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We study a new two-time-scale stochastic gradient method for solving optimization problems, where the gradients are computed with the aid of an auxiliary variable under samples generated by time-varying Markov random processes parameterized by the underlying optimization variable. These time-varying samples make gradient directions in our update biased and dependent, which can potentially lead to the divergence of the iterates. In our two-time-scale approach, one scale is to estimate the true gradient from these samples, which is then used to update the estimate of the optimal solution. While these two iterates are implemented simultaneously, the former is updated "faster" (using bigger step sizes) than the latter (using smaller step sizes). Our first contribution is to characterize the finite-time complexity of the proposed two-time-scale stochastic gradient method. In particular, we provide explicit formulas for the convergence rates of this method under different structural assumptions, namely, strong convexity, convexity, the Polyak-Lojasiewicz condition, and general non-convexity. We apply our framework to two problems in control and reinforcement learning. First, we look at the standard online actor-critic algorithm over finite state and action spaces and derive a convergence rate of O(k^(-2/5)), which recovers the best known rate derived specifically for this problem. Second, we study an online actor-critic algorithm for the linear-quadratic regulator and show that a convergence rate of O(k^(-2/3)) is achieved. This is the first time such a result is known in the literature. Finally, we support our theoretical analysis with numerical simulations where the convergence rates are visualized.

Applications of Reinforcement Learning (RL), in which agents learn to make a sequence of decisions despite lacking complete information about the latent states of the controlled system, that is, they act under partial observability of the states, are ubiquitous. Partially observable RL can be notoriously difficult -- well-known information-theoretic results show that learning partially observable Markov decision processes (POMDPs) requires an exponential number of samples in the worst case. Yet, this does not rule out the existence of large subclasses of POMDPs over which learning is tractable. In this paper we identify such a subclass, which we call weakly revealing POMDPs. This family rules out the pathological instances of POMDPs where observations are uninformative to a degree that makes learning hard. We prove that for weakly revealing POMDPs, a simple algorithm combining optimism and Maximum Likelihood Estimation (MLE) is sufficient to guarantee polynomial sample complexity. To the best of our knowledge, this is the first provably sample-efficient result for learning from interactions in overcomplete POMDPs, where the number of latent states can be larger than the number of observations.

Federated learning (FL) has been recognized as a viable distributed learning paradigm which trains a machine learning model collaboratively with massive mobile devices in the wireless edge while protecting user privacy. Although various communication schemes have been proposed to expedite the FL process, most of them have assumed ideal wireless channels which provide reliable and lossless communication links between the server and mobile clients. Unfortunately, in practical systems with limited radio resources such as constraint on the training latency and constraints on the transmission power and bandwidth, transmission of a large number of model parameters inevitably suffers from quantization errors (QE) and transmission outage (TO). In this paper, we consider such non-ideal wireless channels, and carry out the first analysis showing that the FL convergence can be severely jeopardized by TO and QE, but intriguingly can be alleviated if the clients have uniform outage probabilities. These insightful results motivate us to propose a robust FL scheme, named FedTOE, which performs joint allocation of wireless resources and quantization bits across the clients to minimize the QE while making the clients have the same TO probability. Extensive experimental results are presented to show the superior performance of FedTOE for deep learning-based classification tasks with transmission latency constraints.

While the theoretical analysis of evolutionary algorithms (EAs) has made significant progress for pseudo-Boolean optimization problems in the last 25 years, only sporadic theoretical results exist on how EAs solve permutation-based problems. To overcome the lack of permutation-based benchmark problems, we propose a general way to transfer the classic pseudo-Boolean benchmarks into benchmarks defined on sets of permutations. We then conduct a rigorous runtime analysis of the permutation-based $(1+1)$ EA proposed by Scharnow, Tinnefeld, and Wegener (2004) on the analogues of the \textsc{LeadingOnes} and \textsc{Jump} benchmarks. The latter shows that, different from bit-strings, it is not only the Hamming distance that determines how difficult it is to mutate a permutation $\sigma$ into another one $\tau$, but also the precise cycle structure of $\sigma \tau^{-1}$. For this reason, we also regard the more symmetric scramble mutation operator. We observe that it not only leads to simpler proofs, but also reduces the runtime on jump functions with odd jump size by a factor of $\Theta(n)$. Finally, we show that a heavy-tailed version of the scramble operator, as in the bit-string case, leads to a speed-up of order $m^{\Theta(m)}$ on jump functions with jump size~$m$.%

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.

