Quantum adversarial machine learning is an emerging field that studies the vulnerability of quantum learning systems against adversarial perturbations and develops possible defense strategies. Quantum universal adversarial perturbations are small perturbations, which can make different input samples into adversarial examples that may deceive a given quantum classifier. This is a field that was rarely looked into but worthwhile investigating because universal perturbations might simplify malicious attacks to a large extent, causing unexpected devastation to quantum machine learning models. In this paper, we take a step forward and explore the quantum universal perturbations in the context of heterogeneous classification tasks. In particular, we find that quantum classifiers that achieve almost state-of-the-art accuracy on two different classification tasks can be both conclusively deceived by one carefully-crafted universal perturbation. This result is explicitly demonstrated with well-designed quantum continual learning models with elastic weight consolidation method to avoid catastrophic forgetting, as well as real-life heterogeneous datasets from hand-written digits and medical MRI images. Our results provide a simple and efficient way to generate universal perturbations on heterogeneous classification tasks and thus would provide valuable guidance for future quantum learning technologies.
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Tikhonov regularization is a widely used technique in solving inverse problems that can enforce prior properties on the desired solution. In this paper, we propose a Krylov subspace based iterative method for solving linear inverse problems with general-form Tikhonov regularization term $x^TMx$, where $M$ is a positive semi-definite matrix. An iterative process called the preconditioned Golub-Kahan bidiagonalization (pGKB) is designed, which implicitly utilizes a proper preconditioner to generate a series of solution subspaces with desirable properties encoded by the regularizer $x^TMx$. Based on the pGKB process, we propose an iterative regularization algorithm via projecting the original problem onto small dimensional solution subspaces. We analyze regularization effect of this algorithm, including the incorporation of prior properties of the desired solution into the solution subspace and the semi-convergence behavior of regularized solution. To overcome instabilities caused by semi-convergence, we further propose two pGKB based hybrid regularization algorithms. All the proposed algorithms are tested on both small-scale and large-scale linear inverse problems. Numerical results demonstrate that these iterative algorithms exhibit excellent performance, outperforming other state-of-the-art algorithms in some cases.
Formation control of multi-agent systems has been a prominent research topic, spanning both theoretical and practical domains over the past two decades. Our study delves into the leader-follower framework, addressing two critical, previously overlooked aspects. Firstly, we investigate the impact of an unknown nonlinear manifold, introducing added complexity to the formation control challenge. Secondly, we address the practical constraint of limited follower sensing range, posing difficulties in accurately localizing the leader for followers. Our core objective revolves around employing Koopman operator theory and Extended Dynamic Mode Decomposition to craft a reliable prediction algorithm for the follower robot to anticipate the leader's position effectively. Our experimentation on an elliptical paraboloid manifold, utilizing two omni-directional wheeled robots, validates the prediction algorithm's effectiveness.
Traditional deep learning (DL) models are powerful classifiers, but many approaches do not provide uncertainties for their estimates. Uncertainty quantification (UQ) methods for DL models have received increased attention in the literature due to their usefulness in decision making, particularly for high-consequence decisions. However, there has been little research done on how to evaluate the quality of such methods. We use statistical methods of frequentist interval coverage and interval width to evaluate the quality of credible intervals, and expected calibration error to evaluate classification predicted confidence. These metrics are evaluated on Bayesian neural networks (BNN) fit using Markov Chain Monte Carlo (MCMC) and variational inference (VI), bootstrapped neural networks (NN), Deep Ensembles (DE), and Monte Carlo (MC) dropout. We apply these different UQ for DL methods to a hyperspectral image target detection problem and show the inconsistency of the different methods' results and the necessity of a UQ quality metric. To reconcile these differences and choose a UQ method that appropriately quantifies the uncertainty, we create a simulated data set with fully parameterized probability distribution for a two-class classification problem. The gold standard MCMC performs the best overall, and the bootstrapped NN is a close second, requiring the same computational expense as DE. Through this comparison, we demonstrate that, for a given data set, different models can produce uncertainty estimates of markedly different quality. This in turn points to a great need for principled assessment methods of UQ quality in DL applications.
