arXiv subjects

Pan Li

Publications and source records attributed to Pan Li.

At least 163 records · Page 9Linked to original sources

arXiv2022

Algorithm and System Co-design for Efficient Subgraph-based Graph Representation Learning

Subgraph-based graph representation learning (SGRL) has been recently proposed to deal with some fundamental challenges encountered by canonical graph neural networks (GNNs), and has demonstrated advantages in many important data science applications such as link, relation and motif prediction. However, current SGRL approaches suffer from scalability issues since they require extracting subgraphs for each training or test query. Recent solutions that scale up canonical GNNs may not apply to SGRL. Here, we propose a novel framework SUREL for scalable SGRL by co-designing the learning algorithm and its system support. SUREL adopts walk-based decomposition of subgraphs and reuses the walks to form subgraphs, which substantially reduces the redundancy of subgraph extraction and supports parallel computation. Experiments over six homogeneous, heterogeneous and higher-order graphs with millions of nodes and edges demonstrate the effectiveness and scalability of SUREL. In particular, compared to SGRL baselines, SUREL achieves 10$\times$ speed-up with comparable or even better prediction performance; while compared to canonical GNNs, SUREL achieves 50% prediction accuracy improvement.

cs.LG↗

arXiv2022

Equivariant and Stable Positional Encoding for More Powerful Graph Neural Networks

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to address this problem by using random node features or node distance features. However, they suffer from either slow convergence, inaccurate prediction, or high complexity. In this work, we revisit GNNs that allow using positional features of nodes given by positional encoding (PE) techniques such as Laplacian Eigenmap, Deepwalk, etc. GNNs with PE often get criticized because they are not generalizable to unseen graphs (inductive) or stable. Here, we study these issues in a principled way and propose a provable solution, a class of GNN layers termed PEG with rigorous mathematical analysis. PEG uses separate channels to update the original node features and positional features. PEG imposes permutation equivariance w.r.t. the original node features and imposes $O(p)$ (orthogonal group) equivariance w.r.t. the positional features simultaneously, where $p$ is the dimension of used positional features. Extensive link prediction experiments over 8 real-world networks demonstrate the advantages of PEG in generalization and scalability.

cs.LG↗

arXiv2022

Two-Dimensional Weisfeiler-Lehman Graph Neural Networks for Link Prediction

Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively passing neighboring node features to the center, and then obtain link representations by aggregating the pairwise node representations. As pointed out by previous works, this two-step procedure results in low discriminating power, as 1-WL-GNNs by nature learn node-level representations instead of link-level. In this paper, we study a completely different approach which can directly obtain node pair (link) representations based on \textit{two-dimensional Weisfeiler-Lehman (2-WL) tests}. 2-WL tests directly use links (2-tuples) as message passing units instead of nodes, and thus can directly obtain link representations. We theoretically analyze the expressive power of 2-WL tests to discriminate non-isomorphic links, and prove their superior link discriminating power than 1-WL. Based on different 2-WL variants, we propose a series of novel 2-WL-GNN models for link prediction. Experiments on a wide range of real-world datasets demonstrate their competitive performance to state-of-the-art baselines and superiority over plain 1-WL-GNNs.

cs.LG↗

arXiv2022

Interpretable and Generalizable Graph Learning via Stochastic Attention Mechanism

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models (graph neural networks in particular). They argue against inherently interpretable models because the good interpretability of these models is often at the cost of their prediction accuracy. However, those post-hoc methods often fail to provide stable interpretation and may extract features that are spuriously correlated with the task. In this work, we address these issues by proposing Graph Stochastic Attention (GSAT). Derived from the information bottleneck principle, GSAT injects stochasticity to the attention weights to block the information from task-irrelevant graph components while learning stochasticity-reduced attention to select task-relevant subgraphs for interpretation. The selected subgraphs provably do not contain patterns that are spuriously correlated with the task under some assumptions. Extensive experiments on eight datasets show that GSAT outperforms the state-of-the-art methods by up to 20%$\uparrow$ in interpretation AUC and 5%$\uparrow$ in prediction accuracy. Our code is available at https://github.com/Graph-COM/GSAT.

