Gradient Descent
Learning to Explore for Stochastic Gradient MCMC
Kim, SeungHyun, Jung, Seohyeon, Kim, Seonghyeon, Lee, Juho
Bayesian Neural Networks(BNNs) with high-dimensional parameters pose a challenge for posterior inference due to the multi-modality of the posterior distributions. Stochastic Gradient MCMC(SGMCMC) with cyclical learning rate scheduling is a promising solution, but it requires a large number of sampling steps to explore high-dimensional multi-modal posteriors, making it computationally expensive. In this paper, we propose a meta-learning strategy to build \gls{sgmcmc} which can efficiently explore the multi-modal target distributions. Our algorithm allows the learned SGMCMC to quickly explore the high-density region of the posterior landscape. Also, we show that this exploration property is transferrable to various tasks, even for the ones unseen during a meta-training stage. Using popular image classification benchmarks and a variety of downstream tasks, we demonstrate that our method significantly improves the sampling efficiency, achieving better performance than vanilla \gls{sgmcmc} without incurring significant computational overhead.
Stochastic Semi-Gradient Descent for Learning Mean Field Games with Population-Aware Function Approximation
Zhang, Chenyu, Chen, Xu, Di, Xuan
Mean field games (MFGs) model the interactions within a large-population multi-agent system using the population distribution. Traditional learning methods for MFGs are based on fixed-point iteration (FPI), which calculates best responses and induced population distribution separately and sequentially. However, FPI-type methods suffer from inefficiency and instability, due to oscillations caused by the forward-backward procedure. This paper considers an online learning method for MFGs, where an agent updates its policy and population estimates simultaneously and fully asynchronously, resulting in a simple stochastic gradient descent (SGD) type method called SemiSGD. Not only does SemiSGD exhibit numerical stability and efficiency, but it also provides a novel perspective by treating the value function and population distribution as a unified parameter. We theoretically show that SemiSGD directs this unified parameter along a descent direction to the mean field equilibrium. Motivated by this perspective, we develop a linear function approximation (LFA) for both the value function and the population distribution, resulting in the first population-aware LFA for MFGs on continuous state-action space. Finite-time convergence and approximation error analysis are provided for SemiSGD equipped with population-aware LFA.
Learning Decisions Offline from Censored Observations with {\epsilon}-insensitive Operational Costs
Chen, Minxia, Fu, Ke, Huang, Teng, Bai, Miao
Many important managerial decisions are made based on censored observations. Making decisions without adequately handling the censoring leads to inferior outcomes. We investigate the data-driven decision-making problem with an offline dataset containing the feature data and the censored historical data of the variable of interest without the censoring indicators. Without assuming the underlying distribution, we design and leverage {\epsilon}-insensitive operational costs to deal with the unobserved censoring in an offline data-driven fashion. We demonstrate the customization of the {\epsilon}-insensitive operational costs for a newsvendor problem and use such costs to train two representative ML models, including linear regression (LR) models and neural networks (NNs). We derive tight generalization bounds for the custom LR model without regularization (LR-{\epsilon}NVC) and with regularization (LR-{\epsilon}NVC-R), and a high-probability generalization bound for the custom NN (NN-{\epsilon}NVC) trained by stochastic gradient descent. The theoretical results reveal the stability and learnability of LR-{\epsilon}NVC, LR-{\epsilon}NVC-R and NN-{\epsilon}NVC. We conduct extensive numerical experiments to compare LR-{\epsilon}NVC-R and NN-{\epsilon}NVC with two existing approaches, estimate-as-solution (EAS) and integrated estimation and optimization (IEO). The results show that LR-{\epsilon}NVC-R and NN-{\epsilon}NVC outperform both EAS and IEO, with maximum cost savings up to 14.40% and 12.21% compared to the lowest cost generated by the two existing approaches. In addition, LR-{\epsilon}NVC-R's and NN-{\epsilon}NVC's order quantities are statistically significantly closer to the optimal solutions should the underlying distribution be known.
Faster Stochastic Optimization with Arbitrary Delays via Asynchronous Mini-Batching
Attia, Amit, Gaash, Ofir, Koren, Tomer
We consider the problem of asynchronous stochastic optimization, where an optimization algorithm makes updates based on stale stochastic gradients of the objective that are subject to an arbitrary (possibly adversarial) sequence of delays. We present a procedure which, for any given $q \in (0,1]$, transforms any standard stochastic first-order method to an asynchronous method with convergence guarantee depending on the $q$-quantile delay of the sequence. This approach leads to convergence rates of the form $O(\tau_q/qT+\sigma/\sqrt{qT})$ for non-convex and $O(\tau_q^2/(q T)^2+\sigma/\sqrt{qT})$ for convex smooth problems, where $\tau_q$ is the $q$-quantile delay, generalizing and improving on existing results that depend on the average delay. We further show a method that automatically adapts to all quantiles simultaneously, without any prior knowledge of the delays, achieving convergence rates of the form $O(\inf_{q} \tau_q/qT+\sigma/\sqrt{qT})$ for non-convex and $O(\inf_{q} \tau_q^2/(q T)^2+\sigma/\sqrt{qT})$ for convex smooth problems. Our technique is based on asynchronous mini-batching with a careful batch-size selection and filtering of stale gradients.
