We formalise some aspects of the neural-symbol design patterns of van Bekkum et al., such that we can formally define notions of refinement of patterns, as well as modular combination of larger patterns from smaller building blocks. These formal notions are being implemented in the heterogeneous tool set (Hets), such that patterns and refinements can be checked for well-formedness, and combinations can be computed.

We study the ground state and low-lying excitations of the S=1/2 XXZ antiferromagnet on the kagome lattice at magnetization one third of the saturation. An exponential number of non-magnetic states is found below a magnetic gap. The non-magnetic excitations also have a gap above the ground state, but it is much smaller than the magnetic gap. This ground state corresponds to an ordered pattern with resonances in one third of the hexagons. The spin-spin correlation function is short ranged, but there is long-range order of valence-bond crystal type.

We consider a multi-armed bandit problem specified by a set of one-dimensional family exponential distributions endowed with a unimodal structure. We introduce IMED-UB, a algorithm that optimally exploits the unimodal-structure, by adapting to this setting the Indexed Minimum Empirical Divergence (IMED) algorithm introduced by Honda and Takemura [2015]. Owing to our proof technique, we are able to provide a concise finite-time analysis of IMED-UB algorithm. Numerical experiments show that IMED-UB competes with the state-of-the-art algorithms.

Today, intelligent systems that offer artificial intelligence capabilities often rely on machine learning. Machine learning describes the capacity of systems to learn from problem-specific training data to automate the process of analytical model building and solve associated tasks. Deep learning is a machine learning concept based on artificial neural networks. For many applications, deep learning models outperform shallow machine learning models and traditional data analysis approaches. In this article, we summarize the fundamentals of machine learning and deep learning to generate a broader understanding of the methodical underpinning of current intelligent systems. In particular, we provide a conceptual distinction between relevant terms and concepts, explain the process of automated analytical model building through machine learning and deep learning, and discuss the challenges that arise when implementing such intelligent systems in the field of electronic markets and networked business. These naturally go beyond technological aspects and highlight issues in human-machine interaction and artificial intelligence servitization.

The atmosphere affects humans in a multitude of ways, from loss of life due to adverse weather effects to long-term social and economic impacts on societies. Computer simulations of atmospheric dynamics are, therefore, of great importance for the well-being of our and future generations. Here, we propose AtmoRep, a novel, task-independent stochastic computer model of atmospheric dynamics that can provide skillful results for a wide range of applications. AtmoRep uses large-scale representation learning from artificial intelligence to determine a general description of the highly complex, stochastic dynamics of the atmosphere from the best available estimate of the system's historical trajectory as constrained by observations. This is enabled by a novel self-supervised learning objective and a unique ensemble that samples from the stochastic model with a variability informed by the one in the historical record. The task-independent nature of AtmoRep enables skillful results for a diverse set of applications without specifically training for them and we demonstrate this for nowcasting, temporal interpolation, model correction, and counterfactuals. We also show that AtmoRep can be improved with additional data, for example radar observations, and that it can be extended to tasks such as downscaling. Our work establishes that large-scale neural networks can provide skillful, task-independent models of atmospheric dynamics. With this, they provide a novel means to make the large record of atmospheric observations accessible for applications and for scientific inquiry, complementing existing simulations based on first principles.

We present a local Fourier slice equation that enables local and sparse projection of a signal. Our result exploits that a slice in frequency space is an iso-parameter set in spherical coordinates. Therefore, the projection of suitable wavelets defined separably in these coordinates can be computed analytically, yielding a sequence of wavelets closed under projection. Our local Fourier slice equation then realizes projection as reconstruction with "sliced" wavelets with computational costs that scale linearly in the complexity of the projected signal. We numerically evaluate the performance of our local Fourier slice equation for synthetic test data and tomographic reconstruction, demonstrating that locality and sparsity can significantly reduce computation times and memory requirements.