cs.LG↗

arXiv2022

Robust Fingerprinting of Genomic Databases

Database fingerprinting has been widely used to discourage unauthorized redistribution of data by providing means to identify the source of data leakages. However, there is no fingerprinting scheme aiming at achieving liability guarantees when sharing genomic databases. Thus, we are motivated to fill in this gap by devising a vanilla fingerprinting scheme specifically for genomic databases. Moreover, since malicious genomic database recipients may compromise the embedded fingerprint by launching effective correlation attacks which leverage the intrinsic correlations among genomic data (e.g., Mendel's law and linkage disequilibrium), we also augment the vanilla scheme by developing mitigation techniques to achieve robust fingerprinting of genomic databases against correlation attacks. We first show that correlation attacks against fingerprinting schemes for genomic databases are very powerful. In particular, the correlation attacks can distort more than half of the fingerprint bits by causing a small utility loss (e.g.,database accuracy and consistency of SNP-phenotype associations measured via p-values). Next, we experimentally show that the correlation attacks can be effectively mitigated by our proposed mitigation techniques. We validate that the attacker can hardly compromise a large portion of the fingerprint bits even if it pays a higher cost in terms of degradation of the database utility. For example, with around 24% loss in accuracy and 20% loss in the consistency of SNP-phenotype associations, the attacker can only distort about 30% fingerprint bits, which is insufficient for it to avoid being accused. We also show that the proposed mitigation techniques also preserve the utility of the shared genomic databases.

cs.CR↗

arXiv2022

Semi-supervised Graph Neural Networks for Pileup Noise Removal

The high instantaneous luminosity of the CERN Large Hadron Collider leads to multiple proton-proton interactions in the same or nearby bunch crossings (pileup). Advanced pileup mitigation algorithms are designed to remove this noise from pileup particles and improve the performance of crucial physics observables. This study implements a semi-supervised graph neural network for particle-level pileup noise removal, by identifying individual particles produced from pileup. The graph neural network is firstly trained on charged particles with known labels, which can be obtained from detector measurements on data or simulation, and then inferred on neutral particles for which such labels are missing. This semi-supervised approach does not depend on the ground truth information from simulation and thus allows us to perform training directly on experimental data. The performance of this approach is found to be consistently better than widely-used domain algorithms and comparable to the fully-supervised training using simulation truth information. The study serves as the first attempt at applying semi-supervised learning techniques to pileup mitigation, and opens up a new direction of fully data-driven machine learning pileup mitigation studies.

hep-ex↗

arXiv2022

A Framework of Meta Functional Learning for Regularising Knowledge Transfer

Machine learning classifiers' capability is largely dependent on the scale of available training data and limited by the model overfitting in data-scarce learning tasks. To address this problem, this work proposes a novel framework of Meta Functional Learning (MFL) by meta-learning a generalisable functional model from data-rich tasks whilst simultaneously regularising knowledge transfer to data-scarce tasks. The MFL computes meta-knowledge on functional regularisation generalisable to different learning tasks by which functional training on limited labelled data promotes more discriminative functions to be learned. Based on this framework, we formulate three variants of MFL: MFL with Prototypes (MFL-P) which learns a functional by auxiliary prototypes, Composite MFL (ComMFL) that transfers knowledge from both functional space and representational space, and MFL with Iterative Updates (MFL-IU) which improves knowledge transfer regularisation from MFL by progressively learning the functional regularisation in knowledge transfer. Moreover, we generalise these variants for knowledge transfer regularisation from binary classifiers to multi-class classifiers. Extensive experiments on two few-shot learning scenarios, Few-Shot Learning (FSL) and Cross-Domain Few-Shot Learning (CD-FSL), show that meta functional learning for knowledge transfer regularisation can improve FSL classifiers.

cs.LG↗

arXiv2022

Ranking Distance Calibration for Cross-Domain Few-Shot Learning

Recent progress in few-shot learning promotes a more realistic cross-domain setting, where the source and target datasets are from different domains. Due to the domain gap and disjoint label spaces between source and target datasets, their shared knowledge is extremely limited. This encourages us to explore more information in the target domain rather than to overly elaborate training strategies on the source domain as in many existing methods. Hence, we start from a generic representation pre-trained by a cross-entropy loss and a conventional distance-based classifier, along with an image retrieval view, to employ a re-ranking process for calibrating a target distance matrix by discovering the reciprocal k-nearest neighbours within the task. Assuming the pre-trained representation is biased towards the source, we construct a non-linear subspace to minimise task-irrelevant features therewithin while keep more transferrable discriminative information by a hyperbolic tangent transformation. The calibrated distance in this target-aware non-linear subspace is complementary to that in the pre-trained representation. To impose such distance calibration information onto the pre-trained representation, a Kullback-Leibler divergence loss is employed to gradually guide the model towards the calibrated distance-based distribution. Extensive evaluations on eight target domains show that this target ranking calibration process can improve conventional distance-based classifiers in few-shot learning.

