Jie Chen

Jie Chen, Shouzhen Chen, Mingyuan Bai et al.

The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when deploying GNNs to large-scale graphs. One promising inference acceleration direction is to distill the GNNs into message-passing-free student multi-layer perceptrons (MLPs). However, the MLP student cannot fully learn the structure knowledge due to the lack of structure inputs, which causes inferior performance in the heterophily and inductive scenarios. To address this, we intend to inject structure information into MLP-like students in low-latency and interpretable ways. Specifically, we first design a Structure-Aware MLP (SA-MLP) student that encodes both features and structures without message-passing. Then, we introduce a novel structure-mixing knowledge distillation strategy to enhance the learning ability of MLPs for structure information. Furthermore, we design a latent structure embedding approximation technique with two-stage distillation for inductive scenarios. Extensive experiments on eight benchmark datasets under both transductive and inductive settings show that our SA-MLP can consistently outperform the teacher GNNs, while maintaining faster inference as MLPs. The source code of our work can be found in https://github.com/JC-202/SA-MLP.

Jie Chen, Shouzhen Chen, Junbin Gao et al.

Due to the homophily assumption in graph convolution networks (GNNs), a common consensus in the graph node classification task is that GNNs perform well on homophilic graphs but may fail on heterophilic graphs with many inter-class edges. However, the previous inter-class edges perspective and related homo-ratio metrics cannot well explain the GNNs performance under some heterophilic datasets, which implies that not all the inter-class edges are harmful to GNNs. In this work, we propose a new metric based on von Neumann entropy to re-examine the heterophily problem of GNNs and investigate the feature aggregation of inter-class edges from an entire neighbor identifiable perspective. Moreover, we propose a simple yet effective Conv-Agnostic GNN framework (CAGNNs) to enhance the performance of most GNNs on heterophily datasets by learning the neighbor effect for each node. Specifically, we first decouple the feature of each node into the discriminative feature for downstream tasks and the aggregation feature for graph convolution. Then, we propose a shared mixer module to adaptively evaluate the neighbor effect of each node to incorporate the neighbor information. The proposed framework can be regarded as a plug-in component and is compatible with most GNNs. The experimental results over nine well-known benchmark datasets indicate that our framework can significantly improve performance, especially for the heterophily graphs. The average performance gain is 9.81%, 25.81%, and 20.61% compared with GIN, GAT, and GCN, respectively. Extensive ablation studies and robustness analysis further verify the effectiveness, robustness, and interpretability of our framework. Code is available at https://github.com/JC-202/CAGNN.

Jie Chen, Zilong Li, Yin Zhu et al.

Existing Graph Neural Networks (GNNs) follow the message-passing mechanism that conducts information interaction among nodes iteratively. While considerable progress has been made, such node interaction paradigms still have the following limitation. First, the scalability limitation precludes the broad application of GNNs in large-scale industrial settings since the node interaction among rapidly expanding neighbors incurs high computation and memory costs. Second, the over-smoothing problem restricts the discrimination ability of nodes, i.e., node representations of different classes will converge to indistinguishable after repeated node interactions. In this work, we propose a novel hop interaction paradigm to address these limitations simultaneously. The core idea is to convert the interaction target among nodes to pre-processed multi-hop features inside each node. We design a simple yet effective HopGNN framework that can easily utilize existing GNNs to achieve hop interaction. Furthermore, we propose a multi-task learning strategy with a self-supervised learning objective to enhance HopGNN. We conduct extensive experiments on 12 benchmark datasets in a wide range of domains, scales, and smoothness of graphs. Experimental results show that our methods achieve superior performance while maintaining high scalability and efficiency. The code is at https://github.com/JC-202/HopGNN.

Shoumeng Qiu, Jie Chen, Xinrun Li et al.

