Consider an agent exploring an unknown graph in search of some goal state. As it walks around the graph, it learns the nodes and their neighbors. The agent only knows where the goal state is when it reaches it. How do we reach this goal while moving only a small distance? This problem seems hopeless, even on trees of bounded degree, unless we give the agent some help. This setting with ''help'' often arises in exploring large search spaces (e.g., huge game trees) where we assume access to some score/quality function for each node, which we use to guide us towards the goal. In our case, we assume the help comes in the form of distance predictions: each node $v$ provides a prediction $f(v)$ of its distance to the goal vertex. Naturally if these predictions are correct, we can reach the goal along a shortest path. What if the predictions are unreliable and some of them are erroneous? Can we get an algorithm whose performance relates to the error of the predictions? In this work, we consider the problem on trees and give deterministic algorithms whose total movement cost is only $O(OPT + \Delta \cdot ERR)$, where $OPT$ is the distance from the start to the goal vertex, $\Delta$ the maximum degree, and the $ERR$ is the total number of vertices whose predictions are erroneous. We show this guarantee is optimal. We then consider a ''planning'' version of the problem where the graph and predictions are known at the beginning, so the agent can use this global information to devise a search strategy of low cost. For this planning version, we go beyond trees and give an algorithms which gets good performance on (weighted) graphs with bounded doubling dimension.
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Community search over bipartite graphs has attracted significant interest recently. In many applications such as user-item bipartite graph in E-commerce, customer-movie bipartite graph in movie rating website, nodes tend to have attributes, while previous community search algorithm on bipartite graphs ignore attributes, which makes the returned results with poor cohesion with respect to their node attributes. In this paper, we study the community search problem on attributed bipartite graphs. Given a query vertex q, we aim to find attributed $\left(\alpha,\beta\right)$-communities of $G$, where the structure cohesiveness of the community is described by an $\left(\alpha,\beta\right)$-core model, and the attribute similarity of two groups of nodes in the subgraph is maximized. In order to retrieve attributed communities from bipartite graphs, we first propose a basic algorithm composed of two steps: the generation and verification of candidate keyword sets, and then two improved query algorithms Inc and Dec are proposed. Inc is proposed considering the anti-monotonity property of attributed bipartite graphs, then we adopt different generating method and verifying order of candidate keyword sets and propose the Dec algorithm. After evaluating our solutions on eight large graphs, the experimental results demonstrate that our methods are effective and efficient in querying the attributed communities on bipartite graphs.
We present a novel graph neural network we call AgentNet, which is designed specifically for graph-level tasks. AgentNet is inspired by sublinear algorithms, featuring a computational complexity that is independent of the graph size. The architecture of AgentNet differs fundamentally from the architectures of traditional graph neural networks. In AgentNet, some trained \textit{neural agents} intelligently walk the graph, and then collectively decide on the output. We provide an extensive theoretical analysis of AgentNet: We show that the agents can learn to systematically explore their neighborhood and that AgentNet can distinguish some structures that are even indistinguishable by 2-WL. Moreover, AgentNet is able to separate any two graphs which are sufficiently different in terms of subgraphs. We confirm these theoretical results with synthetic experiments on hard-to-distinguish graphs and real-world graph classification tasks. In both cases, we compare favorably not only to standard GNNs but also to computationally more expensive GNN extensions.
A fundamental question in reinforcement learning theory is: suppose the optimal value functions are linear in given features, can we learn them efficiently? This problem's counterpart in supervised learning, linear regression, can be solved both statistically and computationally efficiently. Therefore, it was quite surprising when a recent work \cite{kane2022computational} showed a computational-statistical gap for linear reinforcement learning: even though there are polynomial sample-complexity algorithms, unless NP = RP, there are no polynomial time algorithms for this setting. In this work, we build on their result to show a computational lower bound, which is exponential in feature dimension and horizon, for linear reinforcement learning under the Randomized Exponential Time Hypothesis. To prove this we build a round-based game where in each round the learner is searching for an unknown vector in a unit hypercube. The rewards in this game are chosen such that if the learner achieves large reward, then the learner's actions can be used to simulate solving a variant of 3-SAT, where (a) each variable shows up in a bounded number of clauses (b) if an instance has no solutions then it also has no solutions that satisfy more than (1-$\epsilon$)-fraction of clauses. We use standard reductions to show this 3-SAT variant is approximately as hard as 3-SAT. Finally, we also show a lower bound optimized for horizon dependence that almost matches the best known upper bound of $\exp(\sqrt{H})$.
