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Stochastic gradient descent (SGD) is the simplest deep learning optimizer with which to train deep neural networks. While SGD can use various learning rates, such as constant or diminishing rates, the previous numerical results showed that SGD performs better than other deep learning optimizers using when it uses learning rates given by line search methods. In this paper, we perform a convergence analysis on SGD with a learning rate given by an Armijo line search for nonconvex optimization. The analysis indicates that the upper bound of the expectation of the squared norm of the full gradient becomes small when the number of steps and the batch size are large. Next, we show that, for SGD with the Armijo-line-search learning rate, the number of steps needed for nonconvex optimization is a monotone decreasing convex function of the batch size; that is, the number of steps needed for nonconvex optimization decreases as the batch size increases. Furthermore, we show that the stochastic first-order oracle (SFO) complexity, which is the stochastic gradient computation cost, is a convex function of the batch size; that is, there exists a critical batch size that minimizes the SFO complexity. Finally, we provide numerical results that support our theoretical results. The numerical results indicate that the number of steps needed for training deep neural networks decreases as the batch size increases and that there exist the critical batch sizes that can be estimated from the theoretical results.

Next-generation wireless communication systems impose much stricter requirements for transmission rate, latency, and reliability. The peak data rate of 6G networks should be no less than 1 Tb/s, which is comparable to existing long-haul optical transport networks. It is believed that using long error-correcting codes (ECC) with soft-decision decoding (SDD) is not feasible in this case due to the resulting high power consumption. On the other hand, ECC with hard-decision decoding (HDD) suffers from significant performance degradation. In this paper, we consider a concatenated solution consisting of an outer long HDD code and an inner short SDD code. The latter code is a crucial component of the system and the focus of our research. Due to its short length, the code cannot correct all errors, but it is designed to minimize the number of errors. Such codes are known as error-reducing codes. We investigate the error-reducing properties of superposition codes. Initially, we explore sparse regression codes (SPARCs) with Gaussian signals. This approach outperforms error-reducing binary LDPC codes optimized by Barakatain, et al. (2018) in terms of performance but faces limitations in practical applicability due to high implementation complexity. Subsequently, we propose an LDPC-based superposition code scheme with low-complexity soft successive interference cancellation (SIC) decoding. This scheme demonstrates comparable performance to SPARCs while maintaining manageable complexity. Numerical results were obtained for inner codes with an overhead (OH) of 8.24% within a concatenated scheme (15% OH) with an outer hard-decision decoded staircase code (6.25% OH).

We introduce a new class of numerical schemes which allow for low regularity approximations to the expectation $ \mathbb{E}(|u_{k}(\tau, v^{\eta})|^2)$, where $u_k$ denotes the $k$-th Fourier coefficient of the solution $u$ of the dispersive equation and $ v^{\eta}(x) $ the associated random initial data. This quantity plays an important role in physics, in particular in the study of wave turbulence where one needs to adopt a statistical approach in order to obtain deep insight into the generic long-time behaviour of solutions to dispersive equations. Our new class of schemes is based on Wick's theorem and Feynman diagrams together with a resonance based discretisation (see arXiv:2005.01649) set in a more general context: we introduce a novel combinatorial structure called paired decorated forests which are two decorated trees whose decorations on the leaves come in pair. The character of the scheme draws its inspiration from the treatment of singular stochastic partial differential equations via Regularity Structures. In contrast to classical approaches, we do not discretize the PDE itself, but rather its expectation. This allows us to heavily exploit the optimal resonance structure and underlying gain in regularity on the finite dimensional (discrete) level.

Summation-by-parts (SBP) operators allow us to systematically develop energy-stable and high-order accurate numerical methods for time-dependent differential equations. Until recently, the main idea behind existing SBP operators was that polynomials can accurately approximate the solution, and SBP operators should thus be exact for them. However, polynomials do not provide the best approximation for some problems, with other approximation spaces being more appropriate. We recently addressed this issue and developed a theory for one-dimensional SBP operators based on general function spaces, coined function-space SBP (FSBP) operators. In this paper, we extend the theory of FSBP operators to multiple dimensions. We focus on their existence, connection to quadratures, construction, and mimetic properties. A more exhaustive numerical demonstration of multi-dimensional FSBP (MFSBP) operators and their application will be provided in future works. Similar to the one-dimensional case, we demonstrate that most of the established results for polynomial-based multi-dimensional SBP (MSBP) operators carry over to the more general class of MFSBP operators. Our findings imply that the concept of SBP operators can be applied to a significantly larger class of methods than is currently done. This can increase the accuracy of the numerical solutions and/or provide stability to the methods.

Optimal Transport has sparked vivid interest in recent years, in particular thanks to the Wasserstein distance, which provides a geometrically sensible and intuitive way of comparing probability measures. For computational reasons, the Sliced Wasserstein (SW) distance was introduced as an alternative to the Wasserstein distance, and has seen uses for training generative Neural Networks (NNs). While convergence of Stochastic Gradient Descent (SGD) has been observed practically in such a setting, there is to our knowledge no theoretical guarantee for this observation. Leveraging recent works on convergence of SGD on non-smooth and non-convex functions by Bianchi et al. (2022), we aim to bridge that knowledge gap, and provide a realistic context under which fixed-step SGD trajectories for the SW loss on NN parameters converge. More precisely, we show that the trajectories approach the set of (sub)-gradient flow equations as the step decreases. Under stricter assumptions, we show a much stronger convergence result for noised and projected SGD schemes, namely that the long-run limits of the trajectories approach a set of generalised critical points of the loss function.

