arXiv subjects

Guillaume Rabusseau

Publications and source records attributed to Guillaume Rabusseau.

At least 55 records · Page 3Linked to original sources

arXiv2023

Temporal Graph Benchmark for Machine Learning on Temporal Graphs

We present the Temporal Graph Benchmark (TGB), a collection of challenging and diverse benchmark datasets for realistic, reproducible, and robust evaluation of machine learning models on temporal graphs. TGB datasets are of large scale, spanning years in duration, incorporate both node and edge-level prediction tasks and cover a diverse set of domains including social, trade, transaction, and transportation networks. For both tasks, we design evaluation protocols based on realistic use-cases. We extensively benchmark each dataset and find that the performance of common models can vary drastically across datasets. In addition, on dynamic node property prediction tasks, we show that simple methods often achieve superior performance compared to existing temporal graph models. We believe that these findings open up opportunities for future research on temporal graphs. Finally, TGB provides an automated machine learning pipeline for reproducible and accessible temporal graph research, including data loading, experiment setup and performance evaluation. TGB will be maintained and updated on a regular basis and welcomes community feedback. TGB datasets, data loaders, example codes, evaluation setup, and leaderboards are publicly available at https://tgb.complexdatalab.com/.

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arXiv2023

Optimal Approximate Minimization of One-Letter Weighted Finite Automata

In this paper, we study the approximate minimization problem of weighted finite automata (WFAs): to compute the best possible approximation of a WFA given a bound on the number of states. By reformulating the problem in terms of Hankel matrices, we leverage classical results on the approximation of Hankel operators, namely the celebrated Adamyan-Arov-Krein (AAK) theory. We solve the optimal spectral-norm approximate minimization problem for irredundant WFAs with real weights, defined over a one-letter alphabet. We present a theoretical analysis based on AAK theory, and bounds on the quality of the approximation in the spectral norm and $\ell^2$ norm. Moreover, we provide a closed-form solution, and an algorithm, to compute the optimal approximation of a given size in polynomial time.

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arXiv2023

Fast and Attributed Change Detection on Dynamic Graphs with Density of States

How can we detect traffic disturbances from international flight transportation logs or changes to collaboration dynamics in academic networks? These problems can be formulated as detecting anomalous change points in a dynamic graph. Current solutions do not scale well to large real-world graphs, lack robustness to large amounts of node additions/deletions, and overlook changes in node attributes. To address these limitations, we propose a novel spectral method: Scalable Change Point Detection (SCPD). SCPD generates an embedding for each graph snapshot by efficiently approximating the distribution of the Laplacian spectrum at each step. SCPD can also capture shifts in node attributes by tracking correlations between attributes and eigenvectors. Through extensive experiments using synthetic and real-world data, we show that SCPD (a) achieves state-of-the art performance, (b) is significantly faster than the state-of-the-art methods and can easily process millions of edges in a few CPU minutes, (c) can effectively tackle a large quantity of node attributes, additions or deletions and (d) discovers interesting events in large real-world graphs. The code is publicly available at https://github.com/shenyangHuang/SCPD.git

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arXiv2023

Laplacian Change Point Detection for Single and Multi-view Dynamic Graphs

Dynamic graphs are rich data structures that are used to model complex relationships between entities over time. In particular, anomaly detection in temporal graphs is crucial for many real world applications such as intrusion identification in network systems, detection of ecosystem disturbances and detection of epidemic outbreaks. In this paper, we focus on change point detection in dynamic graphs and address three main challenges associated with this problem: i). how to compare graph snapshots across time, ii). how to capture temporal dependencies, and iii). how to combine different views of a temporal graph. To solve the above challenges, we first propose Laplacian Anomaly Detection (LAD) which uses the spectrum of graph Laplacian as the low dimensional embedding of the graph structure at each snapshot. LAD explicitly models short term and long term dependencies by applying two sliding windows. Next, we propose MultiLAD, a simple and effective generalization of LAD to multi-view graphs. MultiLAD provides the first change point detection method for multi-view dynamic graphs. It aggregates the singular values of the normalized graph Laplacian from different views through the scalar power mean operation. Through extensive synthetic experiments, we show that i). LAD and MultiLAD are accurate and outperforms state-of-the-art baselines and their multi-view extensions by a large margin, ii). MultiLAD's advantage over contenders significantly increases when additional views are available, and iii). MultiLAD is highly robust to noise from individual views. In five real world dynamic graphs, we demonstrate that LAD and MultiLAD identify significant events as top anomalies such as the implementation of government COVID-19 interventions which impacted the population mobility in multi-view traffic networks.