cs.CV↗

arXiv2022

Privacy-Preserving Database Fingerprinting

When sharing sensitive relational databases with other parties, a database owner aims to (i) have privacy guarantees for the database entries, (ii) have liability guarantees (via fingerprinting) in case of unauthorized sharing of its database by the recipients, and (iii) provide a high quality (utility) database to the recipients. We observe that sharing a relational database with privacy and liability guarantees are orthogonal objectives. The former can be achieved by injecting noise into the database to prevent inference of the original data values, whereas, the latter can be achieved by hiding unique marks inside the database to trace malicious parties (data recipients) who redistribute the data without the authorization. We achieve these two objectives simultaneously by proposing a novel entry-level differentially-private fingerprinting mechanism for relational databases. At a high level, the proposed mechanism fulfills the privacy and liability requirements by leveraging the randomization nature that is intrinsic to fingerprinting and achieves desired entry-level privacy guarantees. To be more specific, we devise a bit-level random response scheme to achieve differential privacy guarantee for arbitrary data entries when sharing the entire database, and then, based on this, we develop an $ε$-entry-level differentially-private fingerprinting mechanism. Next, we theoretically analyze the relationships between privacy guarantee, fingerprint robustness, and database utility by deriving closed form expressions. The outcome of this analysis allows us to bound the privacy leakage caused by attribute inference attack and characterize the privacy-utility coupling and privacy-fingerprint robustness coupling. Furthermore, we also propose a SVT-based solution to control the cumulative privacy loss when fingerprinted copies of a database are shared with multiple recipients.

cs.CR↗

arXiv2022

Graph Auto-Encoder Via Neighborhood Wasserstein Reconstruction

Graph neural networks (GNNs) have drawn significant research attention recently, mostly under the setting of semi-supervised learning. When task-agnostic representations are preferred or supervision is simply unavailable, the auto-encoder framework comes in handy with a natural graph reconstruction objective for unsupervised GNN training. However, existing graph auto-encoders are designed to reconstruct the direct links, so GNNs trained in this way are only optimized towards proximity-oriented graph mining tasks, and will fall short when the topological structures matter. In this work, we revisit the graph encoding process of GNNs which essentially learns to encode the neighborhood information of each node into an embedding vector, and propose a novel graph decoder to reconstruct the entire neighborhood information regarding both proximity and structure via Neighborhood Wasserstein Reconstruction (NWR). Specifically, from the GNN embedding of each node, NWR jointly predicts its node degree and neighbor feature distribution, where the distribution prediction adopts an optimal-transport loss based on the Wasserstein distance. Extensive experiments on both synthetic and real-world network datasets show that the unsupervised node representations learned with NWR have much more advantageous in structure-oriented graph mining tasks, while also achieving competitive performance in proximity-oriented ones.

cs.LG↗

arXiv2022

Energy-Efficient Computation Offloading in MobileEdge Computing Systems with Uncertainties

Computation offloading is indispensable for mobile edge computing (MEC). It uses edge resources to enable intensive computations and save energy for resource-constrained devices. Existing works generally impose strong assumptions on radio channels and network queue sizes. However, practical MEC systems are subject to various uncertainties rendering these assumptions impractical. In this paper, we investigate the energy-efficient computation offloading problem by relaxing those common assumptions and considering intrinsic uncertainties in the network. Specifically, we minimize the worst-case expected energy consumption of a local device when executing a time-critical application modeled as a directed acyclic graph. We employ the extreme value theory to bound the occurrence probability of uncertain events. To solve the formulated problem, we develop an $ε$-bounded approximation algorithm based on column generation. The proposed algorithm can efficiently identify a feasible solution that is less than (1+$ε$) of the optimal one. We implement the proposed scheme on an Android smartphone and conduct extensive experiments using a real-world application. Experiment results corroborate that it will lead to lower energy consumption for the client device by considering the intrinsic uncertainties during computation offloading. The proposed computation offloading scheme also significantly outperforms other schemes in terms of energy saving.

