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 Optimization


Handling correlated and repeated measurements with the smoothed multivariate square-root Lasso

Neural Information Processing Systems

A limitation of Lasso-type estimators is that the optimal regularization parameter depends on the unknown noise level. Estimators such as the concomitant Lasso address this dependence by jointly estimating the noise level and the regression coefficients. Additionally, in many applications, the data is obtained by averaging multiple measurements: this reduces the noise variance, but it dramatically reduces sample sizes and prevents refined noise modeling. In this work, we propose a concomitant estimator that can cope with complex noise structure by using non-averaged measurements, its data-fitting term arising as a smoothing of the nuclear norm. The resulting optimization problem is convex and amenable, thanks to smoothing theory, to state-of-the-art optimization techniques that leverage the sparsity of the solutions. Practical benefits are demonstrated on toy datasets, realistic simulated data and real neuroimaging data.


An Algorithm for Learning Switched Linear Dynamics from Data

Neural Information Processing Systems

We present an algorithm for learning switched linear dynamical systems in discrete time from noisy observations of the system's full state or output. Switched linear systems use multiple linear dynamical modes to fit the data within some desired tolerance. They arise quite naturally in applications to robotics and cyber-physical systems. Learning switched systems from data is a NP-hard problem that is nearly identical to the $k$-linear regression problem of fitting $k > 1$ linear models to the data. A direct mixed-integer linear programming (MILP) approach yields time complexity that is exponential in the number of data points. In this paper, we modify the problem formulation to yield an algorithm that is linear in the size of the data while remaining exponential in the number of state variables and the desired number of modes. To do so, we combine classic ideas from the ellipsoidal method for solving convex optimization problems, and well-known oracle separation results in non-smooth optimization. We demonstrate our approach on a set of microbenchmarks and a few interesting real-world problems. Our evaluation suggests that the benefits of this algorithm can be made practical even against highly optimized off-the-shelf MILP solvers.


No-regret Online Learning over Riemannian Manifolds

Neural Information Processing Systems

We consider online optimization over Riemannian manifolds, where a learner attempts to minimize a sequence of time-varying loss functions defined on Riemannian manifolds. Though many Euclidean online convex optimization algorithms have been proven useful in a wide range of areas, less attention has been paid to their Riemannian counterparts. In this paper, we study Riemannian online gradient descent (R-OGD) on Hadamard manifolds for both geodesically convex and strongly geodesically convex loss functions, and Riemannian bandit algorithm (R-BAN) on Hadamard homogeneous manifolds for geodesically convex functions. We establish upper bounds on the regrets of the problem with respect to time horizon, manifold curvature, and manifold dimension. We also find a universal lower bound for the achievable regret by constructing an online convex optimization problem on Hadamard manifolds. All the obtained regret bounds match the corresponding results are provided in Euclidean spaces.


Robust Imitation via Mirror Descent Inverse Reinforcement Learning

Neural Information Processing Systems

Recently, adversarial imitation learning has shown a scalable reward acquisition method for inverse reinforcement learning (IRL) problems. However, estimated reward signals often become uncertain and fail to train a reliable statistical model since the existing methods tend to solve hard optimization problems directly. Inspired by a first-order optimization method called mirror descent, this paper proposes to predict a sequence of reward functions, which are iterative solutions for a constrained convex problem. IRL solutions derived by mirror descent are tolerant to the uncertainty incurred by target density estimation since the amount of reward learning is regulated with respect to local geometric constraints. We prove that the proposed mirror descent update rule ensures robust minimization of a Bregman divergence in terms of a rigorous regret bound of $\mathcal{O}(1/T)$ for step sizes $\{\eta_t\}_{t=1}^{T}$. Our IRL method was applied on top of an adversarial framework, and it outperformed existing adversarial methods in an extensive suite of benchmarks.


Practical Two-Step Lookahead Bayesian Optimization

Neural Information Processing Systems

Expected improvement and other acquisition functions widely used in Bayesian optimization use a one-step assumption: they value objective function evaluations assuming no future evaluations will be performed. Because we usually evaluate over multiple steps, this assumption may leave substantial room for improvement. Existing theory gives acquisition functions looking multiple steps in the future but calculating them requires solving a high-dimensional continuous-state continuous-action Markov decision process (MDP). Fast exact solutions of this MDP remain out of reach of today's methods. As a result, previous two-and multi-step lookahead Bayesian optimization algorithms are either too expensive to implement in most practical settings or resort to heuristics that may fail to fully realize the promise of two-step lookahead. This paper proposes a computationally efficient algorithm that provides an accurate solution to the two-step lookahead Bayesian optimization problem in seconds to at most several minutes of computation per batch of evaluations. The resulting acquisition function provides increased query efficiency and robustness compared with previous two-and multi-step lookahead methods in both single-threaded and batch experiments. This unlocks the value of two-step lookahead in practice. We demonstrate the value of our algorithm with extensive experiments on synthetic test functions and real-world problems.