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arXiv2022

Sequential Density Estimation via Nonlinear Continuous Weighted Finite Automata

Weighted finite automata (WFAs) have been widely applied in many fields. One of the classic problems for WFAs is probability distribution estimation over sequences of discrete symbols. Although WFAs have been extended to deal with continuous input data, namely continuous WFAs (CWFAs), it is still unclear how to approximate density functions over sequences of continuous random variables using WFA-based models, due to the limitation on the expressiveness of the model as well as the tractability of approximating density functions via CWFAs. In this paper, we propose a nonlinear extension to the CWFA model to first improve its expressiveness, we refer to it as the nonlinear continuous WFAs (NCWFAs). Then we leverage the so-called RNADE method, which is a well-known density estimator based on neural networks, and propose the RNADE-NCWFA model. The RNADE-NCWFA model computes a density function by design. We show that this model is strictly more expressive than the Gaussian HMM model, which CWFA cannot approximate. Empirically, we conduct a synthetic experiment using Gaussian HMM generated data. We focus on evaluating the model's ability to estimate densities for sequences of varying lengths (longer length than the training data). We observe that our model performs the best among the compared baseline methods.

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arXiv2022

Spectral Regularization: an Inductive Bias for Sequence Modeling

Various forms of regularization in learning tasks strive for different notions of simplicity. This paper presents a spectral regularization technique, which attaches a unique inductive bias to sequence modeling based on an intuitive concept of simplicity defined in the Chomsky hierarchy. From fundamental connections between Hankel matrices and regular grammars, we propose to use the trace norm of the Hankel matrix, the tightest convex relaxation of its rank, as the spectral regularizer. To cope with the fact that the Hankel matrix is bi-infinite, we propose an unbiased stochastic estimator for its trace norm. Ultimately, we demonstrate experimental results on Tomita grammars, which exhibit the potential benefits of spectral regularization and validate the proposed stochastic estimator.

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arXiv2022

High-Order Pooling for Graph Neural Networks with Tensor Decomposition

Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures usually adopt simple pooling operations (eg. sum, average, max) when aggregating messages from a local neighborhood for updating node representation or pooling node representations from the entire graph to compute the graph representation. Though simple and effective, these linear operations do not model high-order non-linear interactions among nodes. We propose the Tensorized Graph Neural Network (tGNN), a highly expressive GNN architecture relying on tensor decomposition to model high-order non-linear node interactions. tGNN leverages the symmetric CP decomposition to efficiently parameterize permutation-invariant multilinear maps for modeling node interactions. Theoretical and empirical analysis on both node and graph classification tasks show the superiority of tGNN over competitive baselines. In particular, tGNN achieves the most solid results on two OGB node classification datasets and one OGB graph classification dataset.

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arXiv2022

Towards an AAK Theory Approach to Approximate Minimization in the Multi-Letter Case

We study the approximate minimization problem of weighted finite automata (WFAs): given a WFA, we want to compute its optimal approximation when restricted to a given size. We reformulate the problem as a rank-minimization task in the spectral norm, and propose a framework to apply Adamyan-Arov-Krein (AAK) theory to the approximation problem. This approach has already been successfully applied to the case of WFAs and language modelling black boxes over one-letter alphabets \citep{AAK-WFA,AAK-RNN}. Extending the result to multi-letter alphabets requires solving the following two steps. First, we need to reformulate the approximation problem in terms of noncommutative Hankel operators and noncommutative functions, in order to apply results from multivariable operator theory. Secondly, to obtain the optimal approximation we need a version of noncommutative AAK theory that is constructive. In this paper, we successfully tackle the first step, while the second challenge remains open.

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arXiv2022

Rademacher Random Projections with Tensor Networks

Random projection (RP) have recently emerged as popular techniques in the machine learning community for their ability in reducing the dimension of very high-dimensional tensors. Following the work in [30], we consider a tensorized random projection relying on Tensor Train (TT) decomposition where each element of the core tensors is drawn from a Rademacher distribution. Our theoretical results reveal that the Gaussian low-rank tensor represented in compressed form in TT format in [30] can be replaced by a TT tensor with core elements drawn from a Rademacher distribution with the same embedding size. Experiments on synthetic data demonstrate that tensorized Rademacher RP can outperform the tensorized Gaussian RP studied in [30]. In addition, we show both theoretically and experimentally, that the tensorized RP in the Matrix Product Operator (MPO) format is not a Johnson-Lindenstrauss transform (JLT) and therefore not a well-suited random projection map

