We provide novel information-theoretic generalization bounds for stochastic gradient Langevin dynamics (SGLD) under the assumptions of smoothness and dissipativity, which are widely used in sampling and non-convex optimization studies. Our bounds are time-independent and decay to zero as the sample size increases, regardless of the number of iterations and whether the step size is fixed. Unlike previous studies, we derive the generalization error bounds by focusing on the time evolution of the Kullback-Leibler divergence, which is related to the stability of datasets and is the upper bound of the mutual information between output parameters and an input dataset. Additionally, we establish the first information-theoretic generalization bound when the training and test loss are the same by showing that a loss function of SGLD is sub-exponential. This bound is also time-independent and removes the problematic step size dependence in existing work, leading to an improved excess risk bound by combining our analysis with the existing non-convex optimization error bounds.

We also show that the network width alleviates these issues.

We provide novel information-theoretic generalization bounds for stochastic gradient Langevin dynamics (SGLD) under the assumptions of smoothness and dissi-pativity, which are widely used in sampling and non-convex optimization studies.

We provide novel information-theoretic generalization bounds for stochastic gradient Langevin dynamics (SGLD) under the assumptions of smoothness and dissi-pativity, which are widely used in sampling and non-convex optimization studies.

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the future state distant in time with high accuracy. Although these methods have diverse designs in modeling the coordinates and interacting forces of the system, we show that they actually share a common paradigm that learns the integration of the velocity over the interval between the initial and terminal coordinates. However, their integrand is constant w.r.t.

In suitably initialized wide networks, small learning rates transform deep neural networks (DNNs) into neural tangent kernel (NTK) machines, whose training dynamics is well-approximated by a linear weight expansion of the network at initialization. Standard training, however, diverges from its linearization in ways that are poorly understood. We study the relationship between the training dynamics of nonlinear deep networks, the geometry of the loss landscape, and the time evolution of a data-dependent NTK. We do so through a large-scale phenomenological analysis of training, synthesizing diverse measures characterizing loss landscape geometry and NTK dynamics. In multiple neural architectures and datasets, we find these diverse measures evolve in a highly correlated manner, revealing a universal picture of the deep learning process. In this picture, deep network training exhibits a highly chaotic rapid initial transient that within 2 to 3 epochs determines the final linearly connected basin of low loss containing the end point of training. During this chaotic transient, the NTK changes rapidly, learning useful features from the training data that enables it to outperform the standard initial NTK by a factor of 3 in less than 3 to 4 epochs. After this rapid chaotic transient, the NTK changes at constant velocity, and its performance matches that of full network training in 15\% to 45\% of training time. Overall, our analysis reveals a striking correlation between a diverse set of metrics over training time, governed by a rapid chaotic to stable transition in the first few epochs, that together poses challenges and opportunities for the development of more accurate theories of deep learning.

Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA), which can be understood as a slightly generalized version of Quantum Annealing for gate-based quantum computers. We delve into the quantum circuit implementation of the QAOA, including Hamiltonian simulation techniques for higher-order Ising models, and discuss parameter training using the parameter shift rule. An example implementation with Pennylane source code demonstrates practical application for the Maximum Cut problem. Further, we show how constraints can be incorporated into the QAOA using Grover mixers, allowing to restrict the search space to strictly valid solutions for specific problems. Finally, we outline the Variational Quantum Eigensolver (VQE) as a generalization of the QAOA, highlighting its potential in the NISQ era and addressing challenges such as barren plateaus and ansatz design. Combinatorial optimization problems, such as determining the most efficient routing of delivery trucks or finding the optimal schedule for a set of tasks, involve searching through a vast number of possible solutions to find the best one. For a small subset of potentially practically relevant problems ranging from the most basic maximum cut problem [1] to the optimization of higher order objective functions [2, 3]), there already exists promising evidence that the standard quantum optimization algorithm for gate model quantum computer, called Quantum Approximate Optimization Algorithm (QAOA), can outperform classical state-of-the-art solvers. Quantum computing hence offers promising approaches to tackle these complex problems by exploiting quantum mechanical principles.