Boosting the Transferability of Adversarial Attacks with Reverse Adversarial Perturbation

Neural Information Processing Systems

Deep neural networks (DNNs) have been shown to be vulnerable to adversarial examples, which can produce erroneous predictions by injecting imperceptible perturbations. In this work, we study the transferability of adversarial examples, which is significant due to its threat to real-world applications where model architecture or parameters are usually unknown. Many existing works reveal that the adversarial examples are likely to overfit the surrogate model that they are generated from, limiting its transfer attack performance against different target models. To mitigate the overfitting of the surrogate model, we propose a novel attack method, dubbed reverse adversarial perturbation (RAP). Specifically, instead of minimizing the loss of a single adversarial point, we advocate seeking adversarial example located at a region with unified low loss value, by injecting the worst-case perturbation (the reverse adversarial perturbation) for each step of the optimization procedure.


Learning Interpretable Decision Rule Sets: A Submodular Optimization Approach

Neural Information Processing Systems

Rule sets are highly interpretable logical models in which the predicates for decision are expressed in disjunctive normal form (DNF, OR-of-ANDs), or, equivalently, the overall model comprises an unordered collection of if-then decision rules. In this paper, we consider a submodular optimization based approach for learning rule sets. The learning problem is framed as a subset selection task in which a subset of all possible rules needs to be selected to form an accurate and interpretable rule set. We employ an objective function that exhibits submodularity and thus is amenable to submodular optimization techniques. To overcome the difficulty arose from dealing with the exponential-sized ground set of rules, the subproblem of searching a rule is casted as another subset selection task that asks for a subset of features. We show it is possible to write the induced objective function for the subproblem as a difference of two submodular (DS) functions to make it approximately solvable by DS optimization algorithms. Overall, the proposed approach is simple, scalable, and likely to be benefited from further research on submodular optimization. Experiments on real datasets demonstrate the effectiveness of our method.


Unsupervised Visual Representation Learning via Mutual Information Regularized Assignment

Neural Information Processing Systems

This paper proposes Mutual Information Regularized Assignment (MIRA), a pseudo-labeling algorithm for unsupervised representation learning inspired by information maximization. We formulate online pseudo-labeling as an optimization problem to find pseudo-labels that maximize the mutual information between the label and data while being close to a given model probability. We derive a fixed-point iteration method and prove its convergence to the optimal solution. In contrast to baselines, MIRA combined with pseudo-label prediction enables a simple yet effective clustering-based representation learning without incorporating extra training techniques or artificial constraints such as sampling strategy, equipartition constraints, etc. With relatively small training epochs, representation learned by MIRA achieves state-of-the-art performance on various downstream tasks, including the linear/${\it k}$-NN evaluation and transfer learning. Especially, with only 400 epochs, our method applied to ImageNet dataset with ResNet-50 architecture achieves 75.6% linear evaluation accuracy.


Failure-Aware Gaussian Process Optimization with Regret Bounds

Neural Information Processing Systems

Real-world optimization problems often require black-box optimization with observation failure, where we can obtain the objective function value if we succeed, otherwise, we can only obtain a fact of failure. Moreover, this failure region can be complex by several latent constraints, whose number is also unknown. For this problem, we propose a failure-aware Gaussian process upper confidence bound (F-GP-UCB), which only requires a mild assumption for the observation failure that an optimal solution lies on an interior of a feasible region. Furthermore, we show that the number of successful observations grows linearly, by which we provide the first regret upper bounds and the convergence of F-GP-UCB. We demonstrate the effectiveness of F-GP-UCB in several benchmark functions, including the simulation function motivated by material synthesis experiments.


Inducing Equilibria via Incentives: Simultaneous Design-and-Play Ensures Global Convergence

Neural Information Processing Systems

To regulate a social system comprised of self-interested agents, economic incentives are often required to induce a desirable outcome. This incentive design problem naturally possesses a bilevel structure, in which a designer modifies the payoffs of the agents with incentives while anticipating the response of the agents, who play a non-cooperative game that converges to an equilibrium. The existing bilevel optimization algorithms raise a dilemma when applied to this problem: anticipating how incentives affect the agents at equilibrium requires solving the equilibrium problem repeatedly, which is computationally inefficient; bypassing the time-consuming step of equilibrium-finding can reduce the computational cost, but may lead the designer to a sub-optimal solution. To address such a dilemma, we propose a method that tackles the designer's and agents' problems simultaneously in a single loop. Specifically, at each iteration, both the designer and the agents only move one step. Nevertheless, we allow the designer to gradually learn the overall influence of the incentives on the agents, which guarantees optimality after convergence. The convergence rate of the proposed scheme is also established for a broad class of games.