In this paper, we introduce a novel knowledge distillation approach for the semantic segmentation task. Unlike previous methods that rely on power-trained teachers or other modalities to provide additional knowledge, our approach does not require complex teacher models or information from extra sensors. Specifically, for the teacher model training, we propose to noise the label and then incorporate it into input to effectively boost the lightweight teacher performance. To ensure the robustness of the teacher model against the introduced noise, we propose a dual-path consistency training strategy featuring a distance loss between the outputs of two paths. For the student model training, we keep it consistent with the standard distillation for simplicity. Our approach not only boosts the efficacy of knowledge distillation but also increases the flexibility in selecting teacher and student models. To demonstrate the advantages of our Label Assisted Distillation (LAD) method, we conduct extensive experiments on five challenging datasets including Cityscapes, ADE20K, PASCAL-VOC, COCO-Stuff 10K, and COCO-Stuff 164K, five popular models: FCN, PSPNet, DeepLabV3, STDC, and OCRNet, and results show the effectiveness and generalization of our approach. We posit that incorporating labels into the input, as demonstrated in our work, will provide valuable insights into related fields. Code is available at https://github.com/skyshoumeng/Label_Assisted_Distillation.

Patrick Ferber, Tengfei Ma, Siyu Huo et al.

Benchmark data sets are an indispensable ingredient of the evaluation of graph-based machine learning methods. We release a new data set, compiled from International Planning Competitions (IPC), for benchmarking graph classification, regression, and related tasks. Apart from the graph construction (based on AI planning problems) that is interesting in its own right, the data set possesses distinctly different characteristics from popularly used benchmarks. The data set, named IPC, consists of two self-contained versions, grounded and lifted, both including graphs of large and skewedly distributed sizes, posing substantial challenges for the computation of graph models such as graph kernels and graph neural networks. The graphs in this data set are directed and the lifted version is acyclic, offering the opportunity of benchmarking specialized models for directed (acyclic) structures. Moreover, the graph generator and the labeling are computer programmed; thus, the data set may be extended easily if a larger scale is desired. The data set is accessible from \url{https://github.com/IBM/IPC-graph-data}.

Aldo Pareja, Giacomo Domeniconi, Jie Chen et al.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{https://github.com/IBM/EvolveGCN}.

Tengfei Ma, Patrick Ferber, Siyu Huo et al.

Automated planning is one of the foundational areas of AI. Since no single planner can work well for all tasks and domains, portfolio-based techniques have become increasingly popular in recent years. In particular, deep learning emerges as a promising methodology for online planner selection. Owing to the recent development of structural graph representations of planning tasks, we propose a graph neural network (GNN) approach to selecting candidate planners. GNNs are advantageous over a straightforward alternative, the convolutional neural networks, in that they are invariant to node permutations and that they incorporate node labels for better inference. Additionally, for cost-optimal planning, we propose a two-stage adaptive scheduling method to further improve the likelihood that a given task is solved in time. The scheduler may switch at halftime to a different planner, conditioned on the observed performance of the first one. Experimental results validate the effectiveness of the proposed method against strong baselines, both deep learning and non-deep learning based. The code is available at \url{https://github.com/matenure/GNN_planner}.

Tim Kaler, Alexandros-Stavros Iliopoulos, Philip Murzynowski et al.

Training and inference with graph neural networks (GNNs) on massive graphs has been actively studied since the inception of GNNs, owing to the widespread use and success of GNNs in applications such as recommendation systems and financial forensics. This paper is concerned with minibatch training and inference with GNNs that employ node-wise sampling in distributed settings, where the necessary partitioning of vertex features across distributed storage causes feature communication to become a major bottleneck that hampers scalability. To significantly reduce the communication volume without compromising prediction accuracy, we propose a policy for caching data associated with frequently accessed vertices in remote partitions. The proposed policy is based on an analysis of vertex-wise inclusion probabilities (VIP) during multi-hop neighborhood sampling, which may expand the neighborhood far beyond the partition boundaries of the graph. VIP analysis not only enables the elimination of the communication bottleneck, but it also offers a means to organize in-memory data by prioritizing GPU storage for the most frequently accessed vertex features. We present SALIENT++, which extends the prior state-of-the-art SALIENT system to work with partitioned feature data and leverages the VIP-driven caching policy. SALIENT++ retains the local training efficiency and scalability of SALIENT by using a deep pipeline and drastically reducing communication volume while consuming only a fraction of the storage required by SALIENT. We provide experimental results with the Open Graph Benchmark data sets and demonstrate that training a 3-layer GraphSAGE model with SALIENT++ on 8 single-GPU machines is 7.1 faster than with SALIENT on 1 single-GPU machine, and 12.7 faster than with DistDGL on 8 single-GPU machines.

