Application of modern network theory to analysis of complex systems
Modern network theory applications to analysis of complex systems
Faken, J. C.↗
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Predictive Complexity of Quantum Subsystems
We define predictive states and predictive complexity for quantum systems composed of distinct subsystems. This complexity is a generalization of entanglement entropy. It is inspired by the statistical or forecasting complexity of predictive state analysis of stochastic and complex systems theory but is intrinsically quantum. Predictive states of a subsystem are formed by equivalence classes of state vectors in the exterior Hilbert space that effectively predict the same future behavior of that subsystem for some time. As an illustrative example, we present calculations in the dynamics of an isotropic Heisenberg model spin chain and show that, in comparison to the entanglement entropy, the predictive complexity better signifies dynamically important events, such as magnon collisions. It can also serve as a local order parameter that can distinguish long and short range entanglement.
Asplund, Curtis T. (ORCID:0000000305575850)↗
Information transfer in complex systems, with applications to regulation
Information theory of complex systems
Conant, R. C.↗
Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems
Coupled-cluster theory (CC) is a highly accurate and versatile method for simulating complex interactions within quantum systems. The extension of CC theory to model mixed electron-photon processes with quantum electrodynamics (QED) has improved our capability to predict cavity-modified chemistry, a field where photons are used as cost-effective and eco-friendly alternatives to catalyze/inhibit chemical reactions. However, calculations with CC methods, even without incorporating QED effects, are often prohibitively expensive. Simulations of larger systems require scalable infrastructures that exist for traditional CC methods but not for QED-CC methods. As such, we present a GPU-enabled, high-performance, open-source implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) within the ExaChem quantum chemistry software package. ExaChem relies on the Tensor Algebra for Many-body Methods (TAMM) infrastructure: a parallel heterogeneous tensor library designed to achieve scalable performance on modern heterogeneous supercomputing platforms. Furthermore, we discuss theoretical foundations, algorithmic details, and numerical benchmarks to showcase the larger systems that ExaChem can simulate and how the integration of photonic degrees-of-freedom alters their ground-state properties.
Basis sets↗
Achieving designed texture and flows in bulk active nematics using optimal control theory
Being intrinsically nonequilibrium, active materials can potentially perform functions that would be thermodynamically forbidden in passive materials. However, active systems have diverse local attractors that correspond to distinct dynamical states, many of which exhibit chaotic turbulent-like dynamics and thus cannot perform work or useful functions. Designing such a system to choose a specific dynamical state is a formidable challenge. Motivated by recent advances enabling optogenetic control of experimental active materials, we describe an optimal control theory framework that identifies a spatiotemporal sequence of light-generated activity that drives an active nematic system toward a prescribed dynamical steady state. Active nematics are unstable to spontaneous defect proliferation and chaotic streaming dynamics in the absence of control. We demonstrate that optimal control theory can compute activity fields that redirect the dynamics into a variety of alternative dynamical programs and functions. This includes dynamically reconfiguring between states, selecting and stabilizing emergent behaviors that do not correspond to attractors, and are hence unstable in the uncontrolled system. Furthermore, our results provide a roadmap to leverage optical control methods to rationally design structure, dynamics, and function in a wide variety of active materials.
Complex systems theory↗
An experimental approach to validating a theory of human error in complex systems
The problem of 'human error' is pervasive in engineering systems in which the human is involved. In contrast to the common engineering approach of dealing with error probabilistically, the present research seeks to alleviate problems associated with error by gaining a greater understanding of causes and contributing factors from a human information processing perspective. The general approach involves identifying conditions which are hypothesized to contribute to errors, and experimentally creating the conditions in order to verify the hypotheses. The conceptual framework which serves as the basis for this research is discussed briefly, followed by a description of upcoming research. Finally, the potential relevance of this research to design, training, and aiding issues is discussed.
