Softmax policy gradient is a popular algorithm for policy optimization in single-agent reinforcement learning, particularly since projection is not needed for each gradient update. However, in multi-agent systems, the lack of central coordination introduces significant additional difficulties in the convergence analysis. Even for a stochastic game with identical interest, there can be multiple Nash Equilibria (NEs), which disables proof techniques that rely on the existence of a unique global optimum. Moreover, the softmax parameterization introduces non-NE policies with zero gradient, making it difficult for gradient-based algorithms in seeking NEs. In this paper, we study the finite time convergence of decentralized softmax gradient play in a special form of game, Markov Potential Games (MPGs), which includes the identical interest game as a special case. We investigate both gradient play and natural gradient play, with and without $\log$-barrier regularization. The established convergence rates for the unregularized cases contain a trajectory dependent constant that can be \emph{arbitrarily large}, whereas the $\log$-barrier regularization overcomes this drawback, with the cost of slightly worse dependence on other factors such as the action set size. An empirical study on an identical interest matrix game confirms the theoretical findings.

In this paper, we analyze the trajectories of stochastic gradient descent (SGD) with the aim of understanding their convergence properties in non-convex problems. We first show that the sequence of iterates generated by SGD remains bounded and converges with probability $1$ under a very broad range of step-size schedules. Subsequently, we prove that the algorithm's rate of convergence to local minimizers with a positive-definite Hessian is $O(1/n^p)$ if the method is run with a $Θ(1/n^p)$ step-size. This provides an important guideline for tuning the algorithm's step-size as it suggests that a cool-down phase with a vanishing step-size could lead to significant performance gains; we demonstrate this heuristic using ResNet architectures on CIFAR. Finally, going beyond existing positive probability guarantees, we show that SGD avoids strict saddle points/manifolds with probability $1$ for the entire spectrum of step-size policies considered.

Detecting out-of-distribution (OOD) samples is vital for developing machine learning based models for critical safety systems. Common approaches for OOD detection assume access to some OOD samples during training which may not be available in a real-life scenario. Instead, we utilize the {\em predictive normalized maximum likelihood} (pNML) learner, in which no assumptions are made on the tested input. We derive an explicit expression of the pNML and its generalization error, denoted as the regret, for a single layer neural network (NN). We show that this learner generalizes well when (i) the test vector resides in a subspace spanned by the eigenvectors associated with the large eigenvalues of the empirical correlation matrix of the training data, or (ii) the test sample is far from the decision boundary. Furthermore, we describe how to efficiently apply the derived pNML regret to any pretrained deep NN, by employing the explicit pNML for the last layer, followed by the softmax function. Applying the derived regret to deep NN requires neither additional tunable parameters nor extra data. We extensively evaluate our approach on 74 OOD detection benchmarks using DenseNet-100, ResNet-34, and WideResNet-40 models trained with CIFAR-100, CIFAR-10, SVHN, and ImageNet-30 showing a significant improvement of up to 15.6% over recent leading methods.

The practical success of overparameterized neural networks has motivated the recent scientific study of \emph{interpolating methods}-- learning methods which are able fit their training data perfectly. Empirically, certain interpolating methods can fit noisy training data without catastrophically bad test performance, which defies standard intuitions from statistical learning theory. Aiming to explain this, a large body of recent work has studied \emph{benign overfitting}, a behavior seen in certain asymptotic settings under which interpolating methods approach Bayes-optimality, even in the presence of noise. In this work, we argue that, while benign overfitting has been instructive to study, real interpolating methods like deep networks do not fit benignly. That is, noise in the train set leads to suboptimal generalization, suggesting that these methods fall in an intermediate regime between benign and catastrophic overfitting, in which asymptotic risk is neither is neither Bayes-optimal nor unbounded, with the confounding effect of the noise being ``tempered but non-negligible. We call this behavior \textit{tempered overfitting}. We first provide broad empirical evidence for our three-part taxonomy, demonstrating that deep neural networks and kernel machines fit to noisy data can be reasonably well classified as benign, tempered, or catastrophic. We then specialize to kernel (ridge) regression (KR), obtaining conditions on the ridge parameter and kernel eigenspectrum under which KR exhibits each of the three behaviors, demonstrating the consequences for KR with common kernels and trained neural networks of infinite width using experiments on natural and synthetic datasets.

Over the last decade, a single algorithm has changed many facets of our lives - Stochastic Gradient Descent (SGD). In the era of ever decreasing loss functions, SGD and its various offspring have become the go-to optimization tool in machine learning and are a key component of the success of deep neural networks (DNNs). While SGD is guaranteed to converge to a local optimum (under loose assumptions), in some cases it may matter which local optimum is found, and this is often context-dependent. Examples frequently arise in machine learning, from shape-versus-texture-features to ensemble methods and zero-shot coordination. In these settings, there are desired solutions which SGD on easy' solutions. In this paper, we present a different approach. Rather than following the gradient, which corresponds to a locally greedy direction, we instead follow the eigenvectors of the Hessian. By iteratively following and branching amongst the ridges, we effectively span the loss surface to find qualitatively different solutions. We show both theoretically and experimentally that our method, called Ridge Rider (RR), offers a promising direction for a variety of challenging problems.

