Three-point bounds for energy minimization

Three-point semidefinite programming bounds are one of the most powerful known tools for bounding the size of spherical codes. In this paper, we use them to prove lower bounds for the potential energy of particles interacting via a pair potential function. We show that our bounds are sharp for seven points in RP^2. Specifically, we prove that the seven lines connecting opposite vertices of a cube and of its dual octahedron are universally optimal. (In other words, among all configurations of seven lines through the origin, this one minimizes energy for all potential functions that are completely monotonic functions of squared chordal distance.) This configuration is the only known universal optimum that is not distance regular, and the last remaining universal optimum in RP^2. We also give a new derivation of semidefinite programming bounds and present several surprising conjectures about them.Comment: 30 page

Computability and Evolutionary Complexity: Markets As Complex Adaptive Systems (CAS)

The purpose of this Feature is to critically examine and to contribute to the burgeoning multi disciplinary literature on markets as complex adaptive systems (CAS). Three economists, Robert Axtell, Steven Durlauf and Arthur Robson who have distinguished themselves as pioneers in different aspects of how the thesis of evolutionary complexity pertains to market environments have contributed to this special issue. Axtell is concerned about the procedural aspects of attaining market equilibria in a decentralized setting and argues that principles on the complexity of feasible computation should rule in or out widely held models such as the Walrasian one. Robson puts forward the hypothesis called the Red Queen principle, well known from evolutionary biology, as a possible explanation for the evolution of complexity itself. Durlauf examines some of the claims that have been made in the name of complex systems theory to see whether these present testable hypothesis for economic models. My overview aims to use the wider literature on complex systems to provide a conceptual framework within which to discuss the issues raised for Economics in the above contributions and elsewhere. In particular, some assessment will be made on the extent to which modern complex systems theory and its application to markets as CAS constitutes a paradigm shift from more mainstream economic analysis

Efficient Variational Inference for Hierarchical Models of Images, Text, and Networks

Variational inference provides a general optimization framework to approximate the posterior distributions of latent variables in probabilistic models. Although effective in simple scenarios, variational inference may be inaccurate or infeasible when the data is high-dimensional, the model structure is complicated, or variable relationships are non-conjugate. We propose solutions to these problems through the smart design and leverage of model structures, the rigorous derivation of variational bounds, and the creation of flexible algorithms for various models with rich, non-conjugate dependencies.Concretely, we first design an interpretable generative model for natural images, in which the hundreds of thousands of pixels per image are split into small patches represented by Gaussian mixture models. Through structured variational inference, the evidence lower bound of this model automatically recovers the popular expected patch log-likelihood method for image processing. A nonparametric extension using hierarchical Dirichlet processes further enables self-similarities to be captured and image-specific clusters created during inference, boosting image denoising and inpainting accuracy.Then we move on to text data, and design hierarchical topic graphs that generalize the bipartite noisy-OR models previously used for medical diagnosis. We derive auxiliary bounds to overcome the non-conjugacy of noisy-OR conditionals, and use stochastic variational inference to efficiently train on datasets with hundreds of thousands of documents. We dramatically increase the algorithm speed through a constrained family of variational bounds, so that only the ancestors of the sparse observed tokens of each document need to be considered.Finally, we propose a general-purpose Monte Carlo variational inference strategy that is directly applicable to any model with discrete variables. Compared to REINFORCE-style stochastic gradient updates, our coordinate-ascent updates have lower variance and converge much faster. Compared to auxiliary-variable bounds crafted for each individual model, our algorithm is simpler to derive and may be easily integrated into probabilistic programming languages for broader use. By avoiding auxiliary variables, we also tighten likelihood bounds and increase robustness to local optima. Extensive experiments on real-world models of images, text, and networks illustrate these appealing advantages

Experimental study of energy-minimizing point configurations on spheres

In this paper we report on massive computer experiments aimed at finding spherical point configurations that minimize potential energy. We present experimental evidence for two new universal optima (consisting of 40 points in 10 dimensions and 64 points in 14 dimensions), as well as evidence that there are no others with at most 64 points. We also describe several other new polytopes, and we present new geometrical descriptions of some of the known universal optima.Comment: 41 pages, 12 figures, to appear in Experimental Mathematic

Global optimisation for dynamic systems using novel overestimation reduction techniques

