Classical mathematical techniques such as discrete integration, gradient descent optimization, and state estimation (exemplified by the Runge-Kutta method, Gauss-Newton minimization, and extended Kalman filter or EKF, respectively), rely on linear algebra and hence are only applicable to state vectors belonging to Euclidean spaces when implemented as described in the literature. This document discusses how to modify these methods so they can be applied to non-Euclidean state vectors, such as those containing rotations and full motions of rigid bodies. To do so, this document provides an in-depth review of the concept of manifolds or Lie groups, together with their tangent spaces or Lie algebras, their exponential and logarithmic maps, the analysis of perturbations, the treatment of uncertainty and covariance, and in particular the definitions of the Jacobians required to employ the previously mentioned calculus methods. These concepts are particularized to the specific cases of the SO(3) and SE(3) Lie groups, known as the special orthogonal and special Euclidean groups of R3, which represent the rigid body rotations and motions, describing their various possible parameterizations as well as their advantages and disadvantages.

This paper considers an online control problem over a linear time-invariant system with unknown dynamics, bounded disturbance, and adversarial cost. We propose a data-driven strategy to reduce the regret of the controller. Unlike model-based methods, our algorithm does not identify the system model, instead, it leverages a single noise-free trajectory to calculate the accumulation of disturbance and makes decisions using the accumulated disturbance action controller we design, whose parameters are updated by online gradient descent. We prove that the regret of our algorithm is $\mathcal{O}(\sqrt{T})$ under mild assumptions, suggesting that its performance is on par with model-based methods.

We propose energy natural gradient descent, a natural gradient method with respect to a Hessian-induced Riemannian metric as an optimization algorithm for physics-informed neural networks (PINNs) and the deep Ritz method. As a main motivation we show that the update direction in function space resulting from the energy natural gradient corresponds to the Newton direction modulo an orthogonal projection onto the model's tangent space. We demonstrate experimentally that energy natural gradient descent yields highly accurate solutions with errors several orders of magnitude smaller than what is obtained when training PINNs with standard optimizers like gradient descent or Adam, even when those are allowed significantly more computation time.

We consider regression of a max-affine model that produces a piecewise linear model by combining affine models via the max function. The max-affine model ubiquitously arises in applications in signal processing and statistics including multiclass classification, auction problems, and convex regression. It also generalizes phase retrieval and learning rectifier linear unit activation functions. We present a non-asymptotic convergence analysis of gradient descent (GD) and mini-batch stochastic gradient descent (SGD) for max-affine regression when the model is observed at random locations following the sub-Gaussianity and an anti-concentration with additive sub-Gaussian noise. Under these assumptions, a suitably initialized GD and SGD converge linearly to a neighborhood of the ground truth specified by the corresponding error bound. We provide numerical results that corroborate the theoretical finding. Importantly, SGD not only converges faster in run time with fewer observations than alternating minimization and GD in the noiseless scenario but also outperforms them in low-sample scenarios with noise.

In this paper, we study a class of stochastic bilevel optimization problems, also known as stochastic simple bilevel optimization, where we minimize a smooth stochastic objective function over the optimal solution set of another stochastic convex optimization problem. We introduce novel stochastic bilevel optimization methods that locally approximate the solution set of the lower-level problem via a stochastic cutting plane, and then run a conditional gradient update with variance reduction techniques to control the error induced by using stochastic gradients. For the case that the upper-level function is convex, our method requires $\tilde{\mathcal{O}}(\max\{1/\epsilon_f^{2},1/\epsilon_g^{2}\}) $ stochastic oracle queries to obtain a solution that is $\epsilon_f$-optimal for the upper-level and $\epsilon_g$-optimal for the lower-level. This guarantee improves the previous best-known complexity of $\mathcal{O}(\max\{1/\epsilon_f^{4},1/\epsilon_g^{4}\})$. Moreover, for the case that the upper-level function is non-convex, our method requires at most $\tilde{\mathcal{O}}(\max\{1/\epsilon_f^{3},1/\epsilon_g^{3}\}) $ stochastic oracle queries to find an $(\epsilon_f, \epsilon_g)$-stationary point. In the finite-sum setting, we show that the number of stochastic oracle calls required by our method are $\tilde{\mathcal{O}}(\sqrt{n}/\epsilon)$ and $\tilde{\mathcal{O}}(\sqrt{n}/\epsilon^{2})$ for the convex and non-convex settings, respectively, where $\epsilon=\min \{\epsilon_f,\epsilon_g\}$.

