Optimization
Distributionally Robust Imitation Learning
We consider the imitation learning problem of learning a policy in a Markov Decision Process (MDP) setting where the reward function is not given, but demonstrations from experts are available. Although the goal of imitation learning is to learn a policy that produces behaviors nearly as good as the experts' for a desired task, assumptions of consistent optimality for demonstrated behaviors are often violated in practice. Finding a policy that is distributionally robust against noisy demonstrations based on an adversarial construction potentially solves this problem by avoiding optimistic generalizations of the demonstrated data. This paper studies Distributionally Robust Imitation Learning (DRoIL) and establishes a close connection between DRoIL and Maximum Entropy Inverse Reinforcement Learning. We show that DRoIL can be seen as a framework that maximizes a generalized concept of entropy. We develop a novel approach to transform the objective function into a convex optimization problem over a polynomial number of variables for a class of loss functions that are additive over state and action spaces. Our approach lets us optimize both stationary and non-stationary policies and, unlike prevalent previous methods, it does not require repeatedly solving an inner reinforcement learning problem. We experimentally show the significant benefits of DRoIL's new optimization method on synthetic data and a highway driving environment.
High-Dimensional Contextual Policy Search with Unknown Context Rewards using Bayesian Optimization
Contextual policies are used in many settings to customize system parameters and actions to the specifics of a particular setting. In some real-world settings, such as randomized controlled trials or A/B tests, it may not be possible to measure policy outcomes at the level of context--we observe only aggregate rewards across a distribution of contexts. This makes policy optimization much more difficult because we must solve a high-dimensional optimization problem over the entire space of contextual policies, for which existing optimization methods are not suitable. We develop effective models that leverage the structure of the search space to enable contextual policy optimization directly from the aggregate rewards using Bayesian optimization. We use a collection of simulation studies to characterize the performance and robustness of the models, and show that our approach of inferring a low-dimensional context embedding performs best. Finally, we show successful contextual policy optimization in a real-world video bitrate policy problem.
Beyond Lazy Training for Over-parameterized Tensor Decomposition
Over-parametrization is an important technique in training neural networks. In both theory and practice, training a larger network allows the optimization algorithm to avoid bad local optimal solutions. In this paper we study a closely related tensor decomposition problem: given an $l$-th order tensor in $(R^d)^{\otimes l}$ of rank $r$ (where $r\ll d$), can variants of gradient descent find a rank $m$ decomposition where $m > r$? We show that in a lazy training regime (similar to the NTK regime for neural networks) one needs at least $m = \Omega(d^{l-1})$, while a variant of gradient descent can find an approximate tensor when $m = O^*(r^{2.5l}\log
Fairly Recommending with Social Attributes: A Flexible and Controllable Optimization Approach
Item-side group fairness (IGF) requires a recommendation model to treat different item groups similarly, and has a crucial impact on information diffusion, consumption activity, and market equilibrium. Previous IGF notions only focus on the direct utility of the item exposures, i.e., the exposure numbers across different item groups. Nevertheless, the item exposures also facilitate utility gained from the neighboring users via social influence, called social utility, such as information sharing on the social media. To fill this gap, this paper introduces two social attribute-aware IGF metrics, which require similar user social attributes on the exposed items across the different item groups. In light of the trade-off between the direct utility and social utility, we formulate a new multi-objective optimization problem for training recommender models with flexible trade-off while ensuring controllable accuracy. To solve this problem, we develop a gradient-based optimization algorithm and theoretically show that the proposed algorithm can find Pareto optimal solutions with varying trade-off and guaranteed accuracy.
The Convex Relaxation Barrier, Revisited: Tightened Single-Neuron Relaxations for Neural Network Verification
We improve the effectiveness of propagation-and linear-optimization-based neural network verification algorithms with a new tightened convex relaxation for ReLU neurons. Unlike previous single-neuron relaxations which focus only on the univariate input space of the ReLU, our method considers the multivariate input space of the affine pre-activation function preceding the ReLU. Using results from submodularity and convex geometry, we derive an explicit description of the tightest possible convex relaxation when this multivariate input is over a box domain. We show that our convex relaxation is significantly stronger than the commonly used univariate-input relaxation which has been proposed as a natural convex relaxation barrier for verification. While our description of the relaxation may require an exponential number of inequalities, we show that they can be separated in linear time and hence can be efficiently incorporated into optimization algorithms on an as-needed basis. Based on this novel relaxation, we design two polynomial-time algorithms for neural network verification: a linear-programming-based algorithm that leverages the full power of our relaxation, and a fast propagation algorithm that generalizes existing approaches. In both cases, we show that for a modest increase in computational effort, our strengthened relaxation enables us to verify a significantly larger number of instances compared to similar algorithms.
BoTorch: A Framework for Efficient Monte-Carlo Bayesian Optimization
Bayesian optimization provides sample-efficient global optimization for a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. We introduce BoTorch, a modern programming framework for Bayesian optimization that combines Monte-Carlo (MC) acquisition functions, a novel sample average approximation optimization approach, auto-differentiation, and variance reduction techniques. BoTorch's modular design facilitates flexible specification and optimization of probabilistic models written in PyTorch, simplifying implementation of new acquisition functions. Our approach is backed by novel theoretical convergence results and made practical by a distinctive algorithmic foundation that leverages fast predictive distributions, hardware acceleration, and deterministic optimization. We also propose a novel one-shot formulation of the Knowledge Gradient, enabled by a combination of our theoretical and software contributions. In experiments, we demonstrate the improved sample efficiency of BoTorch relative to other popular libraries.
