Christian Bayer

Christian Bayer, Markus Siebenmorgen, Raul Tempone

We consider the problem of pricing basket options in a multivariate Black Scholes or Variance Gamma model. From a numerical point of view, pricing such options corresponds to moderate and high dimensional numerical integration problems with non-smooth integrands. Due to this lack of regularity, higher order numerical integration techniques may not be directly available, requiring the use of methods like Monte Carlo specifically designed to work for non-regular problems. We propose to use the inherent smoothing property of the density of the underlying in the above models to mollify the payoff function by means of an exact conditional expectation. The resulting conditional expectation is unbiased and yields a smooth integrand, which is amenable to the efficient use of adaptive sparse grid cubature. Numerical examples indicate that the high-order method may perform orders of magnitude faster compared to Monte Carlo or Quasi Monte Carlo in dimensions up to 35.

Christian Bayer, Håkon Hoel, Petr Plecháč et al.

Born-Oppenheimer dynamics is shown to provide an accurate approximation of time-independent Schrödinger observables for a molecular system with an electron spectral gap, in the limit of large ratio of nuclei and electron masses, without assuming that the nuclei are localized to vanishing domains. The derivation, based on a Hamiltonian system interpretation of the Schrödinger equation and stability of the corresponding Hamilton-Jacobi equation, bypasses the usual separation of nuclei and electron wave functions, includes caustic states and gives a different perspective on the Born-Oppenheimer approximation, Schrödinger Hamiltonian systems and numerical simulation in molecular dynamics modeling at constant energy microcanonical ensembles.

Christian Bayer, Hilmar Mai, John Schoenmakers

We develop a forward-reverse EM (FREM) algorithm for estimating parameters that determine the dynamics of a discrete time Markov chain evolving through a certain measurable state space. As a key tool for the construction of the FREM method we develop forward-reverse representations for Markov chains conditioned on a certain terminal state. These representations may be considered as an extension of the earlier work Bayer and Schoenmakers [2013] on conditional diffusions. We proof almost sure convergence of our algorithm for a Markov chain model with curved exponential family structure. On the numerical side we give a complexity analysis of the forward-reverse algorithm by deriving its expected cost. Two application examples are discuss to demonstrate the scope of possible applications ranging from models based on continuous time processes to discrete time Markov chain models.

Christian Bayer, Davit Gogolashvili, Luca Pelizzari

We study nonparametric regression and classification for path-valued data. We introduce a functional Nadaraya-Watson estimator that combines the signature transform from rough path theory with local kernel regression. The signature transform provides a principled way to encode sequential data through iterated integrals, enabling direct comparison of paths in a natural metric space. Our approach leverages signature-induced distances within the classical kernel regression framework, achieving computational efficiency while avoiding the scalability bottlenecks of large-scale kernel matrix operations. We establish finite-sample convergence bounds demonstrating favorable statistical properties of signature-based distances compared to traditional metrics in infinite-dimensional settings. We propose robust signature variants that provide stability against outliers, enhancing practical performance. Applications to both synthetic and real-world data - including stochastic differential equation learning and time series classification - demonstrate competitive accuracy while offering significant computational advantages over existing methods.

Christian Bayer, Peter K. Friz, Nikolas Tapia

Using rough path techniques, we provide a priori estimates for the output of Deep Residual Neural Networks in terms of both the input data and the (trained) network weights. As trained network weights are typically very rough when seen as functions of the layer, we propose to derive stability bounds in terms of the total $p$-variation of trained weights for any $p\in[1,3]$. Unlike the $C^1$-theory underlying the neural ODE literature, our estimates remain bounded even in the limiting case of weights behaving like Brownian motions, as suggested in [arXiv:2105.12245]. Mathematically, we interpret residual neural network as solutions to (rough) difference equations, and analyse them based on recent results of discrete time signatures and rough path theory.

Christian Bayer, Denis Belomestny, Paul Hager et al.

