A trivializing map is a field transformation whose Jacobian determinant exactly cancels the interaction terms in the action, providing a representation of the theory in terms of a deterministic transformation of a distribution from which sampling is trivial. Recently, a proof-of-principle study by Albergo, Kanwar and Shanahan [arXiv:1904.12072] demonstrated that approximations of trivializing maps can be `machine-learned' by a class of invertible, differentiable neural models called \textit{normalizing flows}. By ensuring that the Jacobian determinant can be computed efficiently, asymptotically exact sampling from the theory of interest can be performed by drawing samples from a simple distribution and passing them through the network. From a theoretical perspective, this approach has the potential to become more efficient than traditional Markov Chain Monte Carlo sampling techniques, where autocorrelations severely diminish the sampling efficiency as one approaches the continuum limit. A major caveat is that it is not yet understood how the size of models and the cost of training them is expected to scale. As a first step, we have conducted an exploratory scaling study using two-dimensional $\phi^4$ with up to $20^2$ lattice sites. Although the scope of our study is limited to a particular model architecture and training algorithm, initial results paint an interesting picture in which training costs grow very quickly indeed. We describe a candidate explanation for the poor scaling, and outline our intentions to clarify the situation in future work.
We study the theory of neural network (NN) from the lens of classical nonparametric regression problems with a focus on NN's ability to adaptively estimate functions with heterogeneous smoothness --- a property of functions in Besov or Bounded Variation (BV) classes. Existing work on this problem requires tuning the NN architecture based on the function spaces and sample sizes. We consider a "Parallel NN" variant of deep ReLU networks and show that the standard weight decay is equivalent to promoting the $\ell_p$-sparsity ($0<p<1$) of the coefficient vector of an end-to-end learned function bases, i.e., a dictionary. Using this equivalence, we further establish that by tuning only the weight decay, such Parallel NN achieves an estimation error arbitrarily close to the minimax rates for both the Besov and BV classes. Notably, it gets exponentially closer to minimax optimal as the NN gets deeper. Our research sheds new lights on why depth matters and how NNs are more powerful than kernel methods.
Learning Markov decision processes (MDPs) in the presence of the adversary is a challenging problem in reinforcement learning (RL). In this paper, we study RL in episodic MDPs with adversarial reward and full information feedback, where the unknown transition probability function is a linear function of a given feature mapping, and the reward function can change arbitrarily episode by episode. We propose an optimistic policy optimization algorithm POWERS and show that it can achieve $\tilde{O}(dH\sqrt{T})$ regret, where $H$ is the length of the episode, $T$ is the number of interactions with the MDP, and $d$ is the dimension of the feature mapping. Furthermore, we also prove a matching lower bound of $\tilde{\Omega}(dH\sqrt{T})$ up to logarithmic factors. Our key technical contributions are two-fold: (1) a new value function estimator based on importance weighting; and (2) a tighter confidence set for the transition kernel. They together lead to the nearly minimax optimal regret.
Specifications of complex, large scale, computer software and hardware systems can be radically simplified by using simple maps from input sequences to output values. These "state machine maps" provide an alternative representation of classical Moore type state machines. Composition of state machine maps corresponds to state machine products and can be used to specify essentially any type of interconnection as well as parallel and distributed computation. State machine maps can also specify abstract properties of systems and are significantly more concise and scalable than traditional representations of automata. Examples included here include specifications of producer/consumer software, network distributed consensus, real-time digital circuits, and operating system scheduling. The motivation for this work comes from experience designing and developing operating systems and real-time software where weak methods for understanding and exploring designs is a well known handicap. The methods introduced here are based on ordinary discrete mathematics, primitive recursive functions and deterministic state machines and are intended, initially, to aid the intuition and understanding of the system developers. Staying strictly within the boundaries of classical deterministic state machines anchors the methods to the algebraic structures of automata and semigroups, obviates any need for axiomatic deduction systems, "formal methods", or extensions to the model, and makes the specifications more faithful to engineering practice. While state machine maps are obvious representations of state machines, the techniques introduced here for defining and composing them are novel.
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.