MomentumSMoE: Integrating Momentum into Sparse Mixture of Experts
Sparse Mixture of Experts (SMoE) has become the key to unlocking unparalleled scalability in deep learning. SMoE has the potential to exponentially increase in parameter count while maintaining the efficiency of the model by only activating a small subset of these parameters for a given sample. However, it has been observed that SMoE suffers from unstable training and has difficulty adapting to new distributions, leading to the model's lack of robustness to data contamination. To overcome these limitations, we first establish a connection between the dynamics of the expert representations in SMoEs and gradient descent on a multi-objective optimization problem. Leveraging our framework, we then integrate momentum into SMoE and propose a new family of SMoEs, named MomentumSMoE. We theoretically prove and numerically validate that MomentumSMoE is more stable and robust than SMoE. In particular, we verify the advantages of MomentumSMoE over SMoE on a variety of practical tasks including ImageNet-1K object recognition and WikiText-103 language modeling. We demonstrate the applicability of MomentumSMoE to many types of SMoE models, including those in the Sparse MoE model for vision (V-MoE) and the Generalist Language Model (GLaM). We also show that other advanced momentum-based optimization methods, such as Adam, can be easily incorporated into the MomentumSMoE framework for designing new SMoE models with even better performance, almost negligible additional computation cost, and simple implementations.
Unbalanced Optimal Transport through Non-negative Penalized Linear Regression
This paper addresses the problem of Unbalanced Optimal Transport (UOT) in which the marginal conditions are relaxed (using weighted penalties in lieu of equality) and no additional regularization is enforced on the OT plan. In this context, we show that the corresponding optimization problem can be reformulated as a non-negative penalized linear regression problem. This reformulation allows us to propose novel algorithms inspired from inverse problems and nonnegative matrix factorization. In particular, we consider majorization-minimization which leads in our setting to efficient multiplicative updates for a variety of penalties. Furthermore, we derive for the first time an efficient algorithm to compute the regularization path of UOT with quadratic penalties. The proposed algorithm provides a continuity of piece-wise linear OT plans converging to the solution of balanced OT (corresponding to infinite penalty weights). We perform several numerical experiments on simulated and real data illustrating the new algorithms, and provide a detailed discussion about more sophisticated optimization tools that can further be used to solve OT problems thanks to our reformulation.
Statistical Estimation in the Spiked Tensor Model via the Quantum Approximate Optimization Algorithm
The quantum approximate optimization algorithm (QAOA) is a general-purpose algorithm for combinatorial optimization that has been a promising avenue for near-term quantum advantage. In this paper, we analyze the performance of the QAOA on the spiked tensor model, a statistical estimation problem that exhibits a large computational-statistical gap classically. We prove that the weak recovery threshold of $1$-step QAOA matches that of $1$-step tensor power iteration. Additional heuristic calculations suggest that the weak recovery threshold of $p$-step QAOA matches that of $p$-step tensor power iteration when $p$ is a fixed constant. This further implies that multi-step QAOA with tensor unfolding could achieve, but not surpass, the asymptotic classical computation threshold $\Theta(n^{(q-2)/4})$ for spiked $q$-tensors. Meanwhile, we characterize the asymptotic overlap distribution for $p$-step QAOA, discovering an intriguing sine-Gaussian law verified through simulations. For some $p$ and $q$, the QAOA has an effective recovery threshold that is a constant factor better than tensor power iteration.Of independent interest, our proof techniques employ the Fourier transform to handle difficult combinatorial sums, a novel approach differing from prior QAOA analyses on spin-glass models without planted structure.
Risk Bounds and Calibration for a Smart Predict-then-Optimize Method
The predict-then-optimize framework is fundamental in practical stochastic decision-making problems: first predict unknown parameters of an optimization model, then solve the problem using the predicted values. A natural loss function in this setting is defined by measuring the decision error induced by the predicted parameters, which was named the Smart Predict-then-Optimize (SPO) loss by Elmachtoub and Grigas [2021]. Since the SPO loss is typically nonconvex and possibly discontinuous, Elmachtoub and Grigas [2021] introduced a convex surrogate, called the SPO+ loss, that importantly accounts for the underlying structure of the optimization model. In this paper, we greatly expand upon the consistency results for the SPO+ loss provided by Elmachtoub and Grigas [2021]. We develop risk bounds and uniform calibration results for the SPO+ loss relative to the SPO loss, which provide a quantitative way to transfer the excess surrogate risk to excess true risk. By combining our risk bounds with generalization bounds, we show that the empirical minimizer of the SPO+ loss achieves low excess true risk with high probability. We first demonstrate these results in the case when the feasible region of the underlying optimization problem is a polyhedron, and then we show that the results can be strengthened substantially when the feasible region is a level set of a strongly convex function. We perform experiments to empirically demonstrate the strength of the SPO+ surrogate, as compared to standard $\ell_1$ and squared $\ell_2$ prediction error losses, on portfolio allocation and cost-sensitive multi-class classification problems.