cs.DC↗

arXiv2022

High-Level Synthesis Performance Prediction using GNNs: Benchmarking, Modeling, and Advancing

Agile hardware development requires fast and accurate circuit quality evaluation from early design stages. Existing work of high-level synthesis (HLS) performance prediction usually needs extensive feature engineering after the synthesis process. To expedite circuit evaluation from as earlier design stage as possible, we propose a rapid and accurate performance modeling, exploiting the representation power of graph neural networks (GNNs) by representing C/C++ programs as graphs. The contribution of this work is three-fold. First, we build a standard benchmark containing 40k C synthesizable programs, which includes both synthetic programs and three sets of real-world HLS benchmarks. Each program is implemented on FPGA to generate ground-truth performance metrics. Second, we formally formulate the HLS performance prediction problem on graphs, and propose multiple modeling strategies with GNNs that leverage different trade-offs between prediction timeliness (early/late prediction) and accuracy. Third, we further propose a novel hierarchical GNN that does not sacrifice timeliness but largely improves prediction accuracy, significantly outperforming HLS tools. We apply extensive evaluations for both synthetic and unseen real-case programs; our proposed predictor largely outperforms HLS by up to 40X and excels existing predictors by 2X to 5X in terms of resource usage and timing prediction.

cs.LG↗

arXiv2022

Neural Predicting Higher-order Patterns in Temporal Networks

Dynamic systems that consist of a set of interacting elements can be abstracted as temporal networks. Recently, higher-order patterns that involve multiple interacting nodes have been found crucial to indicate domain-specific laws of different temporal networks. This posts us the challenge of designing more sophisticated hypergraph models for these higher-order patterns and the associated new learning algorithms. Here, we propose the first model, named HIT, for full-spectrum higher-order pattern prediction in temporal hypergraphs. Particularly, we focus on predicting three types of common but important interaction patterns involving three interacting elements in temporal networks, which could be extended to even higher-order patterns. HIT extracts the structural representation of a node triplet of interest on the temporal hypergraph and uses it to tell what type of, when, and why the interaction expansion could happen in this triplet. HIT could achieve significant improvement (averaged 20% AUC gain to identify the interaction type, uniformly more accurate time estimation) compared to both heuristic and other neural-network-based baselines on 5 real-world large temporal hypergraphs. Moreover, HIT provides a certain degree of interpretability by identifying the most discriminatory structural features on the temporal hypergraphs for predicting different higher-order patterns.

cs.SI↗

arXiv2022

Labeling Trick: A Theory of Using Graph Neural Networks for Multi-Node Representation Learning

In this paper, we provide a theory of using graph neural networks (GNNs) for multi-node representation learning (where we are interested in learning a representation for a set of more than one node, such as link). We know that GNN is designed to learn single-node representations. When we want to learn a node set representation involving multiple nodes, a common practice in previous works is to directly aggregate the single-node representations obtained by a GNN into a joint node set representation. In this paper, we show a fundamental constraint of such an approach, namely the inability to capture the dependence between nodes in the node set, and argue that directly aggregating individual node representations does not lead to an effective joint representation for multiple nodes. Then, we notice that a few previous successful works for multi-node representation learning, including SEAL, Distance Encoding, and ID-GNN, all used node labeling. These methods first label nodes in the graph according to their relationships with the target node set before applying a GNN. Then, the node representations obtained in the labeled graph are aggregated into a node set representation. By investigating their inner mechanisms, we unify these node labeling techniques into a single and most general form -- labeling trick. We prove that with labeling trick a sufficiently expressive GNN learns the most expressive node set representations, thus in principle solves any joint learning tasks over node sets. Experiments on one important two-node representation learning task, link prediction, verified our theory. Our work explains the superior performance of previous node-labeling-based methods, and establishes a theoretical foundation of using GNNs for multi-node representation learning.

cs.LG↗

arXiv2021

Topological interface states induced by incident angle in the 1D elastic wave system