Temporal irreversibility, often referred to as the arrow of time, is a fundamental concept in statistical mechanics. Markers of irreversibility also provide a powerful characterisation of information processing in biological systems. However, current approaches tend to describe temporal irreversibility in terms of a single scalar quantity, without disentangling the underlying dynamics that contribute to irreversibility. Here we propose a broadly applicable information-theoretic framework to characterise the arrow of time in multivariate time series, which yields qualitatively different types of irreversible information dynamics. This multidimensional characterisation reveals previously unreported high-order modes of irreversibility, and establishes a formal connection between recent heuristic markers of temporal irreversibility and metrics of information processing. We demonstrate the prevalence of high-order irreversibility in the hyperactive regime of a biophysical model of brain dynamics, showing that our framework is both theoretically principled and empirically useful. This work challenges the view of the arrow of time as a monolithic entity, enhancing both our theoretical understanding of irreversibility and our ability to detect it in practical applications.
The application of deep learning to non-stationary temporal datasets can lead to overfitted models that underperform under regime changes. In this work, we propose a modular machine learning pipeline for ranking predictions on temporal panel datasets which is robust under regime changes. The modularity of the pipeline allows the use of different models, including Gradient Boosting Decision Trees (GBDTs) and Neural Networks, with and without feature engineering. We evaluate our framework on financial data for stock portfolio prediction, and find that GBDT models with dropout display high performance, robustness and generalisability with reduced complexity and computational cost. We then demonstrate how online learning techniques, which require no retraining of models, can be used post-prediction to enhance the results. First, we show that dynamic feature projection improves robustness by reducing drawdown in regime changes. Second, we demonstrate that dynamical model ensembling based on selection of models with good recent performance leads to improved Sharpe and Calmar ratios of out-of-sample predictions. We also evaluate the robustness of our pipeline across different data splits and random seeds with good reproducibility.
We present a robust deep incremental learning framework for regression tasks on financial temporal tabular datasets which is built upon the incremental use of commonly available tabular and time series prediction models to adapt to distributional shifts typical of financial datasets. The framework uses a simple basic building block (decision trees) to build self-similar models of any required complexity to deliver robust performance under adverse situations such as regime changes, fat-tailed distributions, and low signal-to-noise ratios. As a detailed study, we demonstrate our scheme using XGBoost models trained on the Numerai dataset and show that a two layer deep ensemble of XGBoost models over different model snapshots delivers high quality predictions under different market regimes. We also show that the performance of XGBoost models with different number of boosting rounds in three scenarios (small, standard and large) is monotonically increasing with respect to model size and converges towards the generalisation upper bound. We also evaluate the robustness of the model under variability of different hyperparameters, such as model complexity and data sampling settings. Our model has low hardware requirements as no specialised neural architectures are used and each base model can be independently trained in parallel.
In novelty detection, the objective is to determine whether the test sample contains any outliers, using a sample of controls (inliers). This involves many-to-one comparisons of individual test points against the control sample. A recent approach applies the Benjamini-Hochberg procedure to the conformal $p$-values resulting from these comparisons, ensuring false discovery rate control. In this paper, we suggest using Wilcoxon-Mann-Whitney tests for the comparisons and subsequently applying the closed testing principle to derive post-hoc confidence bounds for the number of outliers in any subset of the test sample. We revisit an elegant result that under a nonparametric alternative known as Lehmann's alternative, Wilcoxon-Mann-Whitney is locally most powerful among rank tests. By combining this result with a simple observation, we demonstrate that the proposed procedure is more powerful for the null hypothesis of no outliers than the Benjamini-Hochberg procedure applied to conformal $p$-values.
The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.
Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.
Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.
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