The optimisation of dynamic systems is of high relevance in chemical engineering as many practical systems can be described by ordinary differential equations (ODEs) or differential algebraic equations (DAEs). The current techniques for solving these problems rigorously to global optimality rely mainly on sequential approaches in which a branch and bound framework is used for solving the global optimisation part of the problem and a verified simulator (in which rounding errors are accounted for in the computations) is used for solving the dynamic constraints. The verified simulation part is the main bottleneck since tight bounds are difficult to obtain for high dimensional dynamic systems. Additionally, uncertainty in the form of, for example, intervals is introduced in the parameters of the dynamic constraints which are also the decision variables of the optimisation problem. Nevertheless, in the verified simulation the accumulation of trajectories that do not belong to the exact solution (overestimation) makes the state bounds overconservative and in the worst case they blow up and tend towards ±∞. In this thesis, methods for verified simulation in global optimisation for dynamic systems were investigated. A novel algorithm that uses an interval Taylor series (ITS) method with enhanced overestimation reduction capabilities was developed. These enhancements for the reduction of the overestimation rely on interval contractors (Krawczyk, Newton, ForwardBackward) and model reformulation based on pattern substitution and input scaling. The method with interval contractors was also extended to Taylor Models (TM) for comparison purposes. The two algorithms were tested on several case studies to demonstrate the effectiveness of the methods. The case studies have a different number of state variables and system parameters and they use uncertain amounts in some of the system parameters and initial conditions. Both of the methods were also used in a sequential approach to address the global optimisation for dynamic systems problem subject to uncertainty. The simulation results demonstrated that the ITS method with overestimation reduction techniques provided tighter state bounds with less computational expense than the traditional method. In the case of the forward-backward contractor additional constraints can be introduced that can potentially contribute significantly to the reduction of the overestimation. Similarly, the novel TM method with enhanced overestimation reduction capabilities provided tighter bounds than the TM method alone. On the other hand, the optimisation results showed that the global optimisation algorithm with the novel ITS method with overestimation reduction techniques converged faster to a rigorous solution due to the improved state bounds

Global Optimisation for Dynamic Systems using Interval Analysis

Engineers seek optimal solutions when designing dynamic systems but a crucial element is to ensure bounded performance over time. Finding a globally optimal bounded trajectory requires the solution of the ordinary differential equation (ODE) systems in a verified way. To date these methods are only able to address low dimensional problems and for larger systems are unable to prevent gross overestimation of the bounds. In this paper we show how interval contractors can be used to obtain tightly bounded optima. A verified solver constructs tight upper and lower bounds on the dynamic variables using contractors for initial value problems (IVP) for ODEs within a global optimisation method. The solver provides guaranteed bound on the objective function and on the first order sensitivity equations in a branch and bound framework. The method is compared with three previously published methods on three examples from process engineering

Resonances and Fundamental Bounds in Wave Scattering

In this thesis, we develop a framework for analyzing light-matter interaction by resonances, explore power concentration limits in wave scattering, and discover fundamental bounds of quantum state controls via pulse engineering. We use quasinormal modes to develop an exact, ab initio generalized coupled-mode theory from Maxwell’s equations. This quasinormal coupled-mode theory, which we de- note “QCMT”, enables a direct, mode-based construction of scattering matrices without resorting to external solvers or data. We consider canonical scattering bodies, for which we show that a conventional coupled-mode theory model will necessarily be highly inaccurate, whereas QCMT exhibits near-perfect accuracy. We generalize classical brightness theorem to wave scattering, showing that power per scattering channel generalizes brightness, and obtaining power-concentration bounds for systems of arbitrary coherence for general linear wave scattering. The bounds motivate a concept of “wave ́etendue” as a measure of incoherence among the scattering-channel amplitudes and which is given by the rank of an appropriate density matrix. The bounds apply to nonreciprocal systems that are of increasing interest, and we demonstrate their applicability to maximal control in nanophotonics, for metasurfaces and waveguide junctions. Through inverse design, we discover metasurface elements operating near the theoretical limits. We show that an integral-equation-based formulation of conservation laws in quantum dynamics leads to a systematic framework for identifying fundamental limits to any quantum control scenario. We demonstrate the utility of our bounds in three scenarios – three-level driving, decoherence suppression, and maximum-fidelity gate implementations – and show that in each case our bounds are tight or nearly so. Global bounds complement local- optimization-based designs, illuminating performance levels that may be possible as well as those that cannot be surpassed