Variational assimilation of Lagrangian data in oceanography

We consider the assimilation of Lagrangian data into a primitive equations circulation model of the ocean at basin scale. The Lagrangian data are positions of floats drifting at fixed depth. We aim at reconstructing the four-dimensional space-time circulation of the ocean. This problem is solved using the four-dimensional variational technique and the adjoint method. In this problem the control vector is chosen as being the initial state of the dynamical system. The observed variables, namely the positions of the floats, are expressed as a function of the control vector via a nonlinear observation operator. This method has been implemented and has the ability to reconstruct the main patterns of the oceanic circulation. Moreover it is very robust with respect to increase of time-sampling period of observations. We have run many twin experiments in order to analyze the sensitivity of our method to the number of floats, the time-sampling period and the vertical drift level. We compare also the performances of the Lagrangian method to that of the classical Eulerian one. Finally we study the impact of errors on observations.Comment: 31 page

Using Automatic Differentiation for Adjoint CFD Code Development

This paper addresses the concerns of CFD code developers who are facing the task of creating a discrete adjoint CFD code for design optimisation. It discusses how the development of such a code can be greatly eased through the selective use of Automatic Differentiation, and how the software development can be subjected to a sequence of checks to ensure the correctness of the final software

An adjoint for likelihood maximization

The process of likelihood maximization can be found in many different areas of computational modelling. However, the construction of such models via likelihood maximization requires the solution of a difficult multi-modal optimization problem involving an expensive O(n3) factorization. The optimization techniques used to solve this problem may require many such factorizations and can result in a significant bottle-neck. This article derives an adjoint formulation of the likelihood employed in the construction of a kriging model via reverse algorithmic differentiation. This adjoint is found to calculate the likelihood and all of its derivatives more efficiently than the standard analytical method and can therefore be utilised within a simple local search or within a hybrid global optimization to accelerate convergence and therefore reduce the cost of the likelihood optimization

Monte Carlo evaluation of sensitivities in computational finance

In computational finance, Monte Carlo simulation is used to compute the correct prices for financial options. More important, however, is the ability to compute the so-called "Greeks'', the first and second order derivatives of the prices with respect to input parameters such as the current asset price, interest rate and level of volatility.\ud \ud This paper discusses the three main approaches to computing Greeks: finite difference, likelihood ratio method (LRM) and pathwise sensitivity calculation. The last of these has an adjoint implementation with a computational cost which is independent of the number of first derivatives to be calculated. We explain how the practical development of adjoint codes is greatly assisted by using Algorithmic Differentiation, and in particular discuss the performance achieved by the FADBAD++ software package which is based on templates and operator overloading within C++.\ud \ud The pathwise approach is not applicable when the financial payoff function is not differentiable, and even when the payoff is differentiable, the use of scripting in real-world implementations means it can be very difficult in practice to evaluate the derivative of very complex financial products. A new idea is presented to address these limitations by combining the adjoint pathwise approach for the stochastic path evolution with LRM for the payoff evaluation

Smoking Adjoints: fast evaluation of Greeks in Monte Carlo calculations

This paper presents an adjoint method to accelerate the calculation of Greeks by Monte Carlo simulation. The method calculates price sensitivities along each path; but in contrast to a forward pathwise calculation, it works backward recursively using adjoint variables. Along each path, the forward and adjoint implementations produce the same values, but the adjoint method rearranges the calculations to generate potential computational savings. The adjoint method outperforms a forward implementation in calculating the sensitivities of a small number of outputs to a large number of inputs. This applies, for example, in estimating the sensitivities of an interest rate derivatives book to multiple points along an initial forward curve or the sensitivities of an equity derivatives book to multiple points on a volatility surface. We illustrate the application of the method in the setting of the LIBOR market model. Numerical results confirm that the computational advantage of the adjoint method grows in proportion to the number of initial forward rates

Development of the adjoint of GEOS-Chem

We present the adjoint of the global chemical transport model GEOS-Chem, focusing on the chemical and thermodynamic relationships between sulfate – ammonium – nitrate aerosols and their gas-phase precursors. The adjoint model is constructed from a combination of manually and automatically derived discrete adjoint algorithms and numerical solutions to continuous adjoint equations. Explicit inclusion of the processes that govern secondary formation of inorganic aerosol is shown to afford efficient calculation of model sensitivities such as the dependence of sulfate and nitrate aerosol concentrations on emissions of SOx, NOx, and NH3. The adjoint model is extensively validated by comparing adjoint to finite difference sensitivities, which are shown to agree within acceptable tolerances; most sets of comparisons have a nearly 1:1 correlation and R2>0.9. We explore the robustness of these results, noting how insufficient observations or nonlinearities in the advection routine can degrade the adjoint model performance. The potential for inverse modeling using the adjoint of GEOS-Chem is assessed in a data assimilation framework through a series of tests using simulated observations, demonstrating the feasibility of exploiting gas- and aerosol-phase measurements for optimizing emission inventories of aerosol precursors

FATODE: A Library for Forward, Adjoint, and Tangent Linear Integration of ODEs

FATODE is a FORTRAN library for the integration of ordinary differential equations with direct and adjoint sensitivity analysis capabilities. The paper describes the capabilities, implementation, code organization, and usage of this package. FATODE implements four families of methods -- explicit Runge-Kutta for nonstiff problems and fully implicit Runge-Kutta, singly diagonally implicit Runge-Kutta, and Rosenbrock for stiff problems. Each family contains several methods with different orders of accuracy; users can add new methods by simply providing their coefficients. For each family the forward, adjoint, and tangent linear models are implemented. General purpose solvers for dense and sparse linear algebra are used; users can easily incorporate problem-tailored linear algebra routines. The performance of the package is demonstrated on several test problems. To the best of our knowledge FATODE is the first publicly available general purpose package that offers forward and adjoint sensitivity analysis capabilities in the context of Runge Kutta methods. A wide range of applications are expected to benefit from its use; examples include parameter estimation, data assimilation, optimal control, and uncertainty quantification

Algorithmic differentiation and the calculation of forces by quantum Monte Carlo

We describe an efficient algorithm to compute forces in quantum Monte Carlo using adjoint algorithmic differentiation. This allows us to apply the space warp coordinate transformation in differential form, and compute all the 3M force components of a system with M atoms with a computational effort comparable with the one to obtain the total energy. Few examples illustrating the method for an electronic system containing several water molecules are presented. With the present technique, the calculation of finite-temperature thermodynamic properties of materials with quantum Monte Carlo will be feasible in the near future.Comment: 32 pages, 4 figure, to appear in The Journal of Chemical Physic