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arXiv2022

Connecting Weighted Automata, Tensor Networks and Recurrent Neural Networks through Spectral Learning

In this paper, we present connections between three models used in different research fields: weighted finite automata~(WFA) from formal languages and linguistics, recurrent neural networks used in machine learning, and tensor networks which encompasses a set of optimization techniques for high-order tensors used in quantum physics and numerical analysis. We first present an intrinsic relation between WFA and the tensor train decomposition, a particular form of tensor network. This relation allows us to exhibit a novel low rank structure of the Hankel matrix of a function computed by a WFA and to design an efficient spectral learning algorithm leveraging this structure to scale the algorithm up to very large Hankel matrices.We then unravel a fundamental connection between WFA and second-orderrecurrent neural networks~(2-RNN): in the case of sequences of discrete symbols, WFA and 2-RNN with linear activationfunctions are expressively equivalent. Leveraging this equivalence result combined with the classical spectral learning algorithm for weighted automata, we introduce the first provable learning algorithm for linear 2-RNN defined over sequences of continuous input vectors.This algorithm relies on estimating low rank sub-blocks of the Hankel tensor, from which the parameters of a linear 2-RNN can be provably recovered. The performances of the proposed learning algorithm are assessed in a simulation study on both synthetic and real-world data.

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arXiv2021

Extracting Weighted Automata for Approximate Minimization in Language Modelling

In this paper we study the approximate minimization problem for language modelling. We assume we are given some language model as a black box. The objective is to obtain a weighted finite automaton (WFA) that fits within a given size constraint and which mimics the behaviour of the original model while minimizing some notion of distance between the black box and the extracted WFA. We provide an algorithm for the approximate minimization of black boxes trained for language modelling of sequential data over a one-letter alphabet. By reformulating the problem in terms of Hankel matrices, we leverage classical results on the approximation of Hankel operators, namely the celebrated Adamyan-Arov-Krein (AAK) theory. This allows us to use the spectral norm to measure the distance between the black box and the WFA. We provide theoretical guarantees to study the potentially infinite-rank Hankel matrix of the black box, without accessing the training data, and we prove that our method returns an asymptotically-optimal approximation.

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arXiv2021

Adaptive Learning of Tensor Network Structures

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models such as Tucker, tensor train (TT) and tensor ring (TR). However, identifying the best tensor network structure from data for a given task is challenging. In this work, we leverage the TN formalism to develop a generic and efficient adaptive algorithm to jointly learn the structure and the parameters of a TN from data. Our method is based on a simple greedy approach starting from a rank one tensor and successively identifying the most promising tensor network edges for small rank increments. Our algorithm can adaptively identify TN structures with small number of parameters that effectively optimize any differentiable objective function. Experiments on tensor decomposition, tensor completion and model compression tasks demonstrate the effectiveness of the proposed algorithm. In particular, our method outperforms the state-of-the-art evolutionary topology search [Li and Sun, 2020] for tensor decomposition of images (while being orders of magnitude faster) and finds efficient tensor network structures to compress neural networks outperforming popular TT based approaches [Novikov et al., 2015].

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arXiv2021

Lower and Upper Bounds on the VC-Dimension of Tensor Network Models

Tensor network methods have been a key ingredient of advances in condensed matter physics and have recently sparked interest in the machine learning community for their ability to compactly represent very high-dimensional objects. Tensor network methods can for example be used to efficiently learn linear models in exponentially large feature spaces [Stoudenmire and Schwab, 2016]. In this work, we derive upper and lower bounds on the VC dimension and pseudo-dimension of a large class of tensor network models for classification, regression and completion. Our upper bounds hold for linear models parameterized by arbitrary tensor network structures, and we derive lower bounds for common tensor decomposition models~(CP, Tensor Train, Tensor Ring and Tucker) showing the tightness of our general upper bound. These results are used to derive a generalization bound which can be applied to classification with low rank matrices as well as linear classifiers based on any of the commonly used tensor decomposition models. As a corollary of our results, we obtain a bound on the VC dimension of the matrix product state classifier introduced in [Stoudenmire and Schwab, 2016] as a function of the so-called bond dimension~(i.e. tensor train rank), which answers an open problem listed by Cirac, Garre-Rubio and Pérez-García in [Cirac et al., 2019].

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arXiv2021

Assessing the Impact: Does an Improvement to a Revenue Management System Lead to an Improved Revenue?