Fast Unconstrained Optimization via Hessian Averaging and Adaptive Gradient Sampling Methods
O'Leary-Roseberry, Thomas, Bollapragada, Raghu
We consider minimizing finite-sum and expectation objective functions via Hessian-averaging based subsampled Newton methods. These methods allow for gradient inexactness and have fixed per-iteration Hessian approximation costs. The recent work (Na et al. 2023) demonstrated that Hessian averaging can be utilized to achieve fast $\mathcal{O}\left(\sqrt{\tfrac{\log k}{k}}\right)$ local superlinear convergence for strongly convex functions in high probability, while maintaining fixed per-iteration Hessian costs. These methods, however, require gradient exactness and strong convexity, which poses challenges for their practical implementation. To address this concern we consider Hessian-averaged methods that allow gradient inexactness via norm condition based adaptive-sampling strategies. For the finite-sum problem we utilize deterministic sampling techniques which lead to global linear and sublinear convergence rates for strongly convex and nonconvex functions respectively. In this setting we are able to derive an improved deterministic local superlinear convergence rate of $\mathcal{O}\left(\tfrac{1}{k}\right)$. For the %expected risk expectation problem we utilize stochastic sampling techniques, and derive global linear and sublinear rates for strongly convex and nonconvex functions, as well as a $\mathcal{O}\left(\tfrac{1}{\sqrt{k}}\right)$ local superlinear convergence rate, all in expectation. We present novel analysis techniques that differ from the previous probabilistic results. Additionally, we propose scalable and efficient variations of these methods via diagonal approximations and derive the novel diagonally-averaged Newton (Dan) method for large-scale problems. Our numerical results demonstrate that the Hessian averaging not only helps with convergence, but can lead to state-of-the-art performance on difficult problems such as CIFAR100 classification with ResNets.
Information Geometry and Beta Link for Optimizing Sparse Variational Student-t Processes
Xu, Jian, Zeng, Delu, Paisley, John
Recently, a sparse version of Student-t Processes, termed sparse variational Student-t Processes, has been proposed to enhance computational efficiency and flexibility for real-world datasets using stochastic gradient descent. However, traditional gradient descent methods like Adam may not fully exploit the parameter space geometry, potentially leading to slower convergence and suboptimal performance. To mitigate these issues, we adopt natural gradient methods from information geometry for variational parameter optimization of Student-t Processes. This approach leverages the curvature and structure of the parameter space, utilizing tools such as the Fisher information matrix which is linked to the Beta function in our model. This method provides robust mathematical support for the natural gradient algorithm when using Student's t-distribution as the variational distribution. Additionally, we present a mini-batch algorithm for efficiently computing natural gradients. Experimental results across four benchmark datasets demonstrate that our method consistently accelerates convergence speed.
Variational Learning of Gaussian Process Latent Variable Models through Stochastic Gradient Annealed Importance Sampling
Xu, Jian, Du, Shian, Yang, Junmei, Ma, Qianli, Zeng, Delu
Gaussian Process Latent Variable Models (GPLVMs) have become increasingly popular for unsupervised tasks such as dimensionality reduction and missing data recovery due to their flexibility and non-linear nature. An importance-weighted version of the Bayesian GPLVMs has been proposed to obtain a tighter variational bound. However, this version of the approach is primarily limited to analyzing simple data structures, as the generation of an effective proposal distribution can become quite challenging in high-dimensional spaces or with complex data sets. In this work, we propose an Annealed Importance Sampling (AIS) approach to address these issues. By transforming the posterior into a sequence of intermediate distributions using annealing, we combine the strengths of Sequential Monte Carlo samplers and VI to explore a wider range of posterior distributions and gradually approach the target distribution. We further propose an efficient algorithm by reparameterizing all variables in the evidence lower bound (ELBO). Experimental results on both toy and image datasets demonstrate that our method outperforms state-of-the-art methods in terms of tighter variational bounds, higher log-likelihoods, and more robust convergence.
Don't You (Project Around Discs)? Neural Network Surrogate and Projected Gradient Descent for Calibrating an Intervertebral Disc Finite Element Model
Atad, Matan, Gruber, Gabriel, Ribeiro, Marx, Nicolini, Luis Fernando, Graf, Robert, Möller, Hendrik, Nispel, Kati, Ezhov, Ivan, Rueckert, Daniel, Kirschke, Jan S.
