The training process of ReLU neural networks often exhibits complicated nonlinear phenomena. The nonlinearity of models and non-convexity of loss pose significant challenges for theoretical analysis. Therefore, most previous theoretical works on the optimization dynamics of neural networks focus either on local analysis (like the end of training) or approximate linear models (like Neural Tangent Kernel). In this work, we conduct a complete theoretical characterization of the training process of a two-layer ReLU network trained by Gradient Flow on a linearly separable data. In this specific setting, our analysis captures the whole optimization process starting from random initialization to final convergence. Despite the relatively simple model and data that we studied, we reveal four different phases from the whole training process showing a general simplifying-to-complicating learning trend. Specific nonlinear behaviors can also be precisely identified and captured theoretically, such as initial condensation, saddle-to-plateau dynamics, plateau escape, changes of activation patterns, learning with increasing complexity, etc.
Implicit generative modeling (IGM) aims to produce samples of synthetic data matching the characteristics of a target data distribution. Recent work (e.g. score-matching networks, diffusion models) has approached the IGM problem from the perspective of pushing synthetic source data toward the target distribution via dynamical perturbations or flows in the ambient space. In this direction, we present the score difference (SD) between arbitrary target and source distributions as a flow that optimally reduces the Kullback-Leibler divergence between them while also solving the Schroedinger bridge problem. We apply the SD flow to convenient proxy distributions, which are aligned if and only if the original distributions are aligned. We demonstrate the formal equivalence of this formulation to denoising diffusion models under certain conditions. We also show that the training of generative adversarial networks includes a hidden data-optimization sub-problem, which induces the SD flow under certain choices of loss function when the discriminator is optimal. As a result, the SD flow provides a theoretical link between model classes that individually address the three challenges of the "generative modeling trilemma" -- high sample quality, mode coverage, and fast sampling -- thereby setting the stage for a unified approach.
User post-click conversion prediction is of high interest to researchers and developers. Recent studies employ multi-task learning to tackle the selection bias and data sparsity problem, two severe challenges in post-click behavior prediction, by incorporating click data. However, prior works mainly focused on pointwise learning and the orders of labels (i.e., click and post-click) are not well explored, which naturally poses a listwise learning problem. Inspired by recent advances on differentiable sorting, in this paper, we propose a novel multi-task framework that leverages orders of user behaviors to predict user post-click conversion in an end-to-end approach. Specifically, we define an aggregation operator to combine predicted outputs of different tasks to a unified score, then we use the computed scores to model the label relations via differentiable sorting. Extensive experiments on public and industrial datasets show the superiority of our proposed model against competitive baselines.
This paper introduces a new method based on Deep Galerkin Methods (DGMs) for solving high-dimensional stochastic Mean Field Games (MFGs). We achieve this by using two neural networks to approximate the unknown solutions of the MFG system and forward-backward conditions. Our method is efficient, even with a small number of iterations, and is capable of handling up to 300 dimensions with a single layer, which makes it faster than other approaches. In contrast, methods based on Generative Adversarial Networks (GANs) cannot solve MFGs with non-separable Hamiltonians. We demonstrate the effectiveness of our approach by applying it to a traffic flow problem, which was previously solved using the Newton iteration method only in the deterministic case. We compare the results of our method to analytical solutions and previous approaches, showing its efficiency. We also prove the convergence of our neural network approximation with a single hidden layer using the universal approximation theorem.
This paper studies distributed online learning under Byzantine attacks. The performance of an online learning algorithm is often characterized by (adversarial) regret, which evaluates the quality of one-step-ahead decision-making when an environment provides adversarial losses, and a sublinear bound is preferred. But we prove that, even with a class of state-of-the-art robust aggregation rules, in an adversarial environment and in the presence of Byzantine participants, distributed online gradient descent can only achieve a linear adversarial regret bound, which is tight. This is the inevitable consequence of Byzantine attacks, even though we can control the constant of the linear adversarial regret to a reasonable level. Interestingly, when the environment is not fully adversarial so that the losses of the honest participants are i.i.d. (independent and identically distributed), we show that sublinear stochastic regret, in contrast to the aforementioned adversarial regret, is possible. We develop a Byzantine-robust distributed online momentum algorithm to attain such a sublinear stochastic regret bound. Extensive numerical experiments corroborate our theoretical analysis.