Morris, N. M.↗
Information transfer in complex systems, with applications to regulation Interim scientific report
Information theory and relevance to study of complex systems
Conant, R. C.↗
Design and control strategies for CELSS - Integrating mechanistic paradigms and biological complexities
Systems analysis and control theory consideration are given to simulations of both individual components and total systems, in order to develop a reliable control strategy for a Controlled Ecological Life Support System (CELSS) which includes complex biological components. Because of the numerous nonlinearities and tight coupling within the biological component, classical control theory may be inadequate and the statistical analysis of factorial experiments more useful. The range in control characteristics of particular species may simplify the overall task by providing an appropriate balance of stability and controllability to match species function in the overall design. The ultimate goal of this research is the coordination of biological and mechanical subsystems in order to achieve a self-supporting environment.
Moore, B., III↗
A NASA initiative: Software engineering for reliable complex systems
The objective is the development of methods, technology, and skills that will enable NASA to cost-effectively specify, build, and manage reliable software which can evolve and be maintained over an extended period. The need for such software is rooted in the increasing integration of software and computing components into NASA systems. Current NASA Software Engineering expertise was applied toward some of the largest reliable systems including: shuttle launch; ground support; shuttle simulation; minor control; satellite tracking; and scientific data systems. Unfortunately, no theory exists for reliable complex software systems. NASA is seeking to fill this theoretical gap through a number of approaches. One such approach is to conduct research on theoretical foundations for managing complex software systems. It includes: communication models, new and modified paradigms, and life-cycle models. Another approach is research in the theoretical foundations for reliable software development and validation. It focuses upon formal specifications, programming languages, software engineering systems, software reuse, formal verification, and software safety. Further approaches involve benchmarking a NASA software environment, experimentation within the NASA context, evolution of present NASA methodology, and transfer of technology to the space station software support environment.
Holcomb, Lee B.↗
Integrated control-system design via generalized LQG (GLQG) theory
Thirty years of control systems research has produced an enormous body of theoretical results in feedback synthesis. Yet such results see relatively little practical application, and there remains an unsettling gap between classical single-loop techniques (Nyquist, Bode, root locus, pole placement) and modern multivariable approaches (LQG and H infinity theory). Large scale, complex systems, such as high performance aircraft and flexible space structures, now demand efficient, reliable design of multivariable feedback controllers which optimally tradeoff performance against modeling accuracy, bandwidth, sensor noise, actuator power, and control law complexity. A methodology is described which encompasses numerous practical design constraints within a single unified formulation. The approach, which is based upon coupled systems or modified Riccati and Lyapunov equations, encompasses time-domain linear-quadratic-Gaussian theory and frequency-domain H theory, as well as classical objectives such as gain and phase margin via the Nyquist circle criterion. In addition, this approach encompasses the optimal projection approach to reduced-order controller design. The current status of the overall theory will be reviewed including both continuous-time and discrete-time (sampled-data) formulations.
Bernstein, Dennis S.↗
Prospects of a mathematical theory of human behavior in complex man-machine systems tasks
A hierarchy of human activities is derived by analyzing automobile driving in general terms. A structural description leads to a block diagram and a time-sharing computer analogy. The range of applicability of existing mathematical models is considered with respect to the hierarchy of human activities in actual complex tasks. Other mathematical tools so far not often applied to man machine systems are also discussed. The mathematical descriptions at least briefly considered here include utility, estimation, control, queueing, and fuzzy set theory as well as artificial intelligence techniques. Some thoughts are given as to how these methods might be integrated and how further work might be pursued.
