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Finite-temperature many-body perturbation theory for electrons: Algebraic recursive definitions, second-quantized derivation, linked-diagram theorem, general-order algorithms, and grand canonical and canonical ensembles

A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the Rayleigh–Schrödinger perturbation theory are derived for the grand potential, chemical potential, internal energy, and entropy in the grand canonical ensemble and for the Helmholtz energy, internal energy, and entropy in the canonical ensemble, leading to their sum-over-states analytical formulas at any arbitrary order. For the grand canonical ensemble, these sum-over-states formulas are systematically transformed to sum-over-orbitals reduced analytical formulas by the quantum-field-theoretical techniques of normal-ordered second quantization and Feynman diagrams extended to finite temperature. It is found that the perturbation corrections to energies entering the recursions have to be treated as a nondiagonal matrix, whose off-diagonal elements are generally nonzero within a subspace spanned by degenerate Slater determinants. They give rise to a unique set of linked diagrams—renormalization diagrams—whose resolvent lines are displaced upward, which are distinct from the well-known anomalous diagrams of which one or more resolvent lines are erased. A linked-diagram theorem is introduced that proves the size-consistency of the finite-temperature many-body perturbation theory at any order. General-order algorithms implementing the recursions establish the convergence of the perturbation series toward the finite-temperature full-configuration-interaction limit unless the series diverges. As a result, the normal-ordered Hamiltonian at finite temperature sheds light on the relationship between the finite-temperature Hartree–Fock and first-order many-body perturbation theories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cache Locality Optimization for Recursive Programs

We present an approach to optimize the cache locality for recursive programs by dynamically splicing--recursively interleaving--the execution of distinct function invocations. By utilizing data effect annotations, we identify concurrency and data reuse opportunities across function invocations and interleave them to reduce reuse distance. We present algorithms that efficiently track effects in recursive programs, detect interference and dependencies, and interleave execution of function invocations using user-level (non-kernel) lightweight threads. To enable multi-core execution, a program is parallelized using a nested fork/join programming model. Our cache optimization strategy is designed to work in the context of a random work stealing scheduler. We present an implementation using the MIT Cilk framework that demonstrates significant improvements in sequential and parallel performance, competitive with a state-of-the-art compile-time optimizer for loop programs and a domain- specific optimizer for stencil programs.

Lifflander, Jonathan↗

On Defense Strategies for Recursive System of Systems Using Aggregated Correlations

We consider a class of Recursive System of Systems (RSoS), wherein systems are recursively defined and the basic systems at finest level are composed of discrete cyber and physical components. This formulation captures the models of systems that are adaptively refined to account for their varied structure, such as sites of a heterogenous distributed computing infrastructure. The components can be disrupted by cyber of physical means, and can also be suitably reinforced to survive the attacks. We characterize the disruptions at each level of recursion using aggregate failure correlation functions that specify the conditional failure probability of RSoS given the failure of an individual system at that level. At finest levels, the survival probabilities of basic systems satisfy simple product-form, first order differential conditions using the multiplier functions, which generalize conditions based on contest success functions and statistical independence of component survival probabilities. We formulate the problem of ensuring the performance of RSoS as a game between an attacker and a provider, each with a utility function composed of a survival probability term and a cost term, both expressed in terms of the number of basic system components attacked and reinforced. We derive sensitivity functions at Nash Equilibrium that highlight the dependence of survival probabilities of systems on cost terms, correlation functions, and their partial derivatives. We apply these results to a simplified model of distributed high-performance computing infrastructures.

Rao, Nageswara↗

The inclusion problem for monadic recursion schemes

The inclusion problem for the class of monadic recursion schemes is shown to be undecidable. The proof illustrates the close relationship between monadic recursion schemes and deterministic pushdown automata. The proof is extended to show that both the weak equivalence problem for the class of monadic recursion schemes and the weak equivalence problem for the class of free schemes without identity are undecidable.