Jie Chen, Lingfei Li

We develop deep learning models to learn the hedge ratio for S&P500 index options directly from options data. We compare different combinations of features and show that a feedforward neural network model with time to maturity, Black-Scholes delta and a sentiment variable (VIX for calls and index return for puts) as input features performs the best in the out-of-sample test. This model significantly outperforms the standard hedging practice that uses the Black-Scholes delta and a recent data-driven model. Our results demonstrate the importance of market sentiment for hedging efficiency, a factor previously ignored in developing hedging strategies.

Yongquan Yang, Fengling Li, Yani Wei et al.

Recent studies have demonstrated the effectiveness of the combination of machine learning and logical reasoning, including data-driven logical reasoning, knowledge driven machine learning and abductive learning, in inventing advanced technologies for different artificial intelligence applications. One-step abductive multi-target learning (OSAMTL), an approach inspired by abductive learning, via simply combining machine learning and logical reasoning in a one-step balanced multi-target learning way, has as well shown its effectiveness in handling complex noisy labels of a single noisy sample in medical histopathology whole slide image analysis (MHWSIA). However, OSAMTL is not suitable for the situation where diverse noisy samples (DiNS) are provided for a learning task. In this paper, giving definition of DiNS, we propose one-step abductive multi-target learning with DiNS (OSAMTL-DiNS) to expand the original OSAMTL to handle complex noisy labels of DiNS. Applying OSAMTL-DiNS to tumour segmentation for breast cancer in MHWSIA, we show that OSAMTL-DiNS is able to enable various state-of-the-art approaches for learning from noisy labels to achieve more rational predictions. We released a model pre-trained with OSAMTL-DiNS for tumour segmentation in HE-stained pre-treatment biopsy images in breast cancer, which has been successfully applied as a pre-processing tool to extract tumour-associated stroma compartment for predicting the pathological complete response to neoadjuvant chemotherapy in breast cancer.

Tim Kaler, Nickolas Stathas, Anne Ouyang et al.

Improving the training and inference performance of graph neural networks (GNNs) is faced with a challenge uncommon in general neural networks: creating mini-batches requires a lot of computation and data movement due to the exponential growth of multi-hop graph neighborhoods along network layers. Such a unique challenge gives rise to a diverse set of system design choices. We argue in favor of performing mini-batch training with neighborhood sampling in a distributed multi-GPU environment, under which we identify major performance bottlenecks hitherto under-explored by developers: mini-batch preparation and transfer. We present a sequence of improvements to mitigate these bottlenecks, including a performance-engineered neighborhood sampler, a shared-memory parallelization strategy, and the pipelining of batch transfer with GPU computation. We also conduct an empirical analysis that supports the use of sampling for inference, showing that test accuracies are not materially compromised. Such an observation unifies training and inference, simplifying model implementation. We report comprehensive experimental results with several benchmark data sets and GNN architectures, including a demonstration that, for the ogbn-papers100M data set, our system SALIENT achieves a speedup of 3x over a standard PyTorch-Geometric implementation with a single GPU and a further 8x parallel speedup with 16 GPUs. Therein, training a 3-layer GraphSAGE model with sampling fanout (15, 10, 5) takes 2.0 seconds per epoch and inference with fanout (20, 20, 20) takes 2.4 seconds, attaining test accuracy 64.58%.

Jie Chen, Shouzhen Chen, Mingyuan Bai et al.

Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance, due to edges connecting nodes with different labels. One approach to alleviate this negative disturbance is to use attention to learn the weights of aggregation, but current attention-based GNNs only consider feature similarity and also suffer from the lack of supervision. In this paper, we consider the label dependency of graph nodes and propose a decoupling attention mechanism to learn both hard and soft attention. The hard attention is learned on labels for a refined graph structure with fewer inter-class edges, so that the aggregation's negative disturbance can be reduced. The soft attention aims to learn the aggregation weights based on features over the refined graph structure to enhance information gains during message passing. Particularly, we formulate our model under the EM framework, and the learned attention is used to guide the label propagation in the M-step and the feature propagation in the E-step, respectively. Extensive experiments are performed on six well-known benchmark graph datasets to verify the effectiveness of the proposed method.

Yuliang Ji, Ru Huang, Jie Chen et al.

