We present three quantum algorithms for clustering graphs based on higher-order patterns, known as motif clustering. One uses a straightforward application of Grover search, the other two make use of quantum approximate counting, and all of them obtain square-root like speedups over the fastest classical algorithms in various settings. In order to use approximate counting in the context of clustering, we show that for general weighted graphs the performance of spectral clustering is mostly left unchanged by the presence of constant (relative) errors on the edge weights. Finally, we extend the original analysis of motif clustering in order to better understand the role of multiple `anchor nodes' in motifs and the types of relationships that this method of clustering can and cannot capture.
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Latent dynamical models are commonly used to learn the distribution of a latent dynamical process that represents a sequence of noisy data samples. However, producing samples from such models with high fidelity is challenging due to the complexity and variability of latent and observation dynamics. Recent advances in diffusion-based generative models, such as DDPM and NCSN, have shown promising alternatives to state-of-the-art latent generative models, such as Neural ODEs, RNNs, and Normalizing flow networks, for generating high-quality sequential samples from a prior distribution. However, their application in modeling sequential data with latent dynamical models is yet to be explored. Here, we propose a novel latent variable model named latent dynamical implicit diffusion processes (LDIDPs), which utilizes implicit diffusion processes to sample from dynamical latent processes and generate sequential observation samples accordingly. We tested LDIDPs on synthetic and simulated neural decoding problems. We demonstrate that LDIDPs can accurately learn the dynamics over latent dimensions. Furthermore, the implicit sampling method allows for the computationally efficient generation of high-quality sequential data samples from the latent and observation spaces.
When solving noisy linear systems Ax = b + c, the theoretical and empirical performance of stochastic iterative methods, such as the Randomized Kaczmarz algorithm, depends on the noise level. However, if there are a small number of highly corrupt measurements, one can instead use quantile-based methods to guarantee convergence to the solution x of the system, despite the presence of noise. Such methods require the computation of the entire residual vector, which may not be desirable or even feasible in some cases. In this work, we analyze the sub-sampled quantile Randomized Kaczmarz (sQRK) algorithm for solving large-scale linear systems which utilize a sub-sampled residual to approximate the quantile threshold. We prove that this method converges to the unique solution to the linear system and provide numerical experiments that support our theoretical findings. We additionally remark on the extremely small sample size case and demonstrate the importance of interplay between the choice of quantile and subset size.
The shortest path problem in graphs is fundamental to AI. Nearly all variants of the problem and relevant algorithms that solve them ignore edge-weight computation time and its common relation to weight uncertainty. This implies that taking these factors into consideration can potentially lead to a performance boost in relevant applications. Recently, a generalized framework for weighted directed graphs was suggested, where edge-weight can be computed (estimated) multiple times, at increasing accuracy and run-time expense. We build on this framework to introduce the problem of finding the tightest admissible shortest path (TASP); a path with the tightest suboptimality bound on the optimal cost. This is a generalization of the shortest path problem to bounded uncertainty, where edge-weight uncertainty can be traded for computational cost. We present a complete algorithm for solving TASP, with guarantees on solution quality. Empirical evaluation supports the effectiveness of this approach.
Multidimensional scaling (MDS) is a widely used approach to representing high-dimensional, dependent data. MDS works by assigning each observation a location on a low-dimensional geometric manifold, with distance on the manifold representing similarity. We propose a Bayesian approach to multidimensional scaling when the low-dimensional manifold is hyperbolic. Using hyperbolic space facilitates representing tree-like structures common in many settings (e.g. text or genetic data with hierarchical structure). A Bayesian approach provides regularization that minimizes the impact of measurement error in the observed data and assesses uncertainty. We also propose a case-control likelihood approximation that allows for efficient sampling from the posterior distribution in larger data settings, reducing computational complexity from approximately $O(n^2)$ to $O(n)$. We evaluate the proposed method against state-of-the-art alternatives using simulations, canonical reference datasets, Indian village network data, and human gene expression data.
In recent years, there has been a surge in effort to formalize notions of fairness in machine learning. We focus on clustering -- one of the fundamental tasks in unsupervised machine learning. We propose a new axiom ``proportional representation fairness'' (PRF) that is designed for clustering problems where the selection of centroids reflects the distribution of data points and how tightly they are clustered together. Our fairness concept is not satisfied by existing fair clustering algorithms. We design efficient algorithms to achieve PRF both for unconstrained and discrete clustering problems. Our algorithm for the unconstrained setting is also the first known polynomial-time approximation algorithm for the well-studied Proportional Fairness (PF) axiom (Chen, Fain, Lyu, and Munagala, ICML, 2019). Our algorithm for the discrete setting also matches the best known approximation factor for PF.
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.
Existing Collaborative Filtering (CF) methods are mostly designed based on the idea of matching, i.e., by learning user and item embeddings from data using shallow or deep models, they try to capture the associative relevance patterns in data, so that a user embedding can be matched with relevant item embeddings using designed or learned similarity functions. However, as a cognition rather than a perception intelligent task, recommendation requires not only the ability of pattern recognition and matching from data, but also the ability of cognitive reasoning in data. In this paper, we propose to advance Collaborative Filtering (CF) to Collaborative Reasoning (CR), which means that each user knows part of the reasoning space, and they collaborate for reasoning in the space to estimate preferences for each other. Technically, we propose a Neural Collaborative Reasoning (NCR) framework to bridge learning and reasoning. Specifically, we integrate the power of representation learning and logical reasoning, where representations capture similarity patterns in data from perceptual perspectives, and logic facilitates cognitive reasoning for informed decision making. An important challenge, however, is to bridge differentiable neural networks and symbolic reasoning in a shared architecture for optimization and inference. To solve the problem, we propose a modularized reasoning architecture, which learns logical operations such as AND ($\wedge$), OR ($\vee$) and NOT ($\neg$) as neural modules for implication reasoning ($\rightarrow$). In this way, logical expressions can be equivalently organized as neural networks, so that logical reasoning and prediction can be conducted in a continuous space. Experiments on real-world datasets verified the advantages of our framework compared with both shallow, deep and reasoning models.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
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.
We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.
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