Johannsen, G.↗
An approximate Kalman filter for ocean data assimilation: An example with an idealized Gulf Stream model
A practical method of data assimilation for use with large, nonlinear, ocean general circulation models is explored. A Kalman filter based on approximation of the state error covariance matrix is presented, employing a reduction of the effective model dimension, the error's asymptotic steady state limit, and a time-invariant linearization of the dynamic model for the error integration. The approximations lead to dramatic computational savings in applying estimation theory to large complex systems. We examine the utility of the approximate filter in assimilating different measurement types using a twin experiment of an idealized Gulf Stream. A nonlinear primitive equation model of an unstable east-west jet is studied with a state dimension exceeding 170,000 elements. Assimilation of various pseudomeasurements are examined, including velocity, density, and volume transport at localized arrays and realistic distributions of satellite altimetry and acoustic tomography observations. Results are compared in terms of their effects on the accuracies of the estimation. The approximate filter is shown to outperform an empirical nudging scheme used in a previous study. The examples demonstrate that useful approximate estimation errors can be computed in a practical manner for general circulation models.
Fukumori, Ichiro↗
The new organization: Rethinking work in the age of virtuality
Like two enormous steam engines, throttles wide-open, bells clanging and whistles screeching, careening toward each other down the same track, two powerful forces are about to collide and the point of collision will be smack in the middle of the white-collar workplace. Moreover, once the dust has settled, it is quite likely that we will never be able to think about the white-collar workplace in quite the same way again. The forces couldn't be more different. One force, the theory of complex adaptive systems, has its roots in the radical new sciences of chaos and complexity. The other force, the notion of organizations being learning systems, more like living organisms than 'information factories,' is an outgrowth of the new management thinking of leading organizational theorists like the Claremont Graduate School's Peter Drucker, MIT's Peter Senge, and Hitotsubashi University's Ikujiro Nonaka. Nevertheless, both the new science and the new management thinking seem to point to a similar and perhaps even startling conclusion: the business organization of the 21st century will look nothing like the bureaucratic organizational model that prevails in most companies today, a model that has remained largely unchanged since the manufacturing heydays of 1950s. While the details of the new organization remain sketchy, its rough outline is already beginning to take shape. Rather than simply being flatter through the elimination of layer upon layer of 'middle management,' the new organization is likely to be made up of networks of specialists who will be, for all practical purposes, self-managing. Rather than focusing on issues like re-engineering business processes, a holdover from Taylorism, the focus will be on supporting the continuous learning of an organization's specialists, the sharing of this learning with other specialists, and the embedding of this learning in the organization's physical structure. Finally, rather than viewing themselves as going through relatively long periods of stability punctuated by shorts bursts of 'reorganization,' business enterprises will come to realize that their very survival depends upon their being in a state of continuous organization. The implications of the new organization with respect to how companies approach the planning, design, and management of the technology infrastructure that enables individual learning, self-management, and continuous orgsnization, are both numerous and far-reaching. As part of this technology infrastructure, the white-collar workplace exists in the form it does today as a direct result of management's beliefs about how time, space, and tools ought to be organized and managed in order to accomplish useful intellectual work. Obviously, if these beliefs change radically, as both the new science and the new management thinking suggest is about to happen, then it is almost inevitable that the form and function of the white-collar workplace will change radically, as well. Will there even be a white-collar workplace in the 21st century, in the sense of purpose-built facilities designed to support the co-location of large numbers of white-collar workers? Only time will tell. However, the leading indicators seem to suggest that, as the old saying goes, 'We ain't seen nothin' yet!'
Sutherland, Duncan B., Jr.↗
A Reduced Dimension Static, Linearized Kalman Filter and Smoother
An approximate Kalman filter and smoother, based on approximations of the state estimation error covariance matrix, is described. Approximations include a reduction of the effective state dimension, use of a static asymptotic error limit, and a time-invariant linearization of the dynamic model for error integration. The approximations lead to dramatic computational savings in applying estimation theory to large complex systems. Examples of use come from TOPEX/POSEIDON.
