Functional data analysis (FDA) almost always involves smoothing discrete observations into curves, because they are never observed in continuous time and rarely without error. Although smoothing parameters affect the subsequent inference, data-driven methods for selecting these parameters are not well-developed, frustrated by the difficulty of using all the information shared by curves while being computationally efficient. On the one hand, smoothing individual curves in an isolated, albeit sophisticated way, ignores useful signals present in other curves. On the other hand, bandwidth selection by automatic procedures such as cross-validation after pooling all the curves together quickly become computationally unfeasible due to the large number of data points. In this paper we propose a new data-driven, adaptive kernel smoothing, specifically tailored for functional principal components analysis (FPCA) through the derivation of sharp, explicit risk bounds for the eigen-elements. The minimization of these quadratic risk bounds provide refined, yet computationally efficient bandwidth rules for each eigen-element separately. Both common and independent design cases are allowed. Rates of convergence for the adaptive eigen-elements estimators are derived. An extensive simulation study, designed in a versatile manner to closely mimic characteristics of real data sets, support our methodological contribution, which is available for use in the R package FDAdapt.
We consider a general linear parabolic problem with extended time boundary conditions (including initial value problems and periodic ones), and approximate it by the implicit Euler scheme in time and the Gradient Discretisation method in space; the latter is in fact a class of methods that includes conforming and nonconforming finite elements, discontinuous Galerkin methods and several others. The main result is an error estimate which holds without supplementary regularity hypothesis on the solution. This result states that the approximation error has the same order as the sum of the interpolation error and the conformity error. The proof of this result relies on an inf-sup inequality in Hilbert spaces which can be used both in the continuous and the discrete frameworks. The error estimate result is illustrated by numerical examples with low regularity of the solution.
Time-to-event data are often recorded on a discrete scale with multiple, competing risks as potential causes for the event. In this context, application of continuous survival analysis methods with a single risk suffer from biased estimation. Therefore, we propose the Multivariate Bernoulli detector for competing risks with discrete times involving a multivariate change point model on the cause-specific baseline hazards. Through the prior on the number of change points and their location, we impose dependence between change points across risks, as well as allowing for data-driven learning of their number. Then, conditionally on these change points, a Multivariate Bernoulli prior is used to infer which risks are involved. Focus of posterior inference is cause-specific hazard rates and dependence across risks. Such dependence is often present due to subject-specific changes across time that affect all risks. Full posterior inference is performed through a tailored local-global Markov chain Monte Carlo (MCMC) algorithm, which exploits a data augmentation trick and MCMC updates from non-conjugate Bayesian nonparametric methods. We illustrate our model in simulations and on prostate cancer data, comparing its performance with existing approaches.
In this paper we develop a numerical method for efficiently approximating solutions of certain Zakai equations in high dimensions. The key idea is to transform a given Zakai SPDE into a PDE with random coefficients. We show that under suitable regularity assumptions on the coefficients of the Zakai equation, the corresponding random PDE admits a solution random field which, for almost all realizations of the random coefficients, can be written as a classical solution of a linear parabolic PDE. This makes it possible to apply the Feynman--Kac formula to obtain an efficient Monte Carlo scheme for computing approximate solutions of Zakai equations. The approach achieves good results in up to 25 dimensions with fast run times.
In the context of finite sums minimization, variance reduction techniques are widely used to improve the performance of state-of-the-art stochastic gradient methods. Their practical impact is clear, as well as their theoretical properties. Stochastic proximal point algorithms have been studied as an alternative to stochastic gradient algorithms since they are more stable with respect to the choice of the stepsize but a proper variance reduced version is missing. In this work, we propose the first study of variance reduction techniques for stochastic proximal point algorithms. We introduce a stochastic proximal version of SVRG, SAGA, and some of their variants for smooth and convex functions. We provide several convergence results for the iterates and the objective function values. In addition, under the Polyak-{\L}ojasiewicz (PL) condition, we obtain linear convergence rates for the iterates and the function values. Our numerical experiments demonstrate the advantages of the proximal variance reduction methods over their gradient counterparts, especially about the stability with respect to the choice of the step size.
