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We consider the influence maximization problem (IMP) which asks for identifying a limited number of key individuals to spread influence in a network such that the expected number of influenced individuals is maximized. The stochastic maximal covering location problem (SMCLP) formulation is a mixed integer programming formulation that effectively approximates the IMP by the Monte-Carlo sampling. For IMPs with a large-scale network or a large number of samplings, however, the SMCLP formulation cannot be efficiently solved by existing exact algorithms due to its large problem size. In this paper, we attempt to develop presolving methods to reduce the problem size and hence enhance the capability of employing exact algorithms in solving large-scale IMPs. In particular, we propose two effective presolving methods, called strongly connected nodes aggregation (SCNA) and isomorphic nodes aggregation (INA), respectively. The SCNA enables to build a