Least squares Monte Carlo methods are a popular numerical approximation method for solving stochastic control problems. Based on dynamic programming, their key feature is the approximation of the conditional expectation of future rewards by linear least squares regression. Hence, the choice of basis functions is crucial for the accuracy of the method. Earlier work by some of us [Belomestny, Schoenmakers, Spokoiny, Zharkynbay. Commun.~Math.~Sci., 18(1):109-121, 2020](arXiv:1808.02341) proposes to reinforce the basis functions in the case of optimal stopping problems by already computed value functions for later times, thereby considerably improving the accuracy with limited additional computational cost. We extend the reinforced regression method to a general class of stochastic control problems, while considerably improving the method's efficiency, as demonstrated by substantial numerical examples as well as theoretical analysis.

Christian Bayer, Benjamin Stemper

Sparked by Alòs, León, and Vives (2007); Fukasawa (2011, 2017); Gatheral, Jaisson, and Rosenbaum (2018), so-called rough stochastic volatility models such as the rough Bergomi model by Bayer, Friz, and Gatheral (2016) constitute the latest evolution in option price modeling. Unlike standard bivariate diffusion models such as Heston (1993), these non-Markovian models with fractional volatility drivers allow to parsimoniously recover key stylized facts of market implied volatility surfaces such as the exploding power-law behaviour of the at-the-money volatility skew as time to maturity goes to zero. Standard model calibration routines rely on the repetitive evaluation of the map from model parameters to Black-Scholes implied volatility, rendering calibration of many (rough) stochastic volatility models prohibitively expensive since there the map can often only be approximated by costly Monte Carlo (MC) simulations (Bennedsen, Lunde, & Pakkanen, 2017; McCrickerd & Pakkanen, 2018; Bayer et al., 2016; Horvath, Jacquier, & Muguruza, 2017). As a remedy, we propose to combine a standard Levenberg-Marquardt calibration routine with neural network regression, replacing expensive MC simulations with cheap forward runs of a neural network trained to approximate the implied volatility map. Numerical experiments confirm the high accuracy and speed of our approach.

Christian Bayer, Hakon Hoel, Ashraful Kadir et al.

The difference of the values of observables for the time-independent Schroedinger equation, with matrix valued potentials, and the values of observables for ab initio Born-Oppenheimer molecular dynamics, of the ground state, depends on the probability to be in excited states and the electron/nuclei mass ratio. The paper first proves an error estimate (depending on the electron/nuclei mass ratio and the probability to be in excited states) for this difference of microcanonical observables, assuming that molecular dynamics space-time averages converge, with a rate related to the maximal Lyapunov exponent. The error estimate is uniform in the number of particles and the analysis does not assume a uniform lower bound on the spectral gap of the electron operator and consequently the probability to be in excited states can be large. A numerical method to determine the probability to be in excited states is then presented, based on Ehrenfest molecular dynamics and stability analysis of a perturbed eigenvalue problem.

Christian Bayer, Alvaro Moraes, Raul Tempone et al.

In this work, we present an extension to the context of Stochastic Reaction Networks (SRNs) of the forward-reverse representation introduced in "Simulation of forward-reverse stochastic representations for conditional diffusions", a 2014 paper by Bayer and Schoenmakers. We apply this stochastic representation in the computation of efficient approximations of expected values of functionals of SNR bridges, i.e., SRNs conditioned to its values in the extremes of given time-intervals. We then employ this SNR bridge-generation technique to the statistical inference problem of approximating the reaction propensities based on discretely observed data. To this end, we introduce a two-phase iterative inference method in which, during phase I, we solve a set of deterministic optimization problems where the SRNs are replaced by their reaction-rate Ordinary Differential Equations (ODEs) approximation; then, during phase II, we apply the Monte Carlo version of the Expectation-Maximization (EM) algorithm starting from the phase I output. By selecting a set of over dispersed seeds as initial points for phase I, the output of parallel runs from our two-phase method is a cluster of approximate maximum likelihood estimates. Our results are illustrated by numerical examples.

Christian Bayer, Josef Teichmann

We provide a simple proof of Tchakaloff's Theorem on the existence of cubature formulas of degree $m$ for Borel measures with moments up to order $m$. The result improves known results for non-compact supports, since we do not need conditions on $(m+1)$st moments.