Michael Hintermüller

We present a novel model of a coupled hydrogen and electricity market on the intraday time scale, where hydrogen gas is used as a storage device for the electric grid. Electricity is produced by renewable energy sources or by extracting hydrogen from a pipeline that is shared by non-cooperative agents. The resulting model is a generalized Nash equilibrium problem. Under certain mild assumptions, we prove that an equilibrium exists. Perspectives for future work are presented.

In this work, we study physics-informed neural networks (PINNs) constrained by partial differential equations (PDEs) and their application in approximating PDEs with two characteristic scales. From a continuous perspective, our formulation corresponds to a non-standard PDE-constrained optimization problem with a PINN-type objective. From a discrete standpoint, the formulation represents a hybrid numerical solver that utilizes both neural networks and finite elements. For the problem analysis, we introduce a proper function space, and we develop a numerical solution algorithm. The latter combines an adjoint-based technique for the efficient gradient computation with automatic differentiation. This new multiscale method is then applied exemplarily to a heat transfer problem with oscillating coefficients. In this context, the neural network approximates a fine-scale problem, and a coarse-scale problem constrains the associated learning process. We demonstrate that incorporating coarse-scale information into the neural network training process via a weak convergence-based reg-ularization term is beneficial. Indeed, while preserving upscaling consistency, this term encourages non-trivial PINN solutions and also acts as a preconditioner for the low-frequency component of the fine-scale PDE, resulting in improved convergence properties of the PINN method. The relevance of our approach to material science is discussed.

In this work, we propose a novel layerwise adaptive construction method for neural network architectures. Our approach is based on a goal--oriented dual-weighted residual technique for the optimal control of neural differential equations. This leads to an ordinary differential equation constrained optimization problem with controls acting as coefficients and a specific loss function. We implement our approach on the basis of a DG(0) Galerkin discretization of the neural ODE, leading to an explicit Euler time marching scheme. For the optimization we use steepest descent. Finally, we apply our method to the construction of neural networks for the classification of data sets, where we present results for a selection of well known examples from the literature.

Understanding interactions between quantum systems and their environments is crucial for developing stable quantum technologies and accurate physical models. Yet, simulating open quantum systems with non-unitary dynamics remains computationally demanding. We introduce the tensor jump method (TJM), a scalable and embarrassingly parallel algorithm for stochastically simulating large-scale open quantum systems governed by Lindbladians. The TJM extends the Monte Carlo wave function (MCWF) approach to matrix product states, employs a dynamic time-dependent variational principle (TDVP) to minimize evolution errors, and introduces a sampling MPS to reduce timestep dependence. This method scales efficiently, ensuring convergence to Lindbladian dynamics independent of system size, as demonstrated both rigorously and numerically. We showcase its utility by simulating XXX Heisenberg models with up to a thousand spins on a consumer-grade CPU. The TJM represents a significant advance in open quantum system simulation, enabling exploration of dissipative many-body dynamics and the design of more stable quantum hardware.

We develop a semismooth Newton framework for the numerical solution of fixed-point equations that are posed in Banach spaces. The framework is motivated by applications in the field of obstacle-type quasi-variational inequalities and implicit obstacle problems. It is discussed in a general functional analytic setting and allows for inexact function evaluations and Newton steps. Moreover, if a certain contraction assumption holds, we show that it is possible to globalize the algorithm by means of the Banach fixed-point theorem and to ensure q -superlinear convergence to the problem solution for arbitrary starting values. By means of a localization technique, our Newton method can also be used to determine solutions of fixed-point equations that are only locally contractive and not uniquely solvable. We apply our algorithm to a quasi-variational inequality which arises in thermoforming and which not only involves the obstacle problem as a source of nonsmoothness but also a semilinear PDE containing a nondifferentiable Nemytskii operator. Our analysis is accompanied by numerical experiments that illustrate the mesh-independence and q -superlinear convergence of the developed solution algorithm.

We consider a risk-averse optimal control problem governed by an elliptic variational inequality (VI) subject to random inputs. By deriving KKT-type optimality conditions for a penalised and smoothed problem and studying convergence of the stationary points with respect to the penalisation parameter, we obtain two forms of stationarity conditions. The lack of regularity with respect to the uncertain parameters and complexities induced by the presence of the risk measure give rise to new challenges unique to the stochastic setting. We also propose a path-following stochastic approximation algorithm using variance reduction techniques and demonstrate the algorithm on a modified benchmark problem.