Maximum Margin Clustering for State Decomposition of Metastable Systems

When studying a metastable dynamical system, a prime concern is how to decompose the phase space into a set of metastable states. Unfortunately, the metastable state decomposition based on simulation or experimental data is still a challenge. The most popular and simplest approach is geometric clustering which is developed based on the classical clustering technique. However, the prerequisites of this approach are: (1) data are obtained from simulations or experiments which are in global equilibrium and (2) the coordinate system is appropriately selected. Recently, the kinetic clustering approach based on phase space discretization and transition probability estimation has drawn much attention due to its applicability to more general cases, but the choice of discretization policy is a difficult task. In this paper, a new decomposition method designated as maximum margin metastable clustering is proposed, which converts the problem of metastable state decomposition to a semi-supervised learning problem so that the large margin technique can be utilized to search for the optimal decomposition without phase space discretization. Moreover, several simulation examples are given to illustrate the effectiveness of the proposed method

Stochastic Combinatorial Optimization via Poisson Approximation

We study several stochastic combinatorial problems, including the expected utility maximization problem, the stochastic knapsack problem and the stochastic bin packing problem. A common technical challenge in these problems is to optimize some function of the sum of a set of random variables. The difficulty is mainly due to the fact that the probability distribution of the sum is the convolution of a set of distributions, which is not an easy objective function to work with. To tackle this difficulty, we introduce the Poisson approximation technique. The technique is based on the Poisson approximation theorem discovered by Le Cam, which enables us to approximate the distribution of the sum of a set of random variables using a compound Poisson distribution. We first study the expected utility maximization problem introduced recently [Li and Despande, FOCS11]. For monotone and Lipschitz utility functions, we obtain an additive PTAS if there is a multidimensional PTAS for the multi-objective version of the problem, strictly generalizing the previous result. For the stochastic bin packing problem (introduced in [Kleinberg, Rabani and Tardos, STOC97]), we show there is a polynomial time algorithm which uses at most the optimal number of bins, if we relax the size of each bin and the overflow probability by eps. For stochastic knapsack, we show a 1+eps-approximation using eps extra capacity, even when the size and reward of each item may be correlated and cancelations of items are allowed. This generalizes the previous work [Balghat, Goel and Khanna, SODA11] for the case without correlation and cancelation. Our algorithm is also simpler. We also present a factor 2+eps approximation algorithm for stochastic knapsack with cancelations. the current known approximation factor of 8 [Gupta, Krishnaswamy, Molinaro and Ravi, FOCS11].Comment: 42 pages, 1 figure, Preliminary version appears in the Proceeding of the 45th ACM Symposium on the Theory of Computing (STOC13

Discretized Multinomial Distributions and Nash Equilibria in Anonymous Games

We show that there is a polynomial-time approximation scheme for computing Nash equilibria in anonymous games with any fixed number of strategies (a very broad and important class of games), extending the two-strategy result of Daskalakis and Papadimitriou 2007. The approximation guarantee follows from a probabilistic result of more general interest: The distribution of the sum of n independent unit vectors with values ranging over {e1, e2, ...,ek}, where ei is the unit vector along dimension i of the k-dimensional Euclidean space, can be approximated by the distribution of the sum of another set of independent unit vectors whose probabilities of obtaining each value are multiples of 1/z for some integer z, and so that the variational distance of the two distributions is at most eps, where eps is bounded by an inverse polynomial in z and a function of k, but with no dependence on n. Our probabilistic result specifies the construction of a surprisingly sparse eps-cover -- under the total variation distance -- of the set of distributions of sums of independent unit vectors, which is of interest on its own right.Comment: In the 49th Annual IEEE Symposium on Foundations of Computer Science, FOCS 200

Discretizing Continuous Action Space for On-Policy Optimization

In this work, we show that discretizing action space for continuous control is a simple yet powerful technique for on-policy optimization. The explosion in the number of discrete actions can be efficiently addressed by a policy with factorized distribution across action dimensions. We show that the discrete policy achieves significant performance gains with state-of-the-art on-policy optimization algorithms (PPO, TRPO, ACKTR) especially on high-dimensional tasks with complex dynamics. Additionally, we show that an ordinal parameterization of the discrete distribution can introduce the inductive bias that encodes the natural ordering between discrete actions. This ordinal architecture further significantly improves the performance of PPO/TRPO.Comment: Accepted at AAAI Conference on Artificial Intelligence (2020) in New York, NY, USA. An open source implementation can be found at https://github.com/robintyh1/onpolicybaseline

Discrete conservation properties for shallow water flows using mixed mimetic spectral elements

A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of calculus with respect to the standard Lagrange basis functions in one dimension. These are used to construct tensor product solution spaces which satisfy the generalized Stokes theorem, as well as the annihilation of the gradient operator by the curl and the curl by the divergence. This allows for the exact conservation of first order moments (mass, vorticity), as well as quadratic moments (energy, potential enstrophy), subject to the truncation error of the time stepping scheme. The continuity equation is solved in the strong form, such that mass conservation holds point wise, while the momentum equation is solved in the weak form such that vorticity is globally conserved. While mass, vorticity and energy conservation hold for any quadrature rule, potential enstrophy conservation is dependent on exact spatial integration. The method possesses a weak form statement of geostrophic balance due to the compatible nature of the solution spaces and arbitrarily high order spatial error convergence