Airlines and other industries have been making use of sophisticated Revenue Management Systems to maximize revenue for decades. While improving the different components of these systems has been the focus of numerous studies, estimating the impact of such improvements on the revenue has been overlooked in the literature despite its practical importance. Indeed, quantifying the benefit of a change in a system serves as support for investment decisions. This is a challenging problem as it corresponds to the difference between the generated value and the value that would have been generated keeping the system as before. The latter is not observable. Moreover, the expected impact can be small in relative value. In this paper, we cast the problem as counterfactual prediction of unobserved revenue. The impact on revenue is then the difference between the observed and the estimated revenue. The originality of this work lies in the innovative application of econometric methods proposed for macroeconomic applications to a new problem setting. Broadly applicable, the approach benefits from only requiring revenue data observed for origin-destination pairs in the network of the airline at each day, before and after a change in the system is applied. We report results using real large-scale data from Air Canada. We compare a deep neural network counterfactual predictions model with econometric models. They achieve respectively 1% and 1.1% of error on the counterfactual revenue predictions, and allow to accurately estimate small impacts (in the order of 2%).

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arXiv2021

Optimal Spectral-Norm Approximate Minimization of Weighted Finite Automata

We address the approximate minimization problem for weighted finite automata (WFAs) with weights in $\mathbb{R}$, over a one-letter alphabet: to compute the best possible approximation of a WFA given a bound on the number of states. This work is grounded in Adamyan-Arov-Krein Approximation theory, a remarkable collection of results on the approximation of Hankel operators. In addition to its intrinsic mathematical relevance, this theory has proven to be very effective for model reduction. We adapt these results to the framework of weighted automata over a one-letter alphabet. We provide theoretical guarantees and bounds on the quality of the approximation in the spectral and $\ell^2$ norm. We develop an algorithm that, based on the properties of Hankel operators, returns the optimal approximation in the spectral norm.

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arXiv2021

Tensor Networks for Probabilistic Sequence Modeling

Tensor networks are a powerful modeling framework developed for computational many-body physics, which have only recently been applied within machine learning. In this work we utilize a uniform matrix product state (u-MPS) model for probabilistic modeling of sequence data. We first show that u-MPS enable sequence-level parallelism, with length-n sequences able to be evaluated in depth O(log n). We then introduce a novel generative algorithm giving trained u-MPS the ability to efficiently sample from a wide variety of conditional distributions, each one defined by a regular expression. Special cases of this algorithm correspond to autoregressive and fill-in-the-blank sampling, but more complex regular expressions permit the generation of richly structured data in a manner that has no direct analogue in neural generative models. Experiments on sequence modeling with synthetic and real text data show u-MPS outperforming a variety of baselines and effectively generalizing their predictions in the presence of limited data.

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arXiv2021

A Theoretical Analysis of Catastrophic Forgetting through the NTK Overlap Matrix

Continual learning (CL) is a setting in which an agent has to learn from an incoming stream of data during its entire lifetime. Although major advances have been made in the field, one recurring problem which remains unsolved is that of Catastrophic Forgetting (CF). While the issue has been extensively studied empirically, little attention has been paid from a theoretical angle. In this paper, we show that the impact of CF increases as two tasks increasingly align. We introduce a measure of task similarity called the NTK overlap matrix which is at the core of CF. We analyze common projected gradient algorithms and demonstrate how they mitigate forgetting. Then, we propose a variant of Orthogonal Gradient Descent (OGD) which leverages structure of the data through Principal Component Analysis (PCA). Experiments support our theoretical findings and show how our method can help reduce CF on classical CL datasets.

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arXiv2020

Quantum Tensor Networks, Stochastic Processes, and Weighted Automata

Modeling joint probability distributions over sequences has been studied from many perspectives. The physics community developed matrix product states, a tensor-train decomposition for probabilistic modeling, motivated by the need to tractably model many-body systems. But similar models have also been studied in the stochastic processes and weighted automata literature, with little work on how these bodies of work relate to each other. We address this gap by showing how stationary or uniform versions of popular quantum tensor network models have equivalent representations in the stochastic processes and weighted automata literature, in the limit of infinitely long sequences. We demonstrate several equivalence results between models used in these three communities: (i) uniform variants of matrix product states, Born machines and locally purified states from the quantum tensor networks literature, (ii) predictive state representations, hidden Markov models, norm-observable operator models and hidden quantum Markov models from the stochastic process literature,and (iii) stochastic weighted automata, probabilistic automata and quadratic automata from the formal languages literature. Such connections may open the door for results and methods developed in one area to be applied in another.

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