The number of modes in a probability density function is representative of the model's complexity and can also be viewed as the number of existing subpopulations. Despite its relevance, little research has been devoted to its estimation. Focusing on the univariate setting, we propose a novel approach targeting prediction accuracy inspired by some overlooked aspects of the problem. We argue for the need for structure in the solutions, the subjective and uncertain nature of modes, and the convenience of a holistic view blending global and local density properties. Our method builds upon a combination of flexible kernel estimators and parsimonious compositional splines. Feature exploration, model selection and mode testing are implemented in the Bayesian inference paradigm, providing soft solutions and allowing to incorporate expert judgement in the process. The usefulness of our proposal is illustrated through a case study in sports analytics, showcasing multiple companion visualisation tools. A thorough simulation study demonstrates that traditional modality-driven approaches paradoxically struggle to provide accurate results. In this context, our method emerges as a top-tier alternative offering innovative solutions for analysts.

Machine learning (ML) and deep learning models are extensively used for parameter optimization and regression problems. However, not all inverse problems in ML are ``identifiable,'' indicating that model parameters may not be uniquely determined from the available data and the data model's input-output relationship. In this study, we investigate the notion of model parameter identifiability through a case study focused on parameter estimation from motion sensor data. Utilizing a bipedal-spring mass human walk dynamics model, we generate synthetic data representing diverse gait patterns and conditions. Employing a deep neural network, we attempt to estimate subject-wise parameters, including mass, stiffness, and equilibrium leg length. The results show that while certain parameters can be identified from the observation data, others remain unidentifiable, highlighting that unidentifiability is an intrinsic limitation of the experimental setup, necessitating a change in data collection and experimental scenarios. Beyond this specific case study, the concept of identifiability has broader implications in ML and deep learning. Addressing unidentifiability requires proven identifiable models (with theoretical support), multimodal data fusion techniques, and advancements in model-based machine learning. Understanding and resolving unidentifiability challenges will lead to more reliable and accurate applications across diverse domains, transcending mere model convergence and enhancing the reliability of machine learning models.

One of the fundamental problems in machine learning is generalization. In neural network models with a large number of weights (parameters), many solutions can be found to fit the training data equally well. The key question is which solution can describe testing data not in the training set. Here, we report the discovery of an exact duality (equivalence) between changes in activities in a given layer of neurons and changes in weights that connect to the next layer of neurons in a densely connected layer in any feed forward neural network. The activity-weight (A-W) duality allows us to map variations in inputs (data) to variations of the corresponding dual weights. By using this mapping, we show that the generalization loss can be decomposed into a sum of contributions from different eigen-directions of the Hessian matrix of the loss function at the solution in weight space. The contribution from a given eigen-direction is the product of two geometric factors (determinants): the sharpness of the loss landscape and the standard deviation of the dual weights, which is found to scale with the weight norm of the solution. Our results provide an unified framework, which we used to reveal how different regularization schemes (weight decay, stochastic gradient descent with different batch sizes and learning rates, dropout), training data size, and labeling noise affect generalization performance by controlling either one or both of these two geometric determinants for generalization. These insights can be used to guide development of algorithms for finding more generalizable solutions in overparametrized neural networks.

High-dimensional data arises in numerous applications, and the rapidly developing field of geometric deep learning seeks to develop neural network architectures to analyze such data in non-Euclidean domains, such as graphs and manifolds. Recent work by Z. Wang, L. Ruiz, and A. Ribeiro has introduced a method for constructing manifold neural networks using the spectral decomposition of the Laplace Beltrami operator. Moreover, in this work, the authors provide a numerical scheme for implementing such neural networks when the manifold is unknown and one only has access to finitely many sample points. The authors show that this scheme, which relies upon building a data-driven graph, converges to the continuum limit as the number of sample points tends to infinity. Here, we build upon this result by establishing a rate of convergence that depends on the intrinsic dimension of the manifold but is independent of the ambient dimension. We also discuss how the rate of convergence depends on the depth of the network and the number of filters used in each layer.

Adam is a commonly used stochastic optimization algorithm in machine learning. However, its convergence is still not fully understood, especially in the non-convex setting. This paper focuses on exploring hyperparameter settings for the convergence of vanilla Adam and tackling the challenges of non-ergodic convergence related to practical application. The primary contributions are summarized as follows: firstly, we introduce precise definitions of ergodic and non-ergodic convergence, which cover nearly all forms of convergence for stochastic optimization algorithms. Meanwhile, we emphasize the superiority of non-ergodic convergence over ergodic convergence. Secondly, we establish a weaker sufficient condition for the ergodic convergence guarantee of Adam, allowing a more relaxed choice of hyperparameters. On this basis, we achieve the almost sure ergodic convergence rate of Adam, which is arbitrarily close to $o(1/\sqrt{K})$. More importantly, we prove, for the first time, that the last iterate of Adam converges to a stationary point for non-convex objectives. Finally, we obtain the non-ergodic convergence rate of $O(1/K)$ for function values under the Polyak-Lojasiewicz (PL) condition. These findings build a solid theoretical foundation for Adam to solve non-convex stochastic optimization problems.