Gradient Descent
Variational Actor-Critic Algorithms
We introduce a class of variational actor-critic algorithms based on a variational formulation over both the value function and the policy. The objective function of the variational formulation consists of two parts: one for maximizing the value function and the other for minimizing the Bellman residual. Besides the vanilla gradient descent with both the value function and the policy updates, we propose two variants, the clipping method and the flipping method, in order to speed up the convergence. We also prove that, when the prefactor of the Bellman residual is sufficiently large, the fixed point of the algorithm is close to the optimal policy.
Scalable Estimation for Structured Additive Distributional Regression
Umlauf, Nikolaus, Seiler, Johannes, Wetscher, Mattias, Simon, Thorsten, Lang, Stefan, Klein, Nadja
Recently, fitting probabilistic models have gained importance in many areas but estimation of such distributional models with very large data sets is a difficult task. In particular, the use of rather complex models can easily lead to memory-related efficiency problems that can make estimation infeasible even on high-performance computers. We therefore propose a novel backfitting algorithm, which is based on the ideas of stochastic gradient descent and can deal virtually with any amount of data on a conventional laptop. The algorithm performs automatic selection of variables and smoothing parameters, and its performance is in most cases superior or at least equivalent to other implementations for structured additive distributional regression, e.g., gradient boosting, while maintaining low computation time. Performance is evaluated using an extensive simulation study and an exceptionally challenging and unique example of lightning count prediction over Austria. A very large dataset with over 9 million observations and 80 covariates is used, so that a prediction model cannot be estimated with standard distributional regression methods but with our new approach.
Accelerated Riemannian Optimization: Handling Constraints with a Prox to Bound Geometric Penalties
Martรญnez-Rubio, David, Pokutta, Sebastian
We propose a globally-accelerated, first-order method for the optimization of smooth and (strongly or not) geodesically-convex functions in a wide class of Hadamard manifolds. We achieve the same convergence rates as Nesterov's accelerated gradient descent, up to a multiplicative geometric penalty and log factors. Crucially, we can enforce our method to stay within a compact set we define. Prior fully accelerated works \emph{resort to assuming} that the iterates of their algorithms stay in some pre-specified compact set, except for two previous methods of limited applicability. For our manifolds, this solves the open question in [KY22] about obtaining global general acceleration without iterates assumptively staying in the feasible set. In our solution, we design an accelerated Riemannian inexact proximal point algorithm, which is a result that was unknown even with exact access to the proximal operator, and is of independent interest. For smooth functions, we show we can implement the prox step inexactly with first-order methods in Riemannian balls of certain diameter that is enough for global accelerated optimization.
Heuristic for Diverse Kemeny Rank Aggregation based on Quantum Annealing
Fiergolla, Sven, Goergen, Kevin, Neises, Patrick, Wolf, Petra
The Kemeny Rank Aggregation (KRA) problem is a well-studied problem in the field of Social Choice with a variety of applications in many different areas like databases and search engines. Intuitively, given a set of votes over a set of candidates, the problem asks to find an aggregated ranking of candidates that minimizes the overall dissatisfaction concerning the votes. Recently, a diverse version of KRA was considered which asks for a sufficiently diverse set of sufficiently good solutions. The framework of diversity of solutions is a young and thriving topic in the field of artificial intelligence. The main idea is to provide the user with not just one, but with a set of different solutions, enabling her to pick a sufficiently good solution that satisfies additional subjective criteria that are hard or impossible to model. In this work, we use a quantum annealer to solve the KRA problem and to compute a representative set of solutions. Quantum annealing is a meta search heuristic that does not only show promising runtime behavior on currently existing prototypes but also samples the solutions space in an inherently different way, making use of quantum effects. We describe how KRA instances can be solved by a quantum annealer and provide an implementation as well as experimental evaluations. As existing quantum annealers are still restricted in their number of qubits, we further implement two different data reduction rules that can split an instance into a set of smaller instances. In our evaluation, we compare classical heuristics that allow to sample multiple solutions such as simulated annealing and local search with quantum annealing performed on a physical quantum annealer. We compare runtime, quality of solution, and diversity of solutions, with and without applying preceding data reduction rules.
Toward Theoretical Guidance for Two Common Questions in Practical Cross-Validation based Hyperparameter Selection
Ram, Parikshit, Gray, Alexander G., Samulowitz, Horst C., Bramble, Gregory
We show, to our knowledge, the first theoretical treatments of two common questions in cross-validation based hyperparameter selection: (1) After selecting the best hyperparameter using a held-out set, we train the final model using {\em all} of the training data -- since this may or may not improve future generalization error, should one do this? (2) During optimization such as via SGD (stochastic gradient descent), we must set the optimization tolerance $\rho$ -- since it trades off predictive accuracy with computation cost, how should one set it? Toward these problems, we introduce the {\em hold-in risk} (the error due to not using the whole training data), and the {\em model class mis-specification risk} (the error due to having chosen the wrong model class) in a theoretical view which is simple, general, and suggests heuristics that can be used when faced with a dataset instance. In proof-of-concept studies in synthetic data where theoretical quantities can be controlled, we show that these heuristics can, respectively, (1) always perform at least as well as always performing retraining or never performing retraining, (2) either improve performance or reduce computational overhead by $2\times$ with no loss in predictive performance.