Accurate calibration of finite element (FE) models of human intervertebral discs (IVDs) is essential for their reliability and application in diagnosing and planning treatments for spinal conditions. Traditional calibration methods are computationally intensive, requiring iterative, derivative-free optimization algorithms that often take hours or days to converge. This study addresses these challenges by introducing a novel, efficient, and effective calibration method for an L4-L5 IVD FE model using a neural network (NN) surrogate. The NN surrogate predicts simulation outcomes with high accuracy, outperforming other machine learning models, and significantly reduces the computational cost associated with traditional FE simulations. Next, a Projected Gradient Descent (PGD) approach guided by gradients of the NN surrogate is proposed to efficiently calibrate FE models. Our method explicitly enforces feasibility with a projection step, thus maintaining material bounds throughout the optimization process. The proposed method is evaluated against state-of-the-art Genetic Algorithm (GA) and inverse model baselines on synthetic and in vitro experimental datasets. Our approach demonstrates superior performance on synthetic data, achieving a Mean Absolute Error (MAE) of 0.06 compared to the baselines' MAE of 0.18 and 0.54, respectively. On experimental specimens, our method outperforms the baseline in 5 out of 6 cases. Most importantly, our approach reduces calibration time to under three seconds, compared to up to 8 days per sample required by traditional calibration. Such efficiency paves the way for applying more complex FE models, enabling accurate patient-specific simulations and advancing spinal treatment planning.
Achieving More with Less: A Tensor-Optimization-Powered Ensemble Method
Yuan, Jinghui, Jiang, Weijin, Cao, Zhe, Xie, Fangyuan, Wang, Rong, Nie, Feiping, Yuan, Yuan
Ensemble learning is a method that leverages weak learners to produce a strong learner. However, obtaining a large number of base learners requires substantial time and computational resources. Therefore, it is meaningful to study how to achieve the performance typically obtained with many base learners using only a few. We argue that to achieve this, it is essential to enhance both classification performance and generalization ability during the ensemble process. To increase model accuracy, each weak base learner needs to be more efficiently integrated. It is observed that different base learners exhibit varying levels of accuracy in predicting different classes. To capitalize on this, we introduce confidence tensors $\tilde{\mathbf{\Theta}}$ and $\tilde{\mathbf{\Theta}}_{rst}$ signifies the degree of confidence that the $t$-th base classifier assigns the sample to class $r$ while it actually belongs to class $s$. To the best of our knowledge, this is the first time an evaluation of the performance of base classifiers across different classes has been proposed. The proposed confidence tensor compensates for the strengths and weaknesses of each base classifier in different classes, enabling the method to achieve superior results with a smaller number of base learners. To enhance generalization performance, we design a smooth and convex objective function that leverages the concept of margin, making the strong learner more discriminative. Furthermore, it is proved that in gradient matrix of the loss function, the sum of each column's elements is zero, allowing us to solve a constrained optimization problem using gradient-based methods. We then compare our algorithm with random forests of ten times the size and other classical methods across numerous datasets, demonstrating the superiority of our approach.
High-dimensional optimization for multi-spiked tensor PCA
Arous, Gérard Ben, Gerbelot, Cédric, Piccolo, Vanessa
We study the dynamics of two local optimization algorithms, online stochastic gradient descent (SGD) and gradient flow, within the framework of the multi-spiked tensor model in the high-dimensional regime. This multi-index model arises from the tensor principal component analysis (PCA) problem, which aims to infer $r$ unknown, orthogonal signal vectors within the $N$-dimensional unit sphere through maximum likelihood estimation from noisy observations of an order-$p$ tensor. We determine the number of samples and the conditions on the signal-to-noise ratios (SNRs) required to efficiently recover the unknown spikes from natural initializations. Specifically, we distinguish between three types of recovery: exact recovery of each spike, recovery of a permutation of all spikes, and recovery of the correct subspace spanned by the signal vectors. We show that with online SGD, it is possible to recover all spikes provided a number of sample scaling as $N^{p-2}$, aligning with the computational threshold identified in the rank-one tensor PCA problem [Ben Arous, Gheissari, Jagannath 2020, 2021]. For gradient flow, we show that the algorithmic threshold to efficiently recover the first spike is also of order $N^{p-2}$. However, recovering the subsequent directions requires the number of samples to scale as $N^{p-1}$. Our results are obtained through a detailed analysis of a low-dimensional system that describes the evolution of the correlations between the estimators and the spikes. In particular, the hidden vectors are recovered one by one according to a sequential elimination phenomenon: as one correlation exceeds a critical threshold, all correlations sharing a row or column index decrease and become negligible, allowing the subsequent correlation to grow and become macroscopic. The sequence in which correlations become macroscopic depends on their initial values and on the associated SNRs.