Accurate prediction of the hydrodynamic forces on particles is central to the fidelity of Euler-Lagrange (EL) simulations of particle-laden flows. Traditional EL methods typically rely on determining the hydrodynamic forces at the positions of the individual particles from the interpolated fluid velocity field, and feed these hydrodynamic forces back to the location of the particles. This approach can introduce significant errors in two-way coupled simulations, especially when the particle diameter is not much smaller than the computational grid spacing. In this study, we propose a novel force correlation framework that circumvents the need for undisturbed velocity estimation by leveraging volume-filtered quantities available directly from EL simulations. Through a rigorous analytical derivation in the Stokes regime and extensive particle-resolved direct numerical simulations (PR-DNS) at finite Reynolds numbers, we formulate force correlations that depend solely on the volume-filtered fluid velocity and local volume fraction, parametrized by the filter width. These correlations are shown to recover known drag laws in the appropriate asymptotic limits and exhibit a good agreement with analytical and high-fidelity numerical benchmarks for single particle cases, and, compared to existing correlations, an improved agreement for the drag force on particles in particle assemblies. The proposed framework significantly enhances the accuracy of hydrodynamic force predictions for both isolated particles and dense suspensions, without incurring the prohibitive computational costs associated with reconstructing undisturbed flow fields. This advancement lays the foundation for robust, scalable, and high-fidelity EL simulations of complex particulate flows across a wide range of industrial and environmental applications.

Random Forests have become a widely used tool in machine learning since their introduction in 2001, known for their strong performance in classification and regression tasks. One key feature of Random Forests is the Random Forest Permutation Importance Measure (RFPIM), an internal, non-parametric measure of variable importance. While widely used, theoretical work on RFPIM is sparse, and most research has focused on empirical findings. However, recent progress has been made, such as establishing consistency of the RFPIM, although a mathematical analysis of its asymptotic distribution is still missing. In this paper, we provide a formal proof of a Central Limit Theorem for RFPIM using U-Statistics theory. Our approach deviates from the conventional Random Forest model by assuming a random number of trees and imposing conditions on the regression functions and error terms, which must be bounded and additive, respectively. Our result aims at improving the theoretical understanding of RFPIM rather than conducting comprehensive hypothesis testing. However, our contributions provide a solid foundation and demonstrate the potential for future work to extend to practical applications which we also highlight with a small simulation study.

Many robotic tasks, such as human-robot interactions or the handling of fragile objects, require tight control and limitation of appearing forces and moments alongside sensible motion control to achieve safe yet high-performance operation. We propose a learning-supported model predictive force and motion control scheme that provides stochastic safety guarantees while adapting to changing situations. Gaussian processes are used to learn the uncertain relations that map the robot's states to the forces and moments. The model predictive controller uses these Gaussian process models to achieve precise motion and force control under stochastic constraint satisfaction. As the uncertainty only occurs in the static model parts -- the output equations -- a computationally efficient stochastic MPC formulation is used. Analysis of recursive feasibility of the optimal control problem and convergence of the closed loop system for the static uncertainty case are given. Chance constraint formulation and back-offs are constructed based on the variance of the Gaussian process to guarantee safe operation. The approach is illustrated on a lightweight robot in simulations and experiments.

Restaurant meal delivery has been rapidly growing in the last few years. The main challenges in operating it are the temporally and spatially dispersed stochastic demand that arrives from customers all over town as well as the customers' expectation of timely and fresh delivery. To overcome these challenges a new business concept emerged, "Ghost kitchens". This concept proposes synchronized food preparation of several restaurants in a central complex, exploiting consolidation benefits. However, dynamically scheduling food preparation and delivery is challenging and we propose operational strategies for the effective operations of ghost kitchens. We model the problem as a sequential decision process. For the complex, combinatorial decision space of scheduling order preparations, consolidating orders to trips, and scheduling trip departures, we propose a large neighborhood search procedure based on partial decisions and driven by analytical properties. Within the large neighborhood search, decisions are evaluated via a value function approximation, enabling anticipatory and real-time decision making. We show the effectiveness of our method and demonstrate the value of ghost kitchens compared to conventional meal delivery systems. We show that both integrated optimization of cook scheduling and vehicle dispatching, as well as anticipation of future demand and decisions, are essential for successful operations. We further derive several managerial insights, amongst others, that companies should carefully consider the trade-off between fast delivery and fresh food.

