latent node importance from multiple, potentially overlapping, input signals. MultiImport is a latent variable model that captures the relation between node importance and input signals, and effectively learns from multiple signals with potential conflicts. Also, MultiImport provides an effective estimator based on attentive graph neural networks. We ran experiments on real-world KGs to show that MultiImport handles several challenges involved with inferring node importance from multiple input signals, and consistently outperforms existing methods, achieving up to 23.7% higher NDCG@100 than the state-of-the-art method.