Kalman filter smoother modeling ocean simulation↗
An Approximate Kalman Filter for Ocean Data Assimilation; An Example with an Idealized Gulf Stream Model
A practical method of data assimilation for use with large, nonlinear, ocean general circulation models is explored. A Kalman filter based on approximations of the state error covariance matrix is presented, employing a reduction of the effective model dimension, the error's asymptotic steady-state limit, and a time-invariant linearization of the dynamic model for the error integration. The approximations lead to dramatic computational savings in applying estimation theory to large complex systems. We examine the utility of the approximate filter in assimilating different measurement types using a twin experiment of an idealized Gulf Stream. A nonlinear primitive equation model of an unstable east-west jet is studied with a state dimension exceeding 170,000 elements. Assimilation of various pseudo measurements is examined, including velocity, density, and volume transport at localized arrays, and realistic distributions of satellite altimetry and acoustic tomography observations. Results are compared in terms of their effects on the accuracies of the estimation. The approximate filter is shown to outperform a previous study that used an empirical nudging scheme. The examples demonstrate that useful approximate estimation errors can be computed in a practical manner for general circulation models.
['Kalman↗
GRID2D/3D: A computer program for generating grid systems in complex-shaped two- and three-dimensional spatial domains. Part 1: Theory and method
An efficient computer program, called GRID2D/3D was developed to generate single and composite grid systems within geometrically complex two- and three-dimensional (2- and 3-D) spatial domains that can deform with time. GRID2D/3D generates single grid systems by using algebraic grid generation methods based on transfinite interpolation in which the distribution of grid points within the spatial domain is controlled by stretching functions. All single grid systems generated by GRID2D/3D can have grid lines that are continuous and differentiable everywhere up to the second-order. Also, grid lines can intersect boundaries of the spatial domain orthogonally. GRID2D/3D generates composite grid systems by patching together two or more single grid systems. The patching can be discontinuous or continuous. For continuous composite grid systems, the grid lines are continuous and differentiable everywhere up to the second-order except at interfaces where different single grid systems meet. At interfaces where different single grid systems meet, the grid lines are only differentiable up to the first-order. For 2-D spatial domains, the boundary curves are described by using either cubic or tension spline interpolation. For 3-D spatial domains, the boundary surfaces are described by using either linear Coon's interpolation, bi-hyperbolic spline interpolation, or a new technique referred to as 3-D bi-directional Hermite interpolation. Since grid systems generated by algebraic methods can have grid lines that overlap one another, GRID2D/3D contains a graphics package for evaluating the grid systems generated. With the graphics package, the user can generate grid systems in an interactive manner with the grid generation part of GRID2D/3D. GRID2D/3D is written in FORTRAN 77 and can be run on any IBM PC, XT, or AT compatible computer. In order to use GRID2D/3D on workstations or mainframe computers, some minor modifications must be made in the graphics part of the program; no modifications are needed in the grid generation part of the program. This technical memorandum describes the theory and method used in GRID2D/3D.
Shih, T. I.-P.↗
A Fast Algorithm for Massively Parallel, Long-Term, Simulation of Complex Molecular Dynamics Systems
The advances in theory and computing technology over the last decade have led to enormous progress in applying atomistic molecular dynamics (MD) methods to the characterization, prediction, and design of chemical, biological, and material systems,.
Algorithm Molecular Dynamics Systems Parallel Plat↗
Quantum complexity in gravity, quantum field theory, and quantum information science
Quantum complexity quantifies the difficulty of preparing a state or implementing a unitary transformation with limited resources. Applications range from quantum computation to condensed matter physics and quantum gravity. Here, we seek to bridge the approaches of these fields, which define and study complexity using different frameworks and tools. We describe several definitions of complexity, along with their key properties. In quantum information theory, we focus on complexity growth in random quantum circuits. In quantum many-body systems and quantum field theory (QFT), we discuss a geometric definition of complexity in terms of geodesics on the unitary group. In dynamical systems, we explore a definition of complexity in terms of state or operator spreading, as well as concepts from tensor-networks. We also outline applications to simple quantum systems, quantum many-body models, and QFTs including conformal field theories (CFTs). Finally, we explain the proposed relationship between complexity and gravitational observables within the holographic anti-de Sitter (AdS)/CFT correspondence.
Baiguera, Stefano [Istituto Nazionale di Fisica Nu↗