We formalise some aspects of the neural-symbol design patterns of van Bekkum et al., such that we can formally define notions of refinement of patterns, as well as modular combination of larger patterns from smaller building blocks. These formal notions are being implemented in the heterogeneous tool set (Hets), such that patterns and refinements can be checked for well-formedness, and combinations can be computed.

We explore the promising performance of a transformer model in predicting outputs of parametric dynamical systems with external time-varying input signals. The outputs of such systems vary not only with physical parameters but also with external time-varying input signals. Accurately catching the dynamics of such systems is challenging. We have adapted and extended an existing transformer model for single output prediction to a multiple-output transformer that is able to predict multiple output responses of these systems. The multiple-output transformer generalizes the interpretability of the original transformer. The generalized interpretable attention weight matrix explores not only the temporal correlations in the sequence, but also the interactions between the multiple outputs, providing explanation for the spatial correlation in the output domain. This multiple-output transformer accurately predicts the sequence of multiple outputs, regardless of the nonlinearity of the system and the dimensionality of the parameter space.

Let X be the set of integer points in some polyhedron. We investigate the smallest number of facets of any polyhedron whose set of integer points is X. This quantity, which we call the relaxation complexity of X, corresponds to the smallest number of linear inequalities of any integer program having X as the set of feasible solutions that does not use auxiliary variables. We show that the use of auxiliary variables is essential for constructing polynomial size integer programming formulations in many relevant cases. In particular, we provide asymptotically tight exponential lower bounds on the relaxation complexity of the integer points of several well-known combinatorial polytopes, including the traveling salesman polytope and the spanning tree polytope.

We present a data-driven approach to use the Koopman generator for prediction and optimal control of control-affine stochastic systems. We provide a novel conceptual approach and a proof-of-principle for the determination of optimal control policies which accelerate the simulation of rare events in metastable stochastic systems.

We consider a multi-armed bandit problem specified by a set of one-dimensional family exponential distributions endowed with a unimodal structure. We introduce IMED-UB, a algorithm that optimally exploits the unimodal-structure, by adapting to this setting the Indexed Minimum Empirical Divergence (IMED) algorithm introduced by Honda and Takemura [2015]. Owing to our proof technique, we are able to provide a concise finite-time analysis of IMED-UB algorithm. Numerical experiments show that IMED-UB competes with the state-of-the-art algorithms.

In stochastic multi-armed bandits, the reward distribution of each arm is assumed to be stationary. This assumption is often violated in practice (e.g., in recommendation systems), where the reward of an arm may change whenever is selected, i.e., rested bandit setting. In this paper, we consider the non-parametric rotting bandit setting, where rewards can only decrease. We introduce the filtering on expanding window average (FEWA) algorithm that constructs moving averages of increasing windows to identify arms that are more likely to return high rewards when pulled once more. We prove that for an unknown horizon $T$, and without any knowledge on the decreasing behavior of the $K$ arms, FEWA achieves problem-dependent regret bound of $\widetilde{\mathcal{O}}(\log{(KT)}),$ and a problem-independent one of $\widetilde{\mathcal{O}}(\sqrt{KT})$. Our result substantially improves over the algorithm of Levine et al. (2017), which suffers regret $\widetilde{\mathcal{O}}(K^{1/3}T^{2/3})$. FEWA also matches known bounds for the stochastic bandit setting, thus showing that the rotting bandits are not harder. Finally, we report simulations confirming the theoretical improvements of FEWA.

We study the problem of learning a Nash equilibrium (NE) in an imperfect information game (IIG) through self-play. Precisely, we focus on two-player, zero-sum, episodic, tabular IIG under the perfect-recall assumption where the only feedback is realizations of the game (bandit feedback). In particular, the dynamic of the IIG is not known -- we can only access it by sampling or interacting with a game simulator. For this learning setting, we provide the Implicit Exploration Online Mirror Descent (IXOMD) algorithm. It is a model-free algorithm with a high-probability bound on the convergence rate to the NE of order $1/\sqrt{T}$ where $T$ is the number of played games. Moreover, IXOMD is computationally efficient as it needs to perform the updates only along the sampled trajectory.