Federated learning with differential privacy, or private federated learning, provides a strategy to train machine learning models while respecting users' privacy. However, differential privacy can disproportionately degrade the performance of the models on under-represented groups, as these parts of the distribution are difficult to learn in the presence of noise. Existing approaches for enforcing fairness in machine learning models have considered the centralized setting, in which the algorithm has access to the users' data. This paper introduces an algorithm to enforce group fairness in private federated learning, where users' data does not leave their devices. First, the paper extends the modified method of differential multipliers to empirical risk minimization with fairness constraints, thus providing an algorithm to enforce fairness in the central setting. Then, this algorithm is extended to the private federated learning setting. The proposed algorithm, \texttt{FPFL}, is tested on a federated version of the Adult dataset and an "unfair" version of the FEMNIST dataset. The experiments on these datasets show how private federated learning accentuates unfairness in the trained models, and how FPFL is able to mitigate such unfairness.

Multi-fidelity models are of great importance due to their capability of fusing information coming from different simulations and sensors. In the context of Gaussian process regression we can exploit low-fidelity models to better capture the latent manifold thus improving the accuracy of the model. We focus on the approximation of high-dimensional scalar functions with low intrinsic dimensionality. By introducing a low dimensional bias in a chain of Gaussian processes with different fidelities we can fight the curse of dimensionality affecting these kind of quantities of interest, especially for many-query applications. In particular we seek a gradient-based reduction of the parameter space through linear active subspaces or a nonlinear transformation of the input space. Then we build a low-fidelity response surface based on such reduction, thus enabling multi-fidelity Gaussian process regression without the need of running new simulations with simplified physical models. This has a great potential in the data scarcity regime affecting many engineering applications. In this work we present a new multi-fidelity approach -- starting from the preliminary analysis conducted in Romor et al. 2020 -- involving active subspaces and nonlinear level-set learning method. The proposed numerical method is tested on two high-dimensional benchmark functions, and on a more complex car aerodynamics problem. We show how a low intrinsic dimensionality bias can increase the accuracy of Gaussian process response surfaces.

There are many important high dimensional function classes that have fast agnostic learning algorithms when strong assumptions on the distribution of examples can be made, such as Gaussianity or uniformity over the domain. But how can one be sufficiently confident that the data indeed satisfies the distributional assumption, so that one can trust in the output quality of the agnostic learning algorithm? We propose a model by which to systematically study the design of tester-learner pairs $(\mathcal{A},\mathcal{T})$, such that if the distribution on examples in the data passes the tester $\mathcal{T}$ then one can safely trust the output of the agnostic learner $\mathcal{A}$ on the data. To demonstrate the power of the model, we apply it to the classical problem of agnostically learning halfspaces under the standard Gaussian distribution and present a tester-learner pair with a combined run-time of $n^{\tilde{O}(1/\epsilon^4)}$. This qualitatively matches that of the best known ordinary agnostic learning algorithms for this task. In contrast, finite sample Gaussian distribution testers do not exist for the $L_1$ and EMD distance measures. A key step in the analysis is a novel characterization of concentration and anti-concentration properties of a distribution whose low-degree moments approximately match those of a Gaussian. We also use tools from polynomial approximation theory. In contrast, we show strong lower bounds on the combined run-times of tester-learner pairs for the problems of agnostically learning convex sets under the Gaussian distribution and for monotone Boolean functions under the uniform distribution over $\{0,1\}^n$. Through these lower bounds we exhibit natural problems where there is a dramatic gap between standard agnostic learning run-time and the run-time of the best tester-learner pair.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Recent times are witnessing rapid development in machine learning algorithm systems, especially in reinforcement learning, natural language processing, computer and robot vision, image processing, speech, and emotional processing and understanding. In tune with the increasing importance and relevance of machine learning models, algorithms, and their applications, and with the emergence of more innovative uses cases of deep learning and artificial intelligence, the current volume presents a few innovative research works and their applications in real world, such as stock trading, medical and healthcare systems, and software automation. The chapters in the book illustrate how machine learning and deep learning algorithms and models are designed, optimized, and deployed. The volume will be useful for advanced graduate and doctoral students, researchers, faculty members of universities, practicing data scientists and data engineers, professionals, and consultants working on the broad areas of machine learning, deep learning, and artificial intelligence.