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We present new refinement heuristics for the balanced graph partitioning problem that break with an age-old rule. Traditionally, local search only permits moves that keep the block sizes balanced (below a size constraint). In this work, we demonstrate that admitting large temporary balance violations drastically improves solution quality. The effects are particularly strong on irregular instances such as social networks. Designing efficient implementations of this general idea involves both careful selection of candidates for unconstrained moves as well as algorithms for rebalancing the solution later on. We explore a wide array of design choices to achieve this, in addition to our third goal of high parallel scalability. We present compelling experimental results, demonstrating that our parallel unconstrained local search techniques outperform the prior state of the art by a substantial margin. Compared with four state-of-the-art solvers, our new technique finds 91% of the best solutions on irregular graphs. We achieve a 13.8% improvement in edge cut over the next best competitor, while being only 11.4% slower in the geometric mean.

Process pattern discovery methods (PPDMs) aim at identifying patterns of interest to users. Existing PPDMs typically are unsupervised and focus on a single dimension of interest, such as discovering frequent patterns. We present an interactive multi interest driven framework for process pattern discovery aimed at identifying patterns that are optimal according to a multi-dimensional analysis goal. The proposed approach is iterative and interactive, thus taking experts knowledge into account during the discovery process. The paper focuses on a concrete analysis goal, i.e., deriving process patterns that affect the process outcome. We evaluate the approach on real world event logs in both interactive and fully automated settings. The approach extracted meaningful patterns validated by expert knowledge in the interactive setting. Patterns extracted in the automated settings consistently led to prediction performance comparable to or better than patterns derived considering single interest dimensions without requiring user defined thresholds.

Machine learning algorithms have shown remarkable performance in diverse applications. However, it is still challenging to guarantee performance in distribution shifts when distributions of training and test datasets are different. There have been several approaches to improve the performance in distribution shift cases by learning invariant features across groups or domains. However, we observe that the previous works only learn invariant features partially. While the prior works focus on the limited invariant features, we first raise the importance of the sufficient invariant features. Since only training sets are given empirically, the learned partial invariant features from training sets might not be present in the test sets under distribution shift. Therefore, the performance improvement on distribution shifts might be limited. In this paper, we argue that learning sufficient invariant features from the training set is crucial for the distribution shift case. Concretely, we newly observe the connection between a) sufficient invariant features and b) flatness differences between groups or domains. Moreover, we propose a new algorithm, Adaptive Sharpness-aware Group Distributionally Robust Optimization (ASGDRO), to learn sufficient invariant features across domains or groups. ASGDRO learns sufficient invariant features by seeking common flat minima across all groups or domains. Therefore, ASGDRO improves the performance on diverse distribution shift cases. Besides, we provide a new simple dataset, Heterogeneous-CMNIST, to diagnose whether the various algorithms learn sufficient invariant features.

In recent years, spiking neural networks (SNNs) have been used in reinforcement learning (RL) due to their low power consumption and event-driven features. However, spiking reinforcement learning (SRL), which suffers from fixed coding methods, still faces the problems of high latency and poor versatility. In this paper, we use learnable matrix multiplication to encode and decode spikes, improving the flexibility of the coders and thus reducing latency. Meanwhile, we train the SNNs using the direct training method and use two different structures for online and offline RL algorithms, which gives our model a wider range of applications. Extensive experiments have revealed that our method achieves optimal performance with ultra-low latency (as low as 0.8% of other SRL methods) and excellent energy efficiency (up to 5X the DNNs) in different algorithms and different environments.

Recently, there has been a growing interest in learning and explaining causal effects within Neural Network (NN) models. By virtue of NN architectures, previous approaches consider only direct and total causal effects assuming independence among input variables. We view an NN as a structural causal model (SCM) and extend our focus to include indirect causal effects by introducing feedforward connections among input neurons. We propose an ante-hoc method that captures and maintains direct, indirect, and total causal effects during NN model training. We also propose an algorithm for quantifying learned causal effects in an NN model and efficient approximation strategies for quantifying causal effects in high-dimensional data. Extensive experiments conducted on synthetic and real-world datasets demonstrate that the causal effects learned by our ante-hoc method better approximate the ground truth effects compared to existing methods.

Graph Convolutional Network (GCN) has achieved extraordinary success in learning effective task-specific representations of nodes in graphs. However, regarding Heterogeneous Information Network (HIN), existing HIN-oriented GCN methods still suffer from two deficiencies: (1) they cannot flexibly explore all possible meta-paths and extract the most useful ones for a target object, which hinders both effectiveness and interpretability; (2) they often need to generate intermediate meta-path based dense graphs, which leads to high computational complexity. To address the above issues, we propose an interpretable and efficient Heterogeneous Graph Convolutional Network (ie-HGCN) to learn the representations of objects in HINs. It is designed as a hierarchical aggregation architecture, i.e., object-level aggregation first, followed by type-level aggregation. The novel architecture can automatically extract useful meta-paths for each object from all possible meta-paths (within a length limit), which brings good model interpretability. It can also reduce the computational cost by avoiding intermediate HIN transformation and neighborhood attention. We provide theoretical analysis about the proposed ie-HGCN in terms of evaluating the usefulness of all possible meta-paths, its connection to the spectral graph convolution on HINs, and its quasi-linear time complexity. Extensive experiments on three real network datasets demonstrate the superiority of ie-HGCN over the state-of-the-art methods.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.