We study online convex optimization with switching costs, a practically important but also extremely challenging problem due to the lack of complete offline information. By tapping into the power of machine learning (ML) based optimizers, ML-augmented online algorithms (also referred to as expert calibration in this paper) have been emerging as state of the art, with provable worst-case performance guarantees. Nonetheless, by using the standard practice of training an ML model as a standalone optimizer and plugging it into an ML-augmented algorithm, the average cost performance can be even worse than purely using ML predictions. In order to address the "how to learn" challenge, we propose EC-L2O (expert-calibrated learning to optimize), which trains an ML-based optimizer by explicitly taking into account the downstream expert calibrator. To accomplish this, we propose a new differentiable expert calibrator that generalizes regularized online balanced descent and offers a provably better competitive ratio than pure ML predictions when the prediction error is large. For training, our loss function is a weighted sum of two different losses -- one minimizing the average ML prediction error for better robustness, and the other one minimizing the post-calibration average cost. We also provide theoretical analysis for EC-L2O, highlighting that expert calibration can be even beneficial for the average cost performance and that the high-percentile tail ratio of the cost achieved by EC-L2O to that of the offline optimal oracle (i.e., tail cost ratio) can be bounded. Finally, we test EC-L2O by running simulations for sustainable datacenter demand response. Our results demonstrate that EC-L2O can empirically achieve a lower average cost as well as a lower competitive ratio than the existing baseline algorithms.
Given a multivariate big time series, can we detect anomalies as soon as they occur? Many existing works detect anomalies by learning how much a time series deviates away from what it should be in the reconstruction framework. However, most models have to cut the big time series into small pieces empirically since optimization algorithms cannot afford such a long series. The question is raised: do such cuts pollute the inherent semantic segments, like incorrect punctuation in sentences? Therefore, we propose a reconstruction-based anomaly detection method, MissGAN, iteratively learning to decode and encode naturally smooth time series in coarse segments, and finding out a finer segment from low-dimensional representations based on HMM. As a result, learning from multi-scale segments, MissGAN can reconstruct a meaningful and robust time series, with the help of adversarial regularization and extra conditional states. MissGAN does not need labels or only needs labels of normal instances, making it widely applicable. Experiments on industrial datasets of real water network sensors show our MissGAN outperforms the baselines with scalability. Besides, we use a case study on the CMU Motion dataset to demonstrate that our model can well distinguish unexpected gestures from a given conditional motion.
In this work, we study the transfer learning problem under high-dimensional generalized linear models (GLMs), which aim to improve the fit on target data by borrowing information from useful source data. Given which sources to transfer, we propose a transfer learning algorithm on GLM, and derive its $\ell_1/\ell_2$-estimation error bounds as well as a bound for a prediction error measure. The theoretical analysis shows that when the target and source are sufficiently close to each other, these bounds could be improved over those of the classical penalized estimator using only target data under mild conditions. When we don't know which sources to transfer, an algorithm-free transferable source detection approach is introduced to detect informative sources. The detection consistency is proved under the high-dimensional GLM transfer learning setting. We also propose an algorithm to construct confidence intervals of each coefficient component, and the corresponding theories are provided. Extensive simulations and a real-data experiment verify the effectiveness of our algorithms. We implement the proposed GLM transfer learning algorithms in a new R package glmtrans, which is available on CRAN.
We consider networks of small, autonomous devices that communicate with each other wirelessly. Minimizing energy usage is an important consideration in designing algorithms for such networks, as battery life is a crucial and limited resource. Working in a model where both sending and listening for messages deplete energy, we consider the problem of finding a maximal matching of the nodes in a radio network of arbitrary and unknown topology. We present a distributed randomized algorithm that produces, with high probability, a maximal matching. The maximum energy cost per node is $O(\log^2 n)$, where $n$ is the size of the network. The total latency of our algorithm is $O(n \log n)$ time steps. We observe that there exist families of network topologies for which both of these bounds are simultaneously optimal up to polylog factors, so any significant improvement will require additional assumptions about the network topology. We also consider the related problem of assigning, for each node in the network, a neighbor to back up its data in case of node failure. Here, a key goal is to minimize the maximum load, defined as the number of nodes assigned to a single node. We present a decentralized low-energy algorithm that finds a neighbor assignment whose maximum load is at most a polylog($n$) factor bigger that the optimum.
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.