Deep generative models, since their inception, have become increasingly more capable of generating novel and perceptually realistic signals (e.g., images and sound waves). With the emergence of deep models for graph structured data, natural interests seek extensions of these generative models for graphs. Successful extensions were seen recently in the case of learning from a collection of graphs (e.g., protein data banks), but the learning from a single graph has been largely under explored. The latter case, however, is important in practice. For example, graphs in financial and healthcare systems contain so much confidential information that their public accessibility is nearly impossible, but open science in these fields can only advance when similar data are available for benchmarking. In this work, we propose an approach to generating a doppelganger graph that resembles a given one in many graph properties but nonetheless can hardly be used to reverse engineer the original one, in the sense of a near zero edge overlap. The approach is an orchestration of graph representation learning, generative adversarial networks, and graph realization algorithms. Through comparison with several graph generative models (either parameterized by neural networks or not), we demonstrate that our result barely reproduces the given graph but closely matches its properties. We further show that downstream tasks, such as node classification, on the generated graphs reach similar performance to the use of the original ones.

Veronika Thost, Jie Chen

Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks in scenarios where structure information supplements node features. The most common GNN architecture aggregates information from neighborhoods based on message passing. Its generality has made it broadly applicable. In this paper, we focus on a special, yet widely used, type of graphs -- DAGs -- and inject a stronger inductive bias -- partial ordering -- into the neural network design. We propose the \emph{directed acyclic graph neural network}, DAGNN, an architecture that processes information according to the flow defined by the partial order. DAGNN can be considered a framework that entails earlier works as special cases (e.g., models for trees and models updating node representations recurrently), but we identify several crucial components that prior architectures lack. We perform comprehensive experiments, including ablation studies, on representative DAG datasets (i.e., source code, neural architectures, and probabilistic graphical models) and demonstrate the superiority of DAGNN over simpler DAG architectures as well as general graph architectures.

Tengfei Ma, Jie Chen

Hierarchical abstractions are a methodology for solving large-scale graph problems in various disciplines. Coarsening is one such approach: it generates a pyramid of graphs whereby the one in the next level is a structural summary of the prior one. With a long history in scientific computing, many coarsening strategies were developed based on mathematically driven heuristics. Recently, resurgent interests exist in deep learning to design hierarchical methods learnable through differentiable parameterization. These approaches are paired with downstream tasks for supervised learning. In practice, however, supervised signals (e.g., labels) are scarce and are often laborious to obtain. In this work, we propose an unsupervised approach, coined OTCoarsening, with the use of optimal transport. Both the coarsening matrix and the transport cost matrix are parameterized, so that an optimal coarsening strategy can be learned and tailored for a given set of graphs. We demonstrate that the proposed approach produces meaningful coarse graphs and yields competitive performance compared with supervised methods for graph classification and regression.

Mark Weber, Jie Chen, Toyotaro Suzumura et al.

Organized crime inflicts human suffering on a genocidal scale: the Mexican drug cartels have murdered 150,000 people since 2006, upwards of 700,000 people per year are "exported" in a human trafficking industry enslaving an estimated 40 million people. These nefarious industries rely on sophisticated money laundering schemes to operate. Despite tremendous resources dedicated to anti-money laundering (AML) only a tiny fraction of illicit activity is prevented. The research community can help. In this brief paper, we map the structural and behavioral dynamics driving the technical challenge. We review AML methods, current and emergent. We provide a first look at scalable graph convolutional neural networks for forensic analysis of financial data, which is massive, dense, and dynamic. We report preliminary experimental results using a large synthetic graph (1M nodes, 9M edges) generated by a data simulator we created called AMLSim. We consider opportunities for high performance efficiency, in terms of computation and memory, and we share results from a simple graph compression experiment. Our results support our working hypothesis that graph deep learning for AML bears great promise in the fight against criminal financial activity.

Xiaoyu Liu, Jie Chen, Joel Vaughan et al.

Interpreting a nonparametric regression model with many predictors is known to be a challenging problem. There has been renewed interest in this topic due to the extensive use of machine learning algorithms and the difficulty in understanding and explaining their input-output relationships. This paper develops a unified framework using a derivative-based approach for existing tools in the literature, including the partial-dependence plots, marginal plots and accumulated effects plots. It proposes a new interpretation technique called the accumulated total derivative effects plot and demonstrates how its components can be used to develop extensive insights in complex regression models with correlated predictors. The techniques are illustrated through simulation results.