Physics-informed neural networks (PINNs) are neural networks trained by using physical laws in the form of partial differential equations (PDEs) as soft constraints. We present a new technique for the accelerated training of PINNs that combines modern scientific computing techniques with machine learning: discretely-trained PINNs (DT-PINNs). The repeated computation of the partial derivative terms in the PINN loss functions via automatic differentiation during training is known to be computationally expensive, especially for higher-order derivatives. DT-PINNs are trained by replacing these exact spatial derivatives with high-order accurate numerical discretizations computed using meshless radial basis function-finite differences (RBF-FD) and applied via sparse-matrix vector multiplication. While in principle any high-order discretization may be used, the use of RBF-FD allows for DT-PINNs to be trained even on point cloud samples placed on irregular domain geometries.

Estimating the per-state expected cumulative rewards is a critical aspect of reinforcement learning approaches, however the experience is obtained, but standard deep neural-network function-approximation methods are often inefficient in this setting. An alternative approach, exemplified by value iteration networks, is to learn transition and reward models of a latent Markov decision process whose value predictions fit the data. This approach has been shown empirically to converge faster to a more robust solution in many cases, but there has been little theoretical study of this phenomenon. In this paper, we explore such implicit representations of value functions via theory and focused experimentation. We prove that, for a linear parametrization, gradient descent converges to global optima despite non-linearity and non-convexity introduced by the implicit representation. Furthermore, we derive convergence rates for both cases which allow us to identify conditions under which stochastic gradient descent (SGD) with this implicit representation converges substantially faster than its explicit counterpart. Finally, we provide empirical results in some simple domains that illustrate the theoretical findings.

Graphs have been commonly used to represent complex data structures. In models dealing with graph-structured data, multivariate parameters may not only exhibit sparse patterns but have structured sparsity and smoothness in the sense that both zero and non-zero parameters tend to cluster together. We propose a new prior for high-dimensional parameters with graphical relations, referred to as the Tree-based Low-rank Horseshoe (T-LoHo) model, that generalizes the popular univariate Bayesian horseshoe shrinkage prior to the multivariate setting to detect structured sparsity and smoothness simultaneously. The T-LoHo prior can be embedded in many high-dimensional hierarchical models. To illustrate its utility, we apply it to regularize a Bayesian high-dimensional regression problem where the regression coefficients are linked by a graph, so that the resulting clusters have flexible shapes and satisfy the cluster contiguity constraint with respect to the graph. We design an efficient Markov chain Monte Carlo algorithm that delivers full Bayesian inference with uncertainty measures for model parameters such as the number of clusters. We offer theoretical investigations of the clustering effects and posterior concentration results. Finally, we illustrate the performance of the model with simulation studies and a real data application for anomaly detection on a road network. The results indicate substantial improvements over other competing methods such as the sparse fused lasso.

Existing deep hierarchical topic models are able to extract semantically meaningful topics from a text corpus in an unsupervised manner and automatically organize them into a topic hierarchy. However, it is unclear how to incorporate prior belief such as knowledge graph to guide the learning of the topic hierarchy. To address this issue, we introduce TopicNet as a deep hierarchical topic model that can inject prior structural knowledge as inductive bias to influence the learning. TopicNet represents each topic as a Gaussian-distributed embedding vector, projects the topics of all layers into a shared embedding space, and explores both the symmetric and asymmetric similarities between Gaussian embedding vectors to incorporate prior semantic hierarchies. With a variational auto-encoding inference network, the model parameters are optimized by minimizing the evidence lower bound and supervised loss via stochastic gradient descent. Experiments on widely used benchmark show that TopicNet outperforms related deep topic models on discovering deeper interpretable topics and mining better document representations.

Prior work on differential privacy analysis of randomized SGD algorithms relies on composition theorems, where the implicit (unrealistic) assumption is that the internal state of the iterative algorithm is revealed to the adversary. As a result, the R\'enyi DP bounds derived by such composition-based analyses linearly grow with the number of training epochs. When the internal state of the algorithm is hidden, we prove a converging privacy bound for noisy stochastic gradient descent (on strongly convex smooth loss functions). We show how to take advantage of privacy amplification by sub-sampling and randomized post-processing, and prove the dynamics of privacy bound for sample without replacement'' stochastic mini-batch gradient descent schemes. We prove that, in these settings, our privacy bound converges exponentially fast and is substantially smaller than the composition bounds, notably after a few number of training epochs. Thus, unless the DP algorithm converges fast, our privacy analysis shows that hidden state analysis can significantly amplify differential privacy.