Gradient Descent
On the Proof of Global Convergence of Gradient Descent for Deep ReLU Networks with Linear Widths
This paper studies the global convergence of gradient descent for deep ReLU networks under the square loss. For this setting, the current state-of-the-art results show that gradient descent converges to a global optimum if the widths of all the hidden layers scale at least as $\Omega(N^8)$ ($N$ being the number of training samples). In this paper, we discuss a simple proof framework which allows us to improve the existing over-parameterization condition to linear, quadratic and cubic widths (depending on the type of initialization scheme and/or the depth of the network).
Noisy intermediate-scale quantum (NISQ) algorithms
Bharti, Kishor, Cervera-Lierta, Alba, Kyaw, Thi Ha, Haug, Tobias, Alperin-Lea, Sumner, Anand, Abhinav, Degroote, Matthias, Heimonen, Hermanni, Kottmann, Jakob S., Menke, Tim, Mok, Wai-Keong, Sim, Sukin, Kwek, Leong-Chuan, Aspuru-Guzik, Alán
A universal fault-tolerant quantum computer that can solve efficiently problems such as integer factorization and unstructured database search requires millions of qubits with low error rates and long coherence times. While the experimental advancement towards realizing such devices will potentially take decades of research, noisy intermediate-scale quantum (NISQ) computers already exist. These computers are composed of hundreds of noisy qubits, i.e. qubits that are not error-corrected, and therefore perform imperfect operations in a limited coherence time. In the search for quantum advantage with these devices, algorithms have been proposed for applications in various disciplines spanning physics, machine learning, quantum chemistry and combinatorial optimization. The goal of such algorithms is to leverage the limited available resources to perform classically challenging tasks. In this review, we provide a thorough summary of NISQ computational paradigms and algorithms. We discuss the key structure of these algorithms, their limitations, and advantages. We additionally provide a comprehensive overview of various benchmarking and software tools useful for programming and testing NISQ devices.
Efficient Multi-objective Reinforcement Learning via Multiple-gradient Descent with Iteratively Discovered Weight-Vector Sets
Solving multi-objective optimization problems is important in various applications where users are interested in obtaining optimal policies subject to multiple (yet often conflicting) objectives. A typical approach to obtain the optimal policies is to first construct a loss function based on the scalarization of individual objectives and then derive optimal policies that minimize the scalarized loss function. Albeit simple and efficient, the typical approach provides no insights/mechanisms on the optimization of multiple objectives due to the lack of ability to quantify the inter-objective relationship. To address the issue, we propose to develop a new efficient gradient-based multi-objective reinforcement learning approach that seeks to iteratively uncover the quantitative inter-objective relationship via finding a minimum-norm point in the convex hull of the set of multiple policy gradients when the impact of one objective on others is unknown a priori. In particular, we first propose a new PAOLS algorithm that integrates pruning and approximate optimistic linear support algorithm to efficiently discover the weight-vector sets of multiple gradients that quantify the inter-objective relationship. Then we construct an actor and a multi-objective critic that can co-learn the policy and the multi-objective vector value function. Finally, the weight discovery process and the policy and vector value function learning process can be iteratively executed to yield stable weight-vector sets and policies. To validate the effectiveness of the proposed approach, we present a quantitative evaluation of the approach based on three case studies.
A New Knowledge Gradient-based Method for Constrained Bayesian Optimization
Chen, Wenjie, Liu, Shengcai, Tang, Ke
Complex systems optimization is a critical challenge in real production and also the hot spot of academic research. The key factors that raise systems' complexity include (but are not limited to): inestimable structures, computationally intensive evaluations, stochastic noise, and multiple key performance indicators (KPIs). A typical example is a simulation-based optimization for an emergency department. Suppose we aim to optimize the patients' flow cost and departments' closeness by determining the corridors' widths via a simulation model. Due to the characteristics of the simulation model, there exists no explicit expression of the input and output, and the estimations are time-consuming and noise-corrupted. Furthermore, the multilevel performance indicators also lay a burden on optimization problems.
Householder Dice: A Matrix-Free Algorithm for Simulating Dynamics on Gaussian and Random Orthogonal Ensembles
In the study of large random systems, researchers often need to simulate dynamics in the form of iterated matrix-vector multiplications interspersed with nonlinear operations. Examples include message passing algorithms, gradient descent, and matrix iterative methods for extremal eigenvalue calculations. This paper proposes a new algorithm, named Householder Dice (HD), for simulating such dynamics on several random matrix ensembles with translation-invariant properties. Examples include the Gaussian ensemble, the Haar-distributed random orthogonal ensemble, and their complex-valued counterparts. A "direct" approach to the simulation, where one first generates a dense $n \times n$ matrix from the ensemble, requires at least $\mathcal{O}(n^2)$ resource in space and time. The HD algorithm overcomes this $\mathcal{O}(n^2)$ bottleneck by using the principle of deferred decisions: rather than fixing the entire random matrix in advance, it lets the randomness unfold with the dynamics. Key to this matrix-free construction is an adaptive and recursive construction of (random) Householder reflectors. These orthogonal transformations exploit the group symmetry of the matrix ensembles, while simultaneously maintaining the statistical correlations induced by the dynamics. The memory and computation costs of the HD algorithm are $\mathcal{O}(nT)$ and $\mathcal{O}(nT^2)$, respectively, with $T$ being the number of iterations. When $T \ll n$, which is nearly always the case in practice, the HD algorithm leads to significant reductions in runtime and memory footprint. Numerical results demonstrate the promise of the new algorithm as a new computational tool in the study of high-dimensional random systems.