Friedman, E. P.↗

Recursive estimation of prior probabilities using the mixture approach

The problem of estimating the prior probabilities q sub k of a mixture of known density functions f sub k(X), based on a sequence of N statistically independent observations is considered. It is shown that for very mild restrictions on f sub k(X), the maximum likelihood estimate of Q is asymptotically efficient. A recursive algorithm for estimating Q is proposed, analyzed, and optimized. For the M = 2 case, it is possible for the recursive algorithm to achieve the same performance with the maximum likelihood one. For M 2, slightly inferior performance is the price for having a recursive algorithm. However, the loss is computable and tolerable.

Kazakos, D.↗

Theory and applications of sampled analog recursive CTD comb filters

Sampled analog comb filter using a recursive filter implementation was studied. Charge transfer device delay lines were used as the delay elements. The similarities and differences between sampled analog recursive filter and digital recursive filter were pointed out. Both canceller type and integrator type comb filter using the first order or the second order canonical circuits were studied. Experimental results of frequency response are presented to show their difference from that of digital filters. A theoretical analysis was presented based essentially on the digital filter theory but modified to take into account the differences described above. The usefulness of this theory in analyzing the comb filter characteristics was discussed. Several applications of both the canceller type comb filter and the integrator type comb filter were demonstrated.

Tao, T. F.↗

Recursive algorithms for two-dimensional smoothing using bicubic hermite polynomial

It is noted that in the past, smoothing splines originated from approximation theory have been successfully applied to data filtering and image smoothing problems. Even though the nonrecursive technique of smoothing splines gives an optimal solution, the amount of computation increases rapidly with the size of the two-dimensional data. A derivation is presented here of quarter-plane filtering algorithms that provide smoothed estimates of function values and their derivatives by fitting two-dimensional smoothing splines in a recursive manner. The derivation procedure sheds light on specific problems encountered in two-dimensional filtering problems. What is more, the amount of computation for this recursive processor increases only linearly with the size of the two-dimensional data. Because of certain approximations introduced in its derivation, this recursive processor becomes suboptimal.

Kim, C. S.↗

Deterministic properties of the recursive separable median filter

The recursive separable median filter has been successfully used to extract features from noisy two-dimensional signals. In many applications, it gives better noise suppression and edge preservation than the standard separable median filter. In this paper, a new approach is used for studying the deterministic properties of separable median filters. In particular, using threshold decomposition, the root structure of the recursive separable median filter is derived, where a root is a signal invariant to further filtering. It is shown that these root structures differ from those of their nonrecursive counterparts. It is also shown that any two-dimensional signal will converge to a root after repeated passes of the recursive separable median filter.

Mcloughlin, Michael P.↗

Recursive form of the eigensystem realization algorithm for system identification

An algorithm is developed for recursively calculating the minimum realization of a linear system from sampled impulse response data. The Gram-Schmidt orthonormalization technique is used to generate an orthonormal basis for factorization of the data matrix. The system matrix thus identified is in upper Hessenberg form, which has advantages for the identification of modal parameters including damping coefficients, frequencies, mode shapes, and modal participation factors. It also has the property that once an element of the system matrix is computed, it is never altered as the dimension of the model is increased in the recursive process. Numerical examples are presented for comparison of the recursive and nonrecursive forms of the eigensystem realization algorithm.

Longman, Richard W.↗

Recursive linearization of multibody dynamics equations of motion

The equations of motion of a multibody system are nonlinear in nature, and thus pose a difficult problem in linear control design. One approach is to have a first-order approximation through the numerical perturbations at a given configuration, and to design a control law based on the linearized model. Here, a linearized model is generated analytically by following the footsteps of the recursive derivation of the equations of motion. The equations of motion are first written in a Newton-Euler form, which is systematic and easy to construct; then, they are transformed into a relative coordinate representation, which is more efficient in computation. A new computational method for linearization is obtained by applying a series of first-order analytical approximations to the recursive kinematic relationships. The method has proved to be computationally more efficient because of its recursive nature. It has also turned out to be more accurate because of the fact that analytical perturbation circumvents numerical differentiation and other associated numerical operations that may accumulate computational error, thus requiring only analytical operations of matrices and vectors. The power of the proposed linearization algorithm is demonstrated, in comparison to a numerical perturbation method, with a two-link manipulator and a seven degrees of freedom robotic manipulator. Its application to control design is also demonstrated.

