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 Optimization


MomentumSMoE: Integrating Momentum into Sparse Mixture of Experts

Neural Information Processing Systems

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

Neural Information Processing Systems

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

Neural Information Processing Systems

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

Neural Information Processing Systems

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.


Constrained Stochastic Nonconvex Optimization with State-dependent Markov Data

Neural Information Processing Systems

We study stochastic optimization algorithms for constrained nonconvex stochastic optimization problems with Markovian data. In particular, we focus on the case when the transition kernel of the Markov chain is state-dependent. Such stochastic optimization problems arise in various machine learning problems including strategic classification and reinforcement learning. For this problem, we study both projection-based and projection-free algorithms. In both cases, we establish that the number of calls to the stochastic first-order oracle to obtain an appropriately defined $\epsilon$-stationary point is of the order $\mathcal{O}(1/\epsilon^{2.5})$. In the projection-free setting we additionally establish that the number of calls to the linear minimization oracle is of order $\mathcal{O}(1/\epsilon^{5.5})$. We also empirically demonstrate the performance of our algorithm on the problem of strategic classification with neural networks.


When to Update Your Model: Constrained Model-based Reinforcement Learning

Neural Information Processing Systems

Designing and analyzing model-based RL (MBRL) algorithms with guaranteed monotonic improvement has been challenging, mainly due to the interdependence between policy optimization and model learning. Existing discrepancy bounds generally ignore the impacts of model shifts, and their corresponding algorithms are prone to degrade performance by drastic model updating. In this work, we first propose a novel and general theoretical scheme for a non-decreasing performance guarantee of MBRL. Our follow-up derived bounds reveal the relationship between model shifts and performance improvement. These discoveries encourage us to formulate a constrained lower-bound optimization problem to permit the monotonicity of MBRL. A further example demonstrates that learning models from a dynamically-varying number of explorations benefit the eventual returns. Motivated by these analyses, we design a simple but effective algorithm CMLO (Constrained Model-shift Lower-bound Optimization), by introducing an event-triggered mechanism that flexibly determines when to update the model. Experiments show that CMLO surpasses other state-of-the-art methods and produces a boost when various policy optimization methods are employed.


A Surrogate Objective Framework for Prediction+Programming with Soft Constraints

Neural Information Processing Systems

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal of the downstream optimization problem. Recently, decision-focused prediction approaches, such as SPO+ and direct optimization, have been proposed to fill this gap. However, they cannot directly handle the soft constraints with the max operator required in many real-world objectives. This paper proposes a novel analytically differentiable surrogate objective framework for real-world linear and semi-definite negative quadratic programming problems with soft linear and non-negative hard constraints. This framework gives the theoretical bounds on constraints' multipliers, and derives the closed-form solution with respect to predictive parameters and thus gradients for any variable in the problem.


Stochastic Multiple Target Sampling Gradient Descent

Neural Information Processing Systems

Sampling from an unnormalized target distribution is an essential problem with many applications in probabilistic inference. Stein Variational Gradient Descent (SVGD) has been shown to be a powerful method that iteratively updates a set of particles to approximate the distribution of interest. Furthermore, when analysing its asymptotic properties, SVGD reduces exactly to a single-objective optimization problem and can be viewed as a probabilistic version of this single-objective optimization problem. A natural question then arises: ``Can we derive a probabilistic version of the multi-objective optimization?''. To answer this question, we propose Stochastic Multiple Target Sampling Gradient Descent (MT-SGD), enabling us to sample from multiple unnormalized target distributions. Specifically, our MT-SGD conducts a flow of intermediate distributions gradually orienting to multiple target distributions, which allows the sampled particles to move to the joint high-likelihood region of the target distributions. Interestingly, the asymptotic analysis shows that our approach reduces exactly to the multiple-gradient descent algorithm for multi-objective optimization, as expected. Finally, we conduct comprehensive experiments to demonstrate the merit of our approach to multi-task learning.


Multi-Objective Meta Learning

Neural Information Processing Systems

Meta learning with multiple objectives has been attracted much attention recently since many applications need to consider multiple factors when designing learning models. Existing gradient-based works on meta learning with multiple objectives mainly combine multiple objectives into a single objective in a weighted sum manner. This simple strategy usually works but it requires to tune the weights associated with all the objectives, which could be time consuming. Different from those works, in this paper, we propose a gradient-based Multi-Objective Meta Learning (MOML) framework without manually tuning weights. Specifically, MOML formulates the objective function of meta learning with multiple objectives as a Multi-Objective Bi-Level optimization Problem (MOBLP) where the upper-level subproblem is to solve several possibly conflicting objectives for the meta learner. To solve the MOBLP, we devise the first gradient-based optimization algorithm by alternatively solving the lower-level and upper-level subproblems via the gradient descent method and the gradient-based multi-objective optimization method, respectively. Theoretically, we prove the convergence properties of the proposed gradient-based optimization algorithm. Empirically, we show the effectiveness of the proposed MOML framework in several meta learning problems, including few-shot learning, domain adaptation, multi-task learning, and neural architecture search.


Zeroth-Order Hard-Thresholding: Gradient Error vs. Expansivity

Neural Information Processing Systems

Hard-thresholding gradient descent is a dominant technique to solve this problem. However, first-order gradients of the objective function may be either unavailable or expensive to calculate in a lot of real-world problems, where zeroth-order (ZO) gradients could be a good surrogate. Unfortunately, whether ZO gradients can work with the hard-thresholding operator is still an unsolved problem.To solve this puzzle, in this paper, we focus on the $\ell_0$ constrained black-box stochastic optimization problems, and propose a new stochastic zeroth-order gradient hard-thresholding (SZOHT) algorithm with a general ZO gradient estimator powered by a novel random support sampling. We provide the convergence analysis of SZOHT under standard assumptions. Importantly, we reveal a conflict between the deviation of ZO estimators and the expansivity of the hard-thresholding operator, and provide a theoretical minimal value of the number of random directions in ZO gradients. In addition, we find that the query complexity of SZOHT is independent or weakly dependent on the dimensionality under different settings. Finally, we illustrate the utility of our method on a portfolio optimization problem as well as black-box adversarial attacks.