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arXiv:2211.16331 · Scientific Reports

On the complexity of quantum link prediction in complex networks

João P. Moutinho, Duarte Magano, Bruno Coelho Coutinho

Published Jan 10, 2024• 12 citations
arXivHTMLPDF

Abstract

Link prediction methods use patterns in known network data to infer which connections may be missing. Previous work has shown that continuous-time quantum walks can be used to represent path-based link prediction, which we further study here to develop a more optimized quantum algorithm. Using a sampling framework for link prediction, we analyze the query access to the input network required to produce a certain number of prediction samples. Considering both well-known classical path-based algorithms using powers of the adjacency matrix as well as our proposed quantum algorithm for path-based link prediction, we argue that there is a polynomial quantum advantage on the dependence on N, the number of nodes in the network. We further argue that the complexity of our algorithm, although sub-linear in N, is limited by the complexity of performing a quantum simulation of the network's adjacency matrix, which may prove to be an important problem in the development of quantum algorithms for network science in general.

DOI
10.1038/s41598-023-49906-4

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Link prediction methods use patterns in known network data to infer which connections may be missing. Previous work has shown that continuous-time quantum walks can be used to represent path-based link prediction, which we further study here to develop a more optimized quantum algorithm. Using a sampling framework for link prediction, we analyze the query access to the input network required to produce a certain number of prediction samples. Considering both well-known classical path-based algorithms using powers of the adjacency matrix as well as our proposed quantum algorithm for path-based link prediction, we argue that there is a polynomial quantum advantage on the dependence on N, the number of nodes in the network. We further argue that the complexity of our algorithm, although sub-linear in N, is limited by the complexity of performing a quantum simulation of the network's adjacency matrix, which may prove to be an important problem in the development of quantum algorithms for network science in general.
Quantum walks provide a natural framework to approach graph problems with quantum computers, exhibiting speedups over their classical counterparts for tasks such as the search for marked nodes or the prediction of missing links. Continuous-time quantum walk algorithms assume that we can simulate the dynamics of quantum systems where the Hamiltonian is given by the adjacency matrix of the graph. It is known that such can be simulated efficiently if the underlying graph is row-sparse and efficiently row-computable. While this is sufficient for many applications, it limits the applicability for this class of algorithms to study real world complex networks, which, among other properties, are characterized by the existence of a few densely connected nodes, called hubs. In other words, complex networks are typically not row-sparse, even though the average connectivity over all nodes can be very small. In this work, we extend the state-of-the-art results on quantum simulation to graphs that contain a small number of hubs, but that are otherwise sparse. Hopefully, our results may lead to new applications of quantum computing to network science.
Predicting new links in physical, biological, social, or technological networks has a significant scientific and societal impact. Path-based link prediction methods utilize the explicit counting of even- and odd-length paths between nodes to quantify a score function and infer new or unobserved links. Here, we propose a quantum algorithm for path-based link prediction using a controlled continuous-time quantum walk to encode even and odd path-based prediction scores. Through classical simulations on a few real networks, we confirm that the quantum walk scoring function performs similarly to other path-based link predictors. In a brief complexity analysis we identify the potential of our approach in uncovering a quantum speedup for path-based link prediction.
Predicting new links in physical, biological, social, or technological networks has a significant scientific and societal impact. Path-based link prediction methods utilize explicit counting of even and odd-length paths between nodes to quantify a score function and infer new or unobserved links. Here, we propose a quantum algorithm for path-based link prediction, QLP, using a controlled continuous-time quantum walk to encode even and odd path-based prediction scores. Through classical simulations on a few real networks, we confirm that the quantum walk scoring function performs similarly to other path-based link predictors. In a brief complexity analysis we identify the potential of our approach in uncovering a quantum speedup for path-based link prediction.
The quantum query complexity of subgraph-containment problems, which ask whether a given subgraph HHH is present in an input graph GGG, has been the subject of considerable study. However, even for relatively simple subgraphs, such as paths and cycles, a complete understanding of their query complexities remains elusive. In this work, we consider several variants of path- and cycle-containment problems in the adjacency matrix model, where we search for paths or cycles of constant length kkk. We compare the settings where the graphs are directed or undirected, where the goal is to detect or find the existence of a path/cycle, and where the path/cycle we are looking for has length exactly kkk, or at most kkk. We also consider several promise versions of these problems, where we suppose that the input graph has a certain structure. We characterize the relative difficulty of these variants of the path/cycle-containment problems, by relating them to one another using randomized reductions, and grouping them into equivalence classes. When we restrict our attention to path-containment problems, we get a dichotomy result. Some of the path-containment problems can be solved using a linear number of queries, and all the others are equivalent to one another (and additionally to several cycle-containment problems) under randomized reductions, up to constant overhead. For the latter equivalence class, we prove a novel quantum-walk-based algorithm that achieves query complexity O~(n3/2−αk)\widetilde{O}(n^{3/2-α_k})O(n3/2−αk​), where αk∈Θ(c−k)α_k \in Θ(c^{-k})αk​∈Θ(c−k) and c=3+17/2≈1.33c = \sqrt{3+\sqrt{17}}/2 \approx 1.33c=3+17​​/2≈1.33, beating the previous best upper bound O(n3/2)O(n^{3/2})O(n3/2) on its query complexity. We also provide a conditional lower bound based on the graph-collision problem, which implies that this equivalence class does not admit linear-query quantum algorithms unless graph collision admits an O(n)O(\sqrt{n})O(n​) query algorithm.
Prediction of missing links is an important part of many applications, such as friends' recommendations on social media, reduction of economic cost of protein functional modular mining, and implementation of accurate recommendations in the shopping platform. However, the existing algorithms for predicting missing links fall short in the accuracy and the efficiency. To ameliorate these, we propose a simplified quantum walk model whose Hilbert space dimension is only twice the number of nodes in a complex network. This property facilitates simultaneous consideration of the self-loop of each node and the common neighbour information between arbitrary pair of nodes. These effects decrease the negative effect generated by the interference effect in quantum walks while also recording the similarity between nodes and its neighbours. Consequently, the observed probability after the two-step walk is utilised to represent the score of each link as a missing link, by which extensive computations are omitted. Using the AUC index as a performance metric, the proposed model records the highest average accuracy in the prediction of missing links compared to 14 competing algorithms in nine real complex networks. Furthermore, experiments using the precision index show that our proposed model ranks in the first echelon in predicting missing links. These performances indicate the potential of our simplified quantum walk model for applications in network alignment and functional modular mining of protein-protein networks.
Link prediction is a fundamental task in network science that involves estimating the likelihood of missing or future connections between nodes based on the structural patterns of a graph. While Graph Neural Networks (GNNs) have become a dominant approach, Random Walk (RW)-based methods remain highly relevant due to their lower computational demands in large-scale networks. Although recent hybrid quantum-classical walks have shown promise in exploring graph structures, existing continuous-time models are computationally expensive as they require solving high-dimensional systems of differential equations. In this paper, we propose a discrete version of a recent hybrid quantum-classical random walk algorithm that significantly improves computational efficiency by utilizing state vector representations instead of density matrices. Our method, inspired by the Quantum Jumps approach, alternates between coherent evolution and measurement-driven state collapse to generate trajectories for node embeddings. We integrate this algorithm into a link prediction pipeline and evaluate its performance across various synthetic topologies, including Grid, Power-Law, Erdös-Rényi, Barabási-Albert, and Community graphs. The experimental results demonstrate that the proposed discrete hybrid walks consistently outperform classical random walk approaches in Community and Grid topologies, showing that quantum-inspired dynamics can capture complex structural information more effectively than classical dynamics for specific topologies.