Guided parallelized stochastic gradient descent for delay compensation
Stochastic gradient descent (SGD) algorithm and its variations have been effectively used to optimize neural network models. However, with the rapid growth of big data and deep learning, SGD is no longer the most suitable choice due to its natural behavior of sequential optimization of the error function. This has led to the development of parallel SGD algorithms, such as asynchronous SGD (ASGD) and synchronous SGD (SSGD) to train deep neural networks. However, it introduces a high variance due to the delay in parameter (weight) update. We address this delay in our proposed algorithm and try to minimize its impact. We employed guided SGD (gSGD) that encourages consistent examples to steer the convergence by compensating the unpredictable deviation caused by the delay. Its convergence rate is also similar to A/SSGD, however, some additional (parallel) processing is required to compensate for the delay. The experimental results demonstrate that our proposed approach has been able to mitigate the impact of delay for the quality of classification accuracy. The guided approach with SSGD clearly outperforms sequential SGD and even achieves the accuracy close to sequential SGD for some benchmark datasets.
Code Adam Gradient Descent Optimization From Scratch
Gradient descent is an optimization algorithm that follows the negative gradient of an objective function in order to locate the minimum of the function. A limitation of gradient descent is that a single step size (learning rate) is used for all input variables. Extensions to gradient descent like AdaGrad and RMSProp update the algorithm to use a separate step size for each input variable but may result in a step size that rapidly decreases to very small values. The Adaptive Movement Estimation algorithm, or Adam for short, is an extension to gradient descent and a natural successor to techniques like AdaGrad and RMSProp that automatically adapts a learning rate for each input variable for the objective function and further smooths the search process by using an exponentially decreasing moving average of the gradient to make updates to variables. In this tutorial, you will discover how to develop gradient descent with Adam optimization algorithm from scratch.
Provable Generalization of SGD-trained Neural Networks of Any Width in the Presence of Adversarial Label Noise
Frei, Spencer, Cao, Yuan, Gu, Quanquan
We consider a one-hidden-layer leaky ReLU network of arbitrary width trained by stochastic gradient descent following an arbitrary initialization. We prove that stochastic gradient descent (SGD) produces neural networks that have classification accuracy competitive with that of the best halfspace over the distribution for a broad class of distributions that includes log-concave isotropic and hard margin distributions. Equivalently, such networks can generalize when the data distribution is linearly separable but corrupted with adversarial label noise, despite the capacity to overfit. We conduct experiments which suggest that for some distributions our generalization bounds are nearly tight. This is the first result that shows that overparameterized neural networks trained by SGD can generalize when the data is corrupted with adversarial label noise.
Solving Min-Max Optimization with Hidden Structure via Gradient Descent Ascent
Flokas, Lampros, Vlatakis-Gkaragkounis, Emmanouil-Vasileios, Piliouras, Georgios
Many recent AI architectures are inspired by zero-sum games, however, the behavior of their dynamics is still not well understood. Inspired by this, we study standard gradient descent ascent (GDA) dynamics in a specific class of non-convex non-concave zero-sum games, that we call hidden zero-sum games. In this class, players control the inputs of smooth but possibly non-linear functions whose outputs are being applied as inputs to a convex-concave game. Unlike general zero-sum games, these games have a well-defined notion of solution; outcomes that implement the von-Neumann equilibrium of the "hidden" convex-concave game. We prove that if the hidden game is strictly convex-concave then vanilla GDA converges not merely to local Nash, but typically to the von-Neumann solution. If the game lacks strict convexity properties, GDA may fail to converge to any equilibrium, however, by applying standard regularization techniques we can prove convergence to a von-Neumann solution of a slightly perturbed zero-sum game. Our convergence guarantees are non-local, which as far as we know is a first-of-its-kind type of result in non-convex non-concave games. Finally, we discuss connections of our framework with generative adversarial networks.
Beyond Procrustes: Balancing-Free Gradient Descent for Asymmetric Low-Rank Matrix Sensing
Ma, Cong, Li, Yuanxin, Chi, Yuejie
Low-rank matrix estimation plays a central role in various applications across science and engineering. Recently, nonconvex formulations based on matrix factorization are provably solved by simple gradient descent algorithms with strong computational and statistical guarantees. However, when the low-rank matrices are asymmetric, existing approaches rely on adding a regularization term to balance the scale of the two matrix factors which in practice can be removed safely without hurting the performance when initialized via the spectral method. In this paper, we provide a theoretical justification to this for the matrix sensing problem, which aims to recover a low-rank matrix from a small number of linear measurements. As long as the measurement ensemble satisfies the restricted isometry property, gradient descent -- in conjunction with spectral initialization -- converges linearly without the need of explicitly promoting balancedness of the factors; in fact, the factors stay balanced automatically throughout the execution of the algorithm. Our analysis is based on analyzing the evolution of a new distance metric that directly accounts for the ambiguity due to invertible transforms, and might be of independent interest.