A primary challenge of physics-informed machine learning (PIML) is its generalization beyond the training domain, especially when dealing with complex physical problems represented by partial differential equations (PDEs). This paper aims to enhance the generalization capabilities of PIML, facilitating practical, real-world applications where accurate predictions in unexplored regions are crucial. We leverage the inherent causality and temporal sequential characteristics of PDE solutions to fuse PIML models with recurrent neural architectures based on systems of ordinary differential equations, referred to as neural oscillators. Through effectively capturing long-time dependencies and mitigating the exploding and vanishing gradient problem, neural oscillators foster improved generalization in PIML tasks. Extensive experimentation involving time-dependent nonlinear PDEs and biharmonic beam equations demonstrates the efficacy of the proposed approach. Incorporating neural oscillators outperforms existing state-of-the-art methods on benchmark problems across various metrics. Consequently, the proposed method improves the generalization capabilities of PIML, providing accurate solutions for extrapolation and prediction beyond the training data.
Interpreting a seemingly-simple function word like "or", "behind", or "more" can require logical, numerical, and relational reasoning. How are such words learned by children? Prior acquisition theories have often relied on positing a foundation of innate knowledge. Yet recent neural-network based visual question answering models apparently can learn to use function words as part of answering questions about complex visual scenes. In this paper, we study what these models learn about function words, in the hope of better understanding how the meanings of these words can be learnt by both models and children. We show that recurrent models trained on visually grounded language learn gradient semantics for function words requiring spacial and numerical reasoning. Furthermore, we find that these models can learn the meanings of logical connectives "and" and "or" without any prior knowledge of logical reasoning, as well as early evidence that they can develop the ability to reason about alternative expressions when interpreting language. Finally, we show that word learning difficulty is dependent on frequency in models' input. Our findings offer evidence that it is possible to learn the meanings of function words in visually grounded context by using non-symbolic general statistical learning algorithms, without any prior knowledge of linguistic meaning.
Long-span bridges are subjected to a multitude of dynamic excitations during their lifespan. To account for their effects on the structural system, several load models are used during design to simulate the conditions the structure is likely to experience. These models are based on different simplifying assumptions and are generally guided by parameters that are stochastically identified from measurement data, making their outputs inherently uncertain. This paper presents a probabilistic physics-informed machine-learning framework based on Gaussian process regression for reconstructing dynamic forces based on measured deflections, velocities, or accelerations. The model can work with incomplete and contaminated data and offers a natural regularization approach to account for noise in the measurement system. An application of the developed framework is given by an aerodynamic analysis of the Great Belt East Bridge. The aerodynamic response is calculated numerically based on the quasi-steady model, and the underlying forces are reconstructed using sparse and noisy measurements. Results indicate a good agreement between the applied and the predicted dynamic load and can be extended to calculate global responses and the resulting internal forces. Uses of the developed framework include validation of design models and assumptions, as well as prognosis of responses to assist in damage detection and structural health monitoring.
The goal of explainable Artificial Intelligence (XAI) is to generate human-interpretable explanations, but there are no computationally precise theories of how humans interpret AI generated explanations. The lack of theory means that validation of XAI must be done empirically, on a case-by-case basis, which prevents systematic theory-building in XAI. We propose a psychological theory of how humans draw conclusions from saliency maps, the most common form of XAI explanation, which for the first time allows for precise prediction of explainee inference conditioned on explanation. Our theory posits that absent explanation humans expect the AI to make similar decisions to themselves, and that they interpret an explanation by comparison to the explanations they themselves would give. Comparison is formalized via Shepard's universal law of generalization in a similarity space, a classic theory from cognitive science. A pre-registered user study on AI image classifications with saliency map explanations demonstrate that our theory quantitatively matches participants' predictions of the AI.
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.