Deep Q-learning based algorithms have been applied successfully in many decision making problems, while their theoretical foundations are not as well understood. In this paper, we study a Fitted Q-Iteration with two-layer ReLU neural network parameterization, and find the sample complexity guarantees for the algorithm. Our approach estimates the Q-function in each iteration using a convex optimization problem. We show that this approach achieves a sample complexity of $\tilde{\mathcal{O}}(1/\epsilon^{2})$, which is order-optimal. This result holds for a countable state-spaces and does not require any assumptions such as a linear or low rank structure on the MDP.
Empirical studies of the loss landscape of deep networks have revealed that many local minima are connected through low-loss valleys. Yet, little is known about the theoretical origin of such valleys. We present a general framework for finding continuous symmetries in the parameter space, which carve out low-loss valleys. Our framework uses equivariances of the activation functions and can be applied to different layer architectures. To generalize this framework to nonlinear neural networks, we introduce a novel set of nonlinear, data-dependent symmetries. These symmetries can transform a trained model such that it performs similarly on new samples, which allows ensemble building that improves robustness under certain adversarial attacks. We then show that conserved quantities associated with linear symmetries can be used to define coordinates along low-loss valleys. The conserved quantities help reveal that using common initialization methods, gradient flow only explores a small part of the global minimum. By relating conserved quantities to convergence rate and sharpness of the minimum, we provide insights on how initialization impacts convergence and generalizability.
With the increasing ubiquity of cameras and smart sensors, humanity is generating data at an exponential rate. Access to this trove of information, often covering yet-underrepresented use-cases (e.g., AI in medical settings) could fuel a new generation of deep-learning tools. However, eager data scientists should first provide satisfying guarantees w.r.t. the privacy of individuals present in these untapped datasets. This is especially important for images or videos depicting faces, as their biometric information is the target of most identification methods. While a variety of solutions have been proposed to de-identify such images, they often corrupt other non-identifying facial attributes that would be relevant for downstream tasks. In this paper, we propose Disguise, a novel algorithm to seamlessly de-identify facial images while ensuring the usability of the altered data. Unlike prior arts, we ground our solution in both differential privacy and ensemble-learning research domains. Our method extracts and swaps depicted identities with fake ones, synthesized via variational mechanisms to maximize obfuscation and non-invertibility; while leveraging the supervision from a mixture-of-experts to disentangle and preserve other utility attributes. We extensively evaluate our method on multiple datasets, demonstrating higher de-identification rate and superior consistency than prior art w.r.t. various downstream tasks.
Detecting hidden geometrical structures from surface measurements under electromagnetic, acoustic, or mechanical loading is the goal of noninvasive imaging techniques in medical and industrial applications. Solving the inverse problem can be challenging due to the unknown topology and geometry, the sparsity of the data, and the complexity of the physical laws. Physics-informed neural networks (PINNs) have shown promise as a simple-yet-powerful tool for problem inversion, but they have yet to be applied to general problems with a priori unknown topology. Here, we introduce a topology optimization framework based on PINNs that solves geometry detection problems without prior knowledge of the number or types of shapes. We allow for arbitrary solution topology by representing the geometry using a material density field that approaches binary values thanks to a novel eikonal regularization. We validate our framework by detecting the number, locations, and shapes of hidden voids and inclusions in linear and nonlinear elastic bodies using measurements of outer surface displacement from a single mechanical loading experiment. Our methodology opens a pathway for PINNs to solve various engineering problems targeting geometry optimization.
We review Quasi Maximum Likelihood estimation of factor models for high-dimensional panels of time series. We consider two cases: (1) estimation when no dynamic model for the factors is specified (Bai and Li, 2016); (2) estimation based on the Kalman smoother and the Expectation Maximization algorithm thus allowing to model explicitly the factor dynamics (Doz et al., 2012). Our interest is in approximate factor models, i.e., when we allow for the idiosyncratic components to be mildly cross-sectionally, as well as serially, correlated. Although such setting apparently makes estimation harder, we show, in fact, that factor models do not suffer of the curse of dimensionality problem, but instead they enjoy a blessing of dimensionality property. In particular, we show that if the cross-sectional dimension of the data, $N$, grows to infinity, then: (i) identification of the model is still possible, (ii) the mis-specification error due to the use of an exact factor model log-likelihood vanishes. Moreover, if we let also the sample size, $T$, grow to infinity, we can also consistently estimate all parameters of the model and make inference. The same is true for estimation of the latent factors which can be carried out by weighted least-squares, linear projection, or Kalman filtering/smoothing. We also compare the approaches presented with: Principal Component analysis and the classical, fixed $N$, exact Maximum Likelihood approach. We conclude with a discussion on efficiency of the considered estimators.
It is a widely observed phenomenon in nonparametric statistics that rate-optimal estimators balance bias and stochastic error. The recent work on overparametrization raises the question whether rate-optimal estimators exist that do not obey this trade-off. In this work we consider pointwise estimation in the Gaussian white noise model with $\beta$-H\"older smooth regression function f. It is shown that an estimator with worst-case bias $\lesssim n^{-\beta/(2\beta+1)}=: \psi_n$ must necessarily also have a worst-case mean absolute deviation that is lower bounded by $\gtrsim \psi_n.$ This proves that any estimator achieving the minimax optimal pointwise estimation rate $\psi_n$ must necessarily balance worst-case bias and worst-case mean absolute deviation. To derive the result, we establish an abstract inequality relating the change of expectation for two probability measures to the mean absolute deviation.
Randomized neural networks (randomized NNs), where only the terminal layer's weights are optimized constitute a powerful model class to reduce computational time in training the neural network model. At the same time, these models generalize surprisingly well in various regression and classification tasks. In this paper, we give an exact macroscopic characterization (i.e., a characterization in function space) of the generalization behavior of randomized, shallow NNs with ReLU activation (RSNs). We show that RSNs correspond to a generalized additive model (GAM)-typed regression in which infinitely many directions are considered: the infinite generalized additive model (IGAM). The IGAM is formalized as solution to an optimization problem in function space for a specific regularization functional and a fairly general loss. This work is an extension to multivariate NNs of prior work, where we showed how wide RSNs with ReLU activation behave like spline regression under certain conditions and if the input is one-dimensional.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.