Numerical computation of rare events via large deviation theory

An overview of rare events algorithms based on large deviation theory (LDT) is presented. It covers a range of numerical schemes to compute the large deviation minimizer in various setups, and discusses best practices, common pitfalls, and implementation trade-offs. Generalizations, extensions, and improvements of the minimum action methods are proposed. These algorithms are tested on example problems which illustrate several common difficulties which arise e.g. when the forcing is degenerate or multiplicative, or the systems are infinite-dimensional. Generalizations to processes driven by non-Gaussian noises or random initial data and parameters are also discussed, along with the connection between the LDT-based approach reviewed here and other methods, such as stochastic field theory and optimal control. Finally, the integration of this approach in importance sampling methods using e.g. genealogical algorithms is explored

Generalized Shortest Path Kernel on Graphs

We consider the problem of classifying graphs using graph kernels. We define a new graph kernel, called the generalized shortest path kernel, based on the number and length of shortest paths between nodes. For our example classification problem, we consider the task of classifying random graphs from two well-known families, by the number of clusters they contain. We verify empirically that the generalized shortest path kernel outperforms the original shortest path kernel on a number of datasets. We give a theoretical analysis for explaining our experimental results. In particular, we estimate distributions of the expected feature vectors for the shortest path kernel and the generalized shortest path kernel, and we show some evidence explaining why our graph kernel outperforms the shortest path kernel for our graph classification problem.Comment: Short version presented at Discovery Science 2015 in Banf

Non-meanfield deterministic limits in chemical reaction kinetics far from equilibrium

A general mechanism is proposed by which small intrinsic fluctuations in a system far from equilibrium can result in nearly deterministic dynamical behaviors which are markedly distinct from those realized in the meanfield limit. The mechanism is demonstrated for the kinetic Monte-Carlo version of the Schnakenberg reaction where we identified a scaling limit in which the global deterministic bifurcation picture is fundamentally altered by fluctuations. Numerical simulations of the model are found to be in quantitative agreement with theoretical predictions.Comment: 4 pages, 4 figures (submitted to Phys. Rev. Lett.

Spectral Sparsification and Regret Minimization Beyond Matrix Multiplicative Updates

In this paper, we provide a novel construction of the linear-sized spectral sparsifiers of Batson, Spielman and Srivastava [BSS14]. While previous constructions required $\Omega(n^4)$ running time [BSS14, Zou12], our sparsification routine can be implemented in almost-quadratic running time $O(n^{2+\varepsilon})$. The fundamental conceptual novelty of our work is the leveraging of a strong connection between sparsification and a regret minimization problem over density matrices. This connection was known to provide an interpretation of the randomized sparsifiers of Spielman and Srivastava [SS11] via the application of matrix multiplicative weight updates (MWU) [CHS11, Vis14]. In this paper, we explain how matrix MWU naturally arises as an instance of the Follow-the-Regularized-Leader framework and generalize this approach to yield a larger class of updates. This new class allows us to accelerate the construction of linear-sized spectral sparsifiers, and give novel insights on the motivation behind Batson, Spielman and Srivastava [BSS14]

New results in rho^0 meson physics

We compare the predictions of a range of existing models based on the Vector Meson Dominance hypothesis with data on e^+ e^- -> pi^+ pi^$ and e^+ e^- -> mu^+ mu^- cross-sections and the phase and near-threshold behavior of the timelike pion form factor, with the aim of determining which (if any) of these models is capable of providing an accurate representation of the full range of experimental data. We find that, of the models considered, only that proposed by Bando et al. is able to consistently account for all information, provided one allows its parameter "a" to vary from the usual value of 2 to 2.4. Our fit with this model gives a point-like coupling (gamma pi^+ \pi^-) of magnitude ~ -e/6, while the common formulation of VMD excludes such a term. The resulting values for the rho mass and pi^+ pi^- and e^+e^- partial widths as well as the branching ratio for the decay omega -> pi^+ pi^- obtained within the context of this model are consistent with previous results.Comment: 34 pages with 7 figures. Published version also available at http://link.springer.de/link/service/journals/10052/tocs/t8002002.ht

The Computational Power of Optimization in Online Learning

We consider the fundamental problem of prediction with expert advice where the experts are "optimizable": there is a black-box optimization oracle that can be used to compute, in constant time, the leading expert in retrospect at any point in time. In this setting, we give a novel online algorithm that attains vanishing regret with respect to $N$ experts in total $\widetilde{O}(\sqrt{N})$ computation time. We also give a lower bound showing that this running time cannot be improved (up to log factors) in the oracle model, thereby exhibiting a quadratic speedup as compared to the standard, oracle-free setting where the required time for vanishing regret is $\widetilde{\Theta}(N)$. These results demonstrate an exponential gap between the power of optimization in online learning and its power in statistical learning: in the latter, an optimization oracle---i.e., an efficient empirical risk minimizer---allows to learn a finite hypothesis class of size $N$ in time $O(\log{N})$. We also study the implications of our results to learning in repeated zero-sum games, in a setting where the players have access to oracles that compute, in constant time, their best-response to any mixed strategy of their opponent. We show that the runtime required for approximating the minimax value of the game in this setting is $\widetilde{\Theta}(\sqrt{N})$, yielding again a quadratic improvement upon the oracle-free setting, where $\widetilde{\Theta}(N)$ is known to be tight

Premise Selection for Mathematics by Corpus Analysis and Kernel Methods

Smart premise selection is essential when using automated reasoning as a tool for large-theory formal proof development. A good method for premise selection in complex mathematical libraries is the application of machine learning to large corpora of proofs. This work develops learning-based premise selection in two ways. First, a newly available minimal dependency analysis of existing high-level formal mathematical proofs is used to build a large knowledge base of proof dependencies, providing precise data for ATP-based re-verification and for training premise selection algorithms. Second, a new machine learning algorithm for premise selection based on kernel methods is proposed and implemented. To evaluate the impact of both techniques, a benchmark consisting of 2078 large-theory mathematical problems is constructed,extending the older MPTP Challenge benchmark. The combined effect of the techniques results in a 50% improvement on the benchmark over the Vampire/SInE state-of-the-art system for automated reasoning in large theories.Comment: 26 page