Unifying approach for fluctuation theorems from joint probability distributions

Any decomposition of the total trajectory entropy production for Markovian systems has a joint probability distribution satisfying a generalized detailed fluctuation theorem, when all the contributing terms are odd with respect to time reversal. The expression of the result does not bring into play dual probability distributions, hence easing potential applications. We show that several fluctuation theorems for perturbed non-equilibrium steady states are unified and arise as particular cases of this general result. In particular, we show that the joint probability distribution of the system and reservoir trajectory entropies satisfy a detailed fluctuation theorem valid for all times although each contribution does not do it separately

Density functional approaches for the interaction of metal oxides with small molecules

The density functional tight-binding (DFTB) and time-dependent DFTB (TD-DFTB) methods are here extended. The incorporation of one-center exchange-like terms in the expansion of multicenter integrals leads to a DFTB scheme in which the fluctuation of the dual density matrix is treated self-consistently. This formalism improves upon hydrogen bond energies of neutral, protonated and hydroxide water clusters as well as of methylimidazole-water complexes. An analogous correction for TD-DFTB leads to marked qualitative and quantitative improvements over the original method. These formalisms are employed to investigate the structural and optical properties of titanium dioxide complexed with nitric oxide and acetaldehyde. Additionally, density functional theory (DFT) and DFTB are employed to investigate the structural and electronic properties of the interfaces between zinc oxide and several organic molecules

Differentially Private Distributed Optimization

In distributed optimization and iterative consensus literature, a standard problem is for $N$ agents to minimize a function $f$ over a subset of Euclidean space, where the cost function is expressed as a sum $\sum f_i$. In this paper, we study the private distributed optimization (PDOP) problem with the additional requirement that the cost function of the individual agents should remain differentially private. The adversary attempts to infer information about the private cost functions from the messages that the agents exchange. Achieving differential privacy requires that any change of an individual's cost function only results in unsubstantial changes in the statistics of the messages. We propose a class of iterative algorithms for solving PDOP, which achieves differential privacy and convergence to the optimal value. Our analysis reveals the dependence of the achieved accuracy and the privacy levels on the the parameters of the algorithm. We observe that to achieve $\epsilon$-differential privacy the accuracy of the algorithm has the order of $O(\frac{1}{\epsilon^2})$

An Optimal and Distributed Method for Voltage Regulation in Power Distribution Systems

This paper addresses the problem of voltage regulation in power distribution networks with deep-penetration of distributed energy resources, e.g., renewable-based generation, and storage-capable loads such as plug-in hybrid electric vehicles. We cast the problem as an optimization program, where the objective is to minimize the losses in the network subject to constraints on bus voltage magnitudes, limits on active and reactive power injections, transmission line thermal limits and losses. We provide sufficient conditions under which the optimization problem can be solved via its convex relaxation. Using data from existing networks, we show that these sufficient conditions are expected to be satisfied by most networks. We also provide an efficient distributed algorithm to solve the problem. The algorithm adheres to a communication topology described by a graph that is the same as the graph that describes the electrical network topology. We illustrate the operation of the algorithm, including its robustness against communication link failures, through several case studies involving 5-, 34-, and 123-bus power distribution systems.Comment: To Appear in IEEE Transaction on Power System