This work presents a non-intrusive reduced-order modeling framework for dynamical systems with spatially localized features characterized by slow singular value decay. The proposed approach builds upon two existing methodologies for reduced and full-order non-intrusive modeling, namely Operator Inference (OpInf) and sparse Full-Order Model (sFOM) inference. We decompose the domain into two complementary subdomains that exhibit fast and slow singular value decay. The dynamics of the subdomain exhibiting slow singular value decay are learned with sFOM while the dynamics with intrinsically low dimensionality on the complementary subdomain are learned with OpInf. The resulting, coupled OpInf-sFOM formulation leverages the computational efficiency of OpInf and the high resolution of sFOM, and thus enables fast non-intrusive predictions for conditions beyond those sampled in the training data set. A novel regularization technique with a closed-form solution based on the Gershgorin disk theorem is introduced to promote stable sFOM and OpInf models. We also provide a data-driven indicator for subdomain selection and ensure solution smoothness over the interface via a post-processing interpolation step. We evaluate the efficiency of the approach in terms of offline and online speedup through a quantitative, parametric computational cost analysis. We demonstrate the coupled OpInf-sFOM formulation for two test cases: a one-dimensional Burgers' model for which accurate predictions beyond the span of the training snapshots are presented, and a two-dimensional parametric model for the Pine Island Glacier ice thickness dynamics, for which the OpInf-sFOM model achieves an average prediction error on the order of $1 \%$ with an online speedup factor of approximately $8\times$ compared to the numerical simulation.

It is frequent for active or living entities to find themselves embedded in a surrounding medium. Resulting composite systems are usually classified as either active fluids or active solids. Yet, in reality, particularly in the biological context, a broad spectrum of viscoelasticity exists in between these two limits. There, both viscous and elastic properties are combined. To bridge the gap between active fluids and active solids, we here systematically derive a unified continuum-theoretical framework. It covers viscous, viscoelastic, and elastic active materials. Our continuum equations are obtained by coarse-graining a discrete, agent-based microscopic dynamic description. In our subsequent analysis, we mainly focus on thin active films on supporting substrates. Strength of activity and degree of elasticity are used as control parameters that control the overall behavior. We concentrate on the analysis of transitions between spatially uniform analytical solutions of collective migration. These include isotropic and polar, orientationally ordered states. A stationary polar solution of persistent directed collective motion is observed for rather fluid-like systems. It corresponds to the ubiquitous swarming state observed in various kinds of dry and wet active matter. With increasing elasticity, persistent motion in one direction is prevented by elastic anchoring and restoring forces. As a consequence, rotations of the spatially uniform migration direction and associated flow occur. Our unified description allows to continuously tune the material behavior from viscous, via viscoelastic, to elastic active behavior by variation of a single parameter. Therefore, it allows in the future to investigate the time evolution of complex systems and biomaterials such as biofilms within one framework.

We study the spin-$S$ Kitaev-Heisenberg model on the honeycomb lattice for $S\!=\!1/2$, $1$ and $3/2$, by using the coupled cluster method (CCM) of microscopic quantum many-body theory. This system is one of the earliest extensions of the Kitaev model and is believed to contain two extended spin liquid phases for any value of the spin quantum number $S$. We show that the CCM delivers accurate estimates for the phase boundaries of these spin liquid phases, as well as other transition points in the phase diagram. Moreover, we find evidence of two unexpected narrow phases for $S\!=\!1/2$, one sandwiched between the zigzag and ferromagnetic phases and the other between the N\'eel and the stripy phases. The results establish the CCM as a versatile numerical technique that can capture the strong quantum-mechanical fluctuations that are inherently present in generalized Kitaev models with competing bond-dependent anisotropies.