Graph neural networks (GNNs) have pioneered advancements in graph representation learning, exhibiting superior feature learning and performance over multilayer perceptrons (MLPs) when handling graph inputs. However, understanding the feature learning aspect of GNNs is still in its initial stage. This study aims to bridge this gap by investigating the role of graph convolution within the context of feature learning theory in neural networks using gradient descent training. We provide a distinct characterization of signal learning and noise memorization in two-layer graph convolutional networks (GCNs), contrasting them with two-layer convolutional neural networks (CNNs). Our findings reveal that graph convolution significantly augments the benign overfitting regime over the counterpart CNNs, where signal learning surpasses noise memorization, by approximately factor $\sqrt{D}^{q-2}$, with $D$ denoting a node's expected degree and $q$ being the power of the ReLU activation function where $q > 2$. These findings highlight a substantial discrepancy between GNNs and MLPs in terms of feature learning and generalization capacity after gradient descent training, a conclusion further substantiated by our empirical simulations.

Standard bandit algorithms that assume continual reallocation of measurement effort are challenging to implement due to delayed feedback and infrastructural/organizational difficulties. Motivated by practical instances involving a handful of reallocation epochs in which outcomes are measured in batches, we develop a computation-driven adaptive experimentation framework that can flexibly handle batching. Our main observation is that normal approximations, which are universal in statistical inference, can also guide the design of adaptive algorithms. By deriving a Gaussian sequential experiment, we formulate a dynamic program that can leverage prior information on average rewards. Instead of the typical theory-driven paradigm, we leverage computational tools and empirical benchmarking for algorithm development. In particular, our empirical analysis highlights a simple yet effective algorithm, Residual Horizon Optimization, which iteratively solves a planning problem using stochastic gradient descent. Our approach significantly improves statistical power over standard methods, even when compared to Bayesian bandit algorithms (e.g., Thompson sampling) that require full distributional knowledge of individual rewards. Overall, we expand the scope of adaptive experimentation to settings that are difficult for standard methods, involving limited adaptivity, low signal-to-noise ratio, and unknown reward distributions.

We uncover how SGD interacts with batch normalization and can exhibit undesirable training dynamics such as divergence. More precisely, we study how Single Shuffle (SS) and Random Reshuffle (RR) -- two widely used variants of SGD -- interact surprisingly differently in the presence of batch normalization: RR leads to much more stable evolution of training loss than SS. As a concrete example, for regression using a linear network with batch normalization, we prove that SS and RR converge to distinct global optima that are "distorted" away from gradient descent. Thereafter, for classification we characterize conditions under which training divergence for SS and RR can, and cannot occur. We present explicit constructions to show how SS leads to distorted optima in regression and divergence for classification, whereas RR avoids both distortion and divergence. We validate our results by confirming them empirically in realistic settings, and conclude that the separation between SS and RR used with batch normalization is relevant in practice.

We present a new optimization method for small-to-intermediate scale variational algorithms on noisy near-term quantum processors which uses a Gaussian process surrogate model equipped with a classically-evaluated quantum kernel. Variational algorithms are typically optimized using gradient-based approaches however these are difficult to implement on current noisy devices, requiring large numbers of objective function evaluations. Our scheme shifts this computational burden onto the classical optimizer component of these hybrid algorithms, greatly reducing the number of queries to the quantum processor. We focus on the variational quantum eigensolver (VQE) algorithm and demonstrate numerically that such surrogate models are particularly well suited to the algorithm's objective function. Next, we apply these models to both noiseless and noisy VQE simulations and show that they exhibit better performance than widely-used classical kernels in terms of final accuracy and convergence speed. Compared to the typically-used stochastic gradient-descent approach for VQAs, our quantum kernel-based approach is found to consistently achieve significantly higher accuracy while requiring less than an order of magnitude fewer quantum circuit evaluations. We analyse the performance of the quantum kernel-based models in terms of the kernels' induced feature spaces and explicitly construct their feature maps. Finally, we describe a scheme for approximating the best-performing quantum kernel using a classically-efficient tensor network representation of its input state and so provide a pathway for scaling these methods to larger systems.

The main idea of our algorithm is to carefully leverage the structure of the minimax problem, performing Nesterov acceleration on the individual component and optimistic gradient on the coupling component. Equipped with proper restarting, we show that AG-OG achieves the optimal convergence rate (up to a constant) for a variety of settings, including bilinearly coupled strongly convex-strongly concave minimax optimization (bi-SC-SC), bilinearly coupled convex-strongly concave minimax optimization (bi-C-SC), and bilinear games. We also extend our algorithm to the stochastic setting and achieve the optimal convergence rate in both bi-SC-SC and bi-C-SC settings. AG-OG is the first single-call algorithm with optimal convergence rates in both deterministic and stochastic settings for bilinearly coupled minimax optimization problems.