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Empirical networks possess considerable heterogeneity of node connections, resulting in a small portion of nodes playing crucial roles in network structure and function. Yet, how to characterize nodes' influence and identify vital nodes is by far still unclear in the study of networks with higher-order interactions. In this paper, we introduce a multi-order graph obtained by incorporating the higher-order bipartite graph and the classical pairwise graph, and propose a Higher-order Augmented Random Walk (HoRW) model through random walking on it. This representation preserves as much information about the higher-interacting network as possible. The results indicate that the proposed method effectively addresses the localization problem of certain classical centralities. In contrast to random walks along pairwise interactions only, performing more walks along higher-order interactions assists in not only identifying the most important nodes but also distinguishing nodes that ranked in the middle and bottom. Our method outperforms classical centralities in identifying vital nodes and can scale to various tasks in networks, including information spread maximization and network dismantling problems. The proposed higher-order representation and the random walk model provide novel insights and potent tools for studying higher-order mechanisms and functionality.

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We study the properties of conformal prediction for network data under various sampling mechanisms that commonly arise in practice but often result in a non-representative sample of nodes. We interpret these sampling mechanisms as selection rules applied to a superpopulation and study the validity of conformal prediction conditional on an appropriate selection event. We show that the sampled subarray is exchangeable conditional on the selection event if the selection rule satisfies a permutation invariance property and a joint exchangeability condition holds for the superpopulation. Our result implies the finite-sample validity of conformal prediction for certain selection events related to ego networks and snowball sampling. We also show that when data are sampled via a random walk on a graph, a variant of weighted conformal prediction yields asymptotically valid prediction sets for an independently selected node from the population.

This work concerns developing communication- and computation-efficient methods for large-scale multiple testing over networks, which is of interest to many practical applications. We take an asymptotic approach and propose two methods, proportion-matching and greedy aggregation, tailored to distributed settings. The proportion-matching method achieves the global BH performance yet only requires a one-shot communication of the (estimated) proportion of true null hypotheses as well as the number of p-values at each node. By focusing on the asymptotic optimal power, we go beyond the BH procedure by providing an explicit characterization of the asymptotic optimal solution. This leads to the greedy aggregation method that effectively approximates the optimal rejection regions at each node, while computation efficiency comes from the greedy-type approach naturally. Moreover, for both methods, we provide the rate of convergence for both the FDR and power. Extensive numerical results over a variety of challenging settings are provided to support our theoretical findings.

It is a big challenge to develop efficient models for identifying personalized drug targets (PDTs) from high-dimensional personalized genomic profile of individual patients. Recent structural network control principles have introduced a new approach to discover PDTs by selecting an optimal set of driver genes in personalized gene interaction network (PGIN). However, most of current methods only focus on controlling the system through a minimum driver-node set and ignore the existence of multiple candidate driver-node sets for therapeutic drug target identification in PGIN. Therefore, this paper proposed multi-objective optimization-based structural network control principles (MONCP) by considering minimum driver nodes and maximum prior-known drug-target information. To solve MONCP, a discrete multi-objective optimization problem is formulated with many constrained variables, and a novel evolutionary optimization model called LSCV-MCEA was developed by adapting a multi-tasking framework and a rankings-based fitness function method. With genomics data of patients with breast or lung cancer from The Cancer Genome Atlas database, the effectiveness of LSCV-MCEA was validated. The experimental results indicated that compared with other advanced methods, LSCV-MCEA can more effectively identify PDTs with the highest Area Under the Curve score for predicting clinically annotated combinatorial drugs. Meanwhile, LSCV-MCEA can more effectively solve MONCP than other evolutionary optimization methods in terms of algorithm convergence and diversity. Particularly, LSCV-MCEA can efficiently detect disease signals for individual patients with BRCA cancer. The study results show that multi-objective optimization can solve structural network control principles effectively and offer a new perspective for understanding tumor heterogeneity in cancer precision medicine.

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.

Analyzing observational data from multiple sources can be useful for increasing statistical power to detect a treatment effect; however, practical constraints such as privacy considerations may restrict individual-level information sharing across data sets. This paper develops federated methods that only utilize summary-level information from heterogeneous data sets. Our federated methods provide doubly-robust point estimates of treatment effects as well as variance estimates. We derive the asymptotic distributions of our federated estimators, which are shown to be asymptotically equivalent to the corresponding estimators from the combined, individual-level data. We show that to achieve these properties, federated methods should be adjusted based on conditions such as whether models are correctly specified and stable across heterogeneous data sets.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges, because subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SUB-GNN, a subgraph neural network to learn disentangled subgraph representations. In particular, we propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SUB-GNN specifies three channels, each designed to capture a distinct aspect of subgraph structure, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SUB-GNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 12.4% over the strongest baseline. SUB-GNN performs exceptionally well on challenging biomedical datasets when subgraphs have complex topology and even comprise multiple disconnected components.

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism, which prevents the model from obtaining adequate global information. In order to increase the receptive field, we propose a novel deep Hierarchical Graph Convolutional Network (H-GCN) for semi-supervised node classification. H-GCN first repeatedly aggregates structurally similar nodes to hyper-nodes and then refines the coarsened graph to the original to restore the representation for each node. Instead of merely aggregating one- or two-hop neighborhood information, the proposed coarsening procedure enlarges the receptive field for each node, hence more global information can be learned. Comprehensive experiments conducted on public datasets demonstrate the effectiveness of the proposed method over the state-of-art methods. Notably, our model gains substantial improvements when only a few labeled samples are provided.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

This paper describes a general framework for learning Higher-Order Network Embeddings (HONE) from graph data based on network motifs. The HONE framework is highly expressive and flexible with many interchangeable components. The experimental results demonstrate the effectiveness of learning higher-order network representations. In all cases, HONE outperforms recent embedding methods that are unable to capture higher-order structures with a mean relative gain in AUC of $19\%$ (and up to $75\%$ gain) across a wide variety of networks and embedding methods.

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