Lin, Tsung-Chieh↗

Recursive calculation of geared robot manipulator dynamics

A recursive formulation is presented for the calculation of the inverse and forward dynamics of rigid robot manipulators with gear systems on each joint. The complete effects of the gear ratios and the gyroscopic effects of the spinning motor/gear are included in the recursive formulation. The forward dynamics solution recursively calculates the joint accelerations when given motor torques, and the number of computations grows linearly with the number of links.

Murphy, Steve H.↗

Recursive dynamics for flexible multibody systems using spatial operators

Due to their structural flexibility, spacecraft and space manipulators are multibody systems with complex dynamics and possess a large number of degrees of freedom. Here the spatial operator algebra methodology is used to develop a new dynamics formulation and spatially recursive algorithms for such flexible multibody systems. A key feature of the formulation is that the operator description of the flexible system dynamics is identical in form to the corresponding operator description of the dynamics of rigid multibody systems. A significant advantage of this unifying approach is that it allows ideas and techniques for rigid multibody systems to be easily applied to flexible multibody systems. The algorithms use standard finite-element and assumed modes models for the individual body deformation. A Newton-Euler Operator Factorization of the mass matrix of the multibody system is first developed. It forms the basis for recursive algorithms such as for the inverse dynamics, the computation of the mass matrix, and the composite body forward dynamics for the system. Subsequently, an alternative Innovations Operator Factorization of the mass matrix, each of whose factors is invertible, is developed. It leads to an operator expression for the inverse of the mass matrix, and forms the basis for the recursive articulated body forward dynamics algorithm for the flexible multibody system. For simplicity, most of the development here focuses on serial chain multibody systems. However, extensions of the algorithms to general topology flexible multibody systems are described. While the computational cost of the algorithms depends on factors such as the topology and the amount of flexibility in the multibody system, in general, it appears that in contrast to the rigid multibody case, the articulated body forward dynamics algorithm is the more efficient algorithm for flexible multibody systems containing even a small number of flexible bodies. The variety of algorithms described here permits a user to choose the algorithm which is optimal for the multibody system at hand. The availability of a number of algorithms is even more important for real-time applications, where implementation on parallel processors or custom computing hardware is often necessary to maximize speed.

Jain, A.↗

Efficient control with an order (n) recursive inversion of the Jacobian for an n-link serial manipulator

A method is presented to order (n) recursively invert the Jacobian matrix for a serial n-link manipulator. By realizing that the Jacobian relationship involving accelerations is a special case for the forward dynamics problem, it is possible to obtain the Jacobian inverse by directly applying Rodriguez's (1987) recursive forward dynamics algorithm. In this technique, the n-link robot equation is formulated as a spatially recursive algorithm in the form of a filtering and smoothing problem. To compute the Jacobian inverse via this algorithm, the n-link manipulator is modeled with only a unit end-point mass and zero applied torques.

Meldrum, D. R.↗

Recursive flexible multibody system dynamics using spatial operators

This paper uses spatial operators to develop new spatially recursive dynamics algorithms for flexible multibody systems. The operator description of the dynamics is identical to that for rigid multibody systems. Assumed-mode models are used for the deformation of each individual body. The algorithms are based on two spatial operator factorizations of the system mass matrix. The first (Newton-Euler) factorization of the mass matrix leads to recursive algorithms for the inverse dynamics, mass matrix evaluation, and composite-body forward dynamics for the systems. The second (innovations) factorization of the mass matrix, leads to an operator expression for the mass matrix inverse and to a recursive articulated-body forward dynamics algorithm. The primary focus is on serial chains, but extensions to general topologies are also described. A comparison of computational costs shows that the articulated-body, forward dynamics algorithm is much more efficient than the composite-body algorithm for most flexible multibody systems.