Sequential recommendation aims to leverage users' historical behaviors to predict their next interaction. Existing works have not yet addressed two main challenges in sequential recommendation. First, user behaviors in their rich historical sequences are often implicit and noisy preference signals, they cannot sufficiently reflect users' actual preferences. In addition, users' dynamic preferences often change rapidly over time, and hence it is difficult to capture user patterns in their historical sequences. In this work, we propose a graph neural network model called SURGE (short for SeqUential Recommendation with Graph neural nEtworks) to address these two issues. Specifically, SURGE integrates different types of preferences in long-term user behaviors into clusters in the graph by re-constructing loose item sequences into tight item-item interest graphs based on metric learning. This helps explicitly distinguish users' core interests, by forming dense clusters in the interest graph. Then, we perform cluster-aware and query-aware graph convolutional propagation and graph pooling on the constructed graph. It dynamically fuses and extracts users' current activated core interests from noisy user behavior sequences. We conduct extensive experiments on both public and proprietary industrial datasets. Experimental results demonstrate significant performance gains of our proposed method compared to state-of-the-art methods. Further studies on sequence length confirm that our method can model long behavioral sequences effectively and efficiently.
The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.
The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.
The recent proliferation of knowledge graphs (KGs) coupled with incomplete or partial information, in the form of missing relations (links) between entities, has fueled a lot of research on knowledge base completion (also known as relation prediction). Several recent works suggest that convolutional neural network (CNN) based models generate richer and more expressive feature embeddings and hence also perform well on relation prediction. However, we observe that these KG embeddings treat triples independently and thus fail to cover the complex and hidden information that is inherently implicit in the local neighborhood surrounding a triple. To this effect, our paper proposes a novel attention based feature embedding that captures both entity and relation features in any given entity's neighborhood. Additionally, we also encapsulate relation clusters and multihop relations in our model. Our empirical study offers insights into the efficacy of our attention based model and we show marked performance gains in comparison to state of the art methods on all datasets.
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.
The potential of graph convolutional neural networks for the task of zero-shot learning has been demonstrated recently. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, knowledge from distant nodes can get diluted when propagating through intermediate nodes, because current approaches to zero-shot learning use graph propagation schemes that perform Laplacian smoothing at each layer. We show that extensive smoothing does not help the task of regressing classifier weights in zero-shot learning. In order to still incorporate information from distant nodes and utilize the graph structure, we propose an Attentive Dense Graph Propagation Module (ADGPM). ADGPM allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants and an attention scheme is further used to weigh their contribution depending on the distance to the node. Finally, we illustrate that finetuning of the feature representation after training the ADGPM leads to considerable improvements. Our method achieves competitive results, outperforming previous zero-shot learning approaches.
Traditional methods for link prediction can be categorized into three main types: graph structure feature-based, latent feature-based, and explicit feature-based. Graph structure feature methods leverage some handcrafted node proximity scores, e.g., common neighbors, to estimate the likelihood of links. Latent feature methods rely on factorizing networks' matrix representations to learn an embedding for each node. Explicit feature methods train a machine learning model on two nodes' explicit attributes. Each of the three types of methods has its unique merits. In this paper, we propose SEAL (learning from Subgraphs, Embeddings, and Attributes for Link prediction), a new framework for link prediction which combines the power of all the three types into a single graph neural network (GNN). GNN is a new type of neural network which directly accepts graphs as input and outputs their labels. In SEAL, the input to the GNN is a local subgraph around each target link. We prove theoretically that our local subgraphs also reserve a great deal of high-order graph structure features related to link existence. Another key feature is that our GNN can naturally incorporate latent features and explicit features. It is achieved by concatenating node embeddings (latent features) and node attributes (explicit features) in the node information matrix for each subgraph, thus combining the three types of features to enhance GNN learning. Through extensive experiments, SEAL shows unprecedentedly strong performance against a wide range of baseline methods, including various link prediction heuristics and network embedding methods.
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