Benign Underfitting of Stochastic Gradient Descent
Koren, Tomer, Livni, Roi, Mansour, Yishay, Sherman, Uri
We study to what extent may stochastic gradient descent (SGD) be understood as a "conventional" learning rule that achieves generalization performance by obtaining a good fit to training data. We consider the fundamental stochastic convex optimization framework, where (one pass, without-replacement) SGD is classically known to minimize the population risk at rate $O(1/\sqrt n)$, and prove that, surprisingly, there exist problem instances where the SGD solution exhibits both empirical risk and generalization gap of $\Omega(1)$. Consequently, it turns out that SGD is not algorithmically stable in any sense, and its generalization ability cannot be explained by uniform convergence or any other currently known generalization bound technique for that matter (other than that of its classical analysis). We then continue to analyze the closely related with-replacement SGD, for which we show that an analogous phenomenon does not occur and prove that its population risk does in fact converge at the optimal rate. Finally, we interpret our main results in the context of without-replacement SGD for finite-sum convex optimization problems, and derive upper and lower bounds for the multi-epoch regime that significantly improve upon previously known results.
Efficient Natural Gradient Descent Methods for Large-Scale PDE-Based Optimization Problems
Nurbekyan, Levon, Lei, Wanzhou, Yang, Yunan
We propose efficient numerical schemes for implementing the natural gradient descent (NGD) for a broad range of metric spaces with applications to PDE-based optimization problems. Our technique represents the natural gradient direction as a solution to a standard least-squares problem. Hence, instead of calculating, storing, or inverting the information matrix directly, we apply efficient methods from numerical linear algebra. We treat both scenarios where the Jacobian, i.e., the derivative of the state variable with respect to the parameter, is either explicitly known or implicitly given through constraints. We can thus reliably compute several natural NGDs for a large-scale parameter space. In particular, we are able to compute Wasserstein NGD in thousands of dimensions, which was believed to be out of reach. Finally, our numerical results shed light on the qualitative differences between the standard gradient descent and various NGD methods based on different metric spaces in nonconvex optimization problems.
On the Convergence of Stochastic Gradient Descent in Low-precision Number Formats
Cacciola, Matteo, Frangioni, Antonio, Asgharian, Masoud, Ghaffari, Alireza, Nia, Vahid Partovi
Deep learning models are dominating almost all artificial intelligence tasks such as vision, text, and speech processing. Stochastic Gradient Descent (SGD) is the main tool for training such models, where the computations are usually performed in single-precision floating-point number format. The convergence of single-precision SGD is normally aligned with the theoretical results of real numbers since they exhibit negligible error. However, the numerical error increases when the computations are performed in low-precision number formats. This provides compelling reasons to study the SGD convergence adapted for low-precision computations. We present both deterministic and stochastic analysis of the SGD algorithm, obtaining bounds that show the effect of number format. Such bounds can provide guidelines as to how SGD convergence is affected when constraints render the possibility of performing high-precision computations remote.
Optimistic Meta-Gradients
Flennerhag, Sebastian, Zahavy, Tom, O'Donoghue, Brendan, van Hasselt, Hado, Gyรถrgy, Andrรกs, Singh, Satinder
We study the connection between gradient-based meta-learning and convex op-timisation. We observe that gradient descent with momentum is a special case of meta-gradients, and building on recent results in optimisation, we prove convergence rates for meta-learning in the single task setting. While a meta-learned update rule can yield faster convergence up to constant factor, it is not sufficient for acceleration. Instead, some form of optimism is required. We show that optimism in meta-learning can be captured through Bootstrapped Meta-Gradients (Flennerhag et al., 2022), providing deeper insight into its underlying mechanics.
Fast and Correct Gradient-Based Optimisation for Probabilistic Programming via Smoothing
Khajwal, Basim, Ong, C. -H. Luke, Wagner, Dominik
We study the foundations of variational inference, which frames posterior inference as an optimisation problem, for probabilistic programming. The dominant approach for optimisation in practice is stochastic gradient descent. In particular, a variant using the so-called reparameterisation gradient estimator exhibits fast convergence in a traditional statistics setting. Unfortunately, discontinuities, which are readily expressible in programming languages, can compromise the correctness of this approach. We consider a simple (higher-order, probabilistic) programming language with conditionals, and we endow our language with both a measurable and a smoothed (approximate) value semantics. We present type systems which establish technical pre-conditions. Thus we can prove stochastic gradient descent with the reparameterisation gradient estimator to be correct when applied to the smoothed problem. Besides, we can solve the original problem up to any error tolerance by choosing an accuracy coefficient suitably. Empirically we demonstrate that our approach has a similar convergence as a key competitor, but is simpler, faster, and attains orders of magnitude reduction in work-normalised variance.