Jain, A.↗

Recursive Deadbeat Controller Design

This paper presents a recursive algorithm for a deadbeat predictive controller design. The method combines together the concepts of system identification and deadbeat controller designs. It starts with the multi-step output prediction equation and derives the control force in terms of past input and output time histories. The formulation thus derived satisfies simultaneously system identification and deadbeat controller design requirements. As soon as the coefficient matrices are identified satisfying the output prediction equation, no further work is required to compute the deadbeat control gain matrices. The method can be implemented recursively just as any typical recursive system identification techniques.

Juang, Jer-Nan↗

Recursive Hierarchical Image Segmentation by Region Growing and Constrained Spectral Clustering

This paper describes an algorithm for hierarchical image segmentation (referred to as HSEG) and its recursive formulation (referred to as RHSEG). The HSEG algorithm is a hybrid of region growing and constrained spectral clustering that produces a hierarchical set of image segmentations based on detected convergence points. In the main, HSEG employs the hierarchical stepwise optimization (HS WO) approach to region growing, which seeks to produce segmentations that are more optimized than those produced by more classic approaches to region growing. In addition, HSEG optionally interjects between HSWO region growing iterations merges between spatially non-adjacent regions (i.e., spectrally based merging or clustering) constrained by a threshold derived from the previous HSWO region growing iteration. While the addition of constrained spectral clustering improves the segmentation results, especially for larger images, it also significantly increases HSEG's computational requirements. To counteract this, a computationally efficient recursive, divide-and-conquer, implementation of HSEG (RHSEG) has been devised and is described herein. Included in this description is special code that is required to avoid processing artifacts caused by RHSEG s recursive subdivision of the image data. Implementations for single processor and for multiple processor computer systems are described. Results with Landsat TM data are included comparing HSEG with classic region growing. Finally, an application to image information mining and knowledge discovery is discussed.

Tilton, James C.↗

Parameter Uncertainty for Aircraft Aerodynamic Modeling using Recursive Least Squares

A real-time method was demonstrated for determining accurate uncertainty levels of stability and control derivatives estimated using recursive least squares and time-domain data. The method uses a recursive formulation of the residual autocorrelation to account for colored residuals, which are routinely encountered in aircraft parameter estimation and change the predicted uncertainties. Simulation data and flight test data for a subscale jet transport aircraft were used to demonstrate the approach. Results showed that the corrected uncertainties matched the observed scatter in the parameter estimates, and did so more accurately than conventional uncertainty estimates that assume white residuals. Only small differences were observed between batch estimates and recursive estimates at the end of the maneuver. It was also demonstrated that the autocorrelation could be reduced to a small number of lags to minimize computation and memory storage requirements without significantly degrading the accuracy of predicted uncertainty levels.

Grauer, Jared A.↗

Formal Verification of Termination Criteria for First-Order Recursive Functions

This paper presents a formalization of several termination criteria for first-order recursive functions. The formalization, which is developed in the Prototype Verification System (PVS), includes the specification and proof of equivalence of semantic termination, Turing termination, size change principle, calling context graphs, and matrix-weighted graphs. These termination criteria are defined on a computational model that consists of a basic functional language called PVS0, which is an embedding of recursive first-order functions. Through this embedding, the native mechanism for checking termination of recursive functions in PVS could be soundly extended with semi-automatic termination criteria such as calling contexts graphs. As a proof of concept, this paper illustrates how such an extension can be implemented using proof strategies based on computational reflection.

Formal Verification↗