Topological interface states are currently attracting rapidly growing attention in classical wave systems. However, little work has been done on topological interface states in one-dimensional (1D) elastic wave systems, especially in the case of oblique incidence. This paper theoretically demonstrates the realization of topological interface states of elastic waves in a 1D composite plate structure composed of two phononic crystals (PCs) with different topological characteristics, which can be regulated by the incident angle. For the out-of-plane SH mode, multiple topological interface states can coexist in different common bandgaps. For the in-plane complex P-SV coupled mode, topological interface states can exist in both "partial-polarization" and "omni-polarization" bandgaps. All these interface states are in the wide frequency and incident angle regions. We also discuss the polarization and the mode conversion of the interface states. Our results provide an innovative method to excite and tune topologically protected interface states for elastic waves, which may have potential applications in obtaining strong local vibration for different polarized elastic wave modes.

physics.app-ph↗

arXiv2021

Generic Neural Architecture Search via Regression

Most existing neural architecture search (NAS) algorithms are dedicated to and evaluated by the downstream tasks, e.g., image classification in computer vision. However, extensive experiments have shown that, prominent neural architectures, such as ResNet in computer vision and LSTM in natural language processing, are generally good at extracting patterns from the input data and perform well on different downstream tasks. In this paper, we attempt to answer two fundamental questions related to NAS. (1) Is it necessary to use the performance of specific downstream tasks to evaluate and search for good neural architectures? (2) Can we perform NAS effectively and efficiently while being agnostic to the downstream tasks? To answer these questions, we propose a novel and generic NAS framework, termed Generic NAS (GenNAS). GenNAS does not use task-specific labels but instead adopts regression on a set of manually designed synthetic signal bases for architecture evaluation. Such a self-supervised regression task can effectively evaluate the intrinsic power of an architecture to capture and transform the input signal patterns, and allow more sufficient usage of training samples. Extensive experiments across 13 CNN search spaces and one NLP space demonstrate the remarkable efficiency of GenNAS using regression, in terms of both evaluating the neural architectures (quantified by the ranking correlation Spearman's rho between the approximated performances and the downstream task performances) and the convergence speed for training (within a few seconds).

cs.LG↗

arXiv2021

Adversarial Graph Augmentation to Improve Graph Contrastive Learning

Self-supervised learning of graph neural networks (GNN) is in great need because of the widespread label scarcity issue in real-world graph/network data. Graph contrastive learning (GCL), by training GNNs to maximize the correspondence between the representations of the same graph in its different augmented forms, may yield robust and transferable GNNs even without using labels. However, GNNs trained by traditional GCL often risk capturing redundant graph features and thus may be brittle and provide sub-par performance in downstream tasks. Here, we propose a novel principle, termed adversarial-GCL (AD-GCL), which enables GNNs to avoid capturing redundant information during the training by optimizing adversarial graph augmentation strategies used in GCL. We pair AD-GCL with theoretical explanations and design a practical instantiation based on trainable edge-dropping graph augmentation. We experimentally validate AD-GCL by comparing with the state-of-the-art GCL methods and achieve performance gains of up-to $14\%$ in unsupervised, $6\%$ in transfer, and $3\%$ in semi-supervised learning settings overall with 18 different benchmark datasets for the tasks of molecule property regression and classification, and social network classification.

cs.LG↗

arXiv2021

Adaptive Universal Generalized PageRank Graph Neural Network

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not optimally trade-off their utility and integrate them in a manner that is also universal. Here, universality refers to independence on homophily or heterophily graph assumptions. We address these issues by introducing a new Generalized PageRank (GPR) GNN architecture that adaptively learns the GPR weights so as to jointly optimize node feature and topological information extraction, regardless of the extent to which the node labels are homophilic or heterophilic. Learned GPR weights automatically adjust to the node label pattern, irrelevant on the type of initialization, and thereby guarantee excellent learning performance for label patterns that are usually hard to handle. Furthermore, they allow one to avoid feature over-smoothing, a process which renders feature information nondiscriminative, without requiring the network to be shallow. Our accompanying theoretical analysis of the GPR-GNN method is facilitated by novel synthetic benchmark datasets generated by the so-called contextual stochastic block model. We also compare the performance of our GNN architecture with that of several state-of-the-art GNNs on the problem of node-classification, using well-known benchmark homophilic and heterophilic datasets. The results demonstrate that GPR-GNN offers significant performance improvement compared to existing techniques on both synthetic and benchmark data.

cs.LG↗