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Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function provided access to only a static dataset of prior experiments. Such data-driven optimization procedures are the only practical methods in many real-world domains where active data collection is expensive (e.g., when optimizing over proteins) or dangerous (e.g., when optimizing over aircraft designs). Typical methods for MBO that optimize the design against a learned model suffer from distributional shift: it is easy to find a design that "fools" the model into predicting a high value. To overcome this, we propose conservative objective models (COMs), a method that learns a model of the objective function that lower bounds the actual value of the ground-truth objective on out-of-distribution inputs, and uses it for optimization. Structurally, COMs resemble adversarial training methods used to overcome adversarial examples. COMs are simple to implement and outperform a number of existing methods on a wide range of MBO problems, including optimizing protein sequences, robot morphologies, neural network weights, and superconducting materials.

Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the local geometry and update iteratively. Even though solving non-convex functions is NP-hard in the worst case, the optimization quality in practice is often not an issue -- optimizers are largely believed to find approximate global minima. Researchers hypothesize a unified explanation for this intriguing phenomenon: most of the local minima of the practically-used objectives are approximately global minima. We rigorously formalize it for concrete instances of machine learning problems.

Recommender systems (RS), which have been an essential part in a wide range of applications, can be formulated as a matrix completion (MC) problem. To boost the performance of MC, matrix completion with side information, called inductive matrix completion (IMC), was further proposed. In real applications, the factorized version of IMC is more favored due to its efficiency of optimization and implementation. Regarding the factorized version, traditional IMC method can be interpreted as learning an individual representation for each feature, which is independent from each other. Moreover, representations for the same features are shared across all users/items. However, the independent characteristic for features and shared characteristic for the same features across all users/items may limit the expressiveness of the model. The limitation also exists in variants of IMC, such as deep learning based IMC models. To break the limitation, we generalize recent advances of self-attention mechanism to IMC and propose a context-aware model called collaborative self-attention (CSA), which can jointly learn context-aware representations for features and perform inductive matrix completion process. Extensive experiments on three large-scale datasets from real RS applications demonstrate effectiveness of CSA.

Reinforcement learning (RL) algorithms have been around for decades and been employed to solve various sequential decision-making problems. These algorithms however have faced great challenges when dealing with high-dimensional environments. The recent development of deep learning has enabled RL methods to drive optimal policies for sophisticated and capable agents, which can perform efficiently in these challenging environments. This paper addresses an important aspect of deep RL related to situations that demand multiple agents to communicate and cooperate to solve complex tasks. A survey of different approaches to problems related to multi-agent deep RL (MADRL) is presented, including non-stationarity, partial observability, continuous state and action spaces, multi-agent training schemes, multi-agent transfer learning. The merits and demerits of the reviewed methods will be analyzed and discussed, with their corresponding applications explored. It is envisaged that this review provides insights about various MADRL methods and can lead to future development of more robust and highly useful multi-agent learning methods for solving real-world problems.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.

We propose accelerated randomized coordinate descent algorithms for stochastic optimization and online learning. Our algorithms have significantly less per-iteration complexity than the known accelerated gradient algorithms. The proposed algorithms for online learning have better regret performance than the known randomized online coordinate descent algorithms. Furthermore, the proposed algorithms for stochastic optimization exhibit as good convergence rates as the best known randomized coordinate descent algorithms. We also show simulation results to demonstrate performance of the proposed algorithms.

Network embedding aims to learn low-dimensional representations of nodes in a network, while the network structure and inherent properties are preserved. It has attracted tremendous attention recently due to significant progress in downstream network learning tasks, such as node classification, link prediction, and visualization. However, most existing network embedding methods suffer from the expensive computations due to the large volume of networks. In this paper, we propose a $10\times \sim 100\times$ faster network embedding method, called Progle, by elegantly utilizing the sparsity property of online networks and spectral analysis. In Progle, we first construct a \textit{sparse} proximity matrix and train the network embedding efficiently via sparse matrix decomposition. Then we introduce a network propagation pattern via spectral analysis to incorporate local and global structure information into the embedding. Besides, this model can be generalized to integrate network information into other insufficiently trained embeddings at speed. Benefiting from sparse spectral network embedding, our experiment on four different datasets shows that Progle outperforms or is comparable to state-of-the-art unsupervised comparison approaches---DeepWalk, LINE, node2vec, GraRep, and HOPE, regarding accuracy, while is $10\times$ faster than the fastest word2vec-based method. Finally, we validate the scalability of Progle both in real large-scale networks and multiple scales of synthetic networks.

We consider the task of learning the parameters of a {\em single} component of a mixture model, for the case when we are given {\em side information} about that component, we call this the "search problem" in mixture models. We would like to solve this with computational and sample complexity lower than solving the overall original problem, where one learns parameters of all components. Our main contributions are the development of a simple but general model for the notion of side information, and a corresponding simple matrix-based algorithm for solving the search problem in this general setting. We then specialize this model and algorithm to four common scenarios: Gaussian mixture models, LDA topic models, subspace clustering, and mixed linear regression. For each one of these we show that if (and only if) the side information is informative, we obtain parameter estimates with greater accuracy, and also improved computation complexity than existing moment based mixture model algorithms (e.g. tensor methods). We also illustrate several natural ways one can obtain such side information, for specific problem instances. Our experiments on real data sets (NY Times, Yelp, BSDS500) further demonstrate the practicality of our algorithms showing significant improvement in runtime and accuracy.

This paper describes a suite of algorithms for constructing low-rank approximations of an input matrix from a random linear image of the matrix, called a sketch. These methods can preserve structural properties of the input matrix, such as positive-semidefiniteness, and they can produce approximations with a user-specified rank. The algorithms are simple, accurate, numerically stable, and provably correct. Moreover, each method is accompanied by an informative error bound that allows users to select parameters a priori to achieve a given approximation quality. These claims are supported by numerical experiments with real and synthetic data.

In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.