In this article, we propose two kinds of neural networks inspired by power method and inverse power method to solve linear eigenvalue problems. These neural networks share similar ideas with traditional methods, in which the differential operator is realized by automatic differentiation. The eigenfunction of the eigenvalue problem is learned by the neural network and the iterative algorithms are implemented by optimizing the specially defined loss function. The largest positive eigenvalue, smallest eigenvalue and interior eigenvalues with the given prior knowledge can be solved efficiently. We examine the applicability and accuracy of our methods in the numerical experiments in one dimension, two dimensions and higher dimensions. Numerical results show that accurate eigenvalue and eigenfunction approximations can be obtained by our methods.
In recent years, the integration of Machine Learning (ML) models with Operation Research (OR) tools has gained popularity across diverse applications, including cancer treatment, algorithmic configuration, and chemical process optimization. In this domain, the combination of ML and OR often relies on representing the ML model output using Mixed Integer Programming (MIP) formulations. Numerous studies in the literature have developed such formulations for many ML predictors, with a particular emphasis on Artificial Neural Networks (ANNs) due to their significant interest in many applications. However, ANNs frequently contain a large number of parameters, resulting in MIP formulations that are impractical to solve, thereby impeding scalability. In fact, the ML community has already introduced several techniques to reduce the parameter count of ANNs without compromising their performance, since the substantial size of modern ANNs presents challenges for ML applications as it significantly impacts computational efforts during training and necessitates significant memory resources for storage. In this paper, we showcase the effectiveness of pruning, one of these techniques, when applied to ANNs prior to their integration into MIPs. By pruning the ANN, we achieve significant improvements in the speed of the solution process. We discuss why pruning is more suitable in this context compared to other ML compression techniques, and we identify the most appropriate pruning strategies. To highlight the potential of this approach, we conduct experiments using feed-forward neural networks with multiple layers to construct adversarial examples. Our results demonstrate that pruning offers remarkable reductions in solution times without hindering the quality of the final decision, enabling the resolution of previously unsolvable instances.
Topological data analysis (TDA) has emerged as a powerful tool for extracting meaningful insights from complex data. TDA enhances the analysis of objects by embedding them into a simplicial complex and extracting useful global properties such as the Betti numbers, i.e. the number of multidimensional holes, which can be used to define kernel methods that are easily integrated with existing machine-learning algorithms. These kernel methods have found broad applications, as they rely on powerful mathematical frameworks which provide theoretical guarantees on their performance. However, the computation of higher-dimensional Betti numbers can be prohibitively expensive on classical hardware, while quantum algorithms can approximate them in polynomial time in the instance size. In this work, we propose a quantum approach to defining topological kernels, which is based on constructing Betti curves, i.e. topological fingerprint of filtrations with increasing order. We exhibit a working prototype of our approach implemented on a noiseless simulator and show its robustness by means of some empirical results suggesting that topological approaches may offer an advantage in quantum machine learning.
We present APAC-Net, an alternating population and agent control neural network for solving stochastic mean field games (MFGs). Our algorithm is geared toward high-dimensional instances of MFGs that are beyond reach with existing solution methods. We achieve this in two steps. First, we take advantage of the underlying variational primal-dual structure that MFGs exhibit and phrase it as a convex-concave saddle point problem. Second, we parameterize the value and density functions by two neural networks, respectively. By phrasing the problem in this manner, solving the MFG can be interpreted as a special case of training a generative adversarial network (GAN). We show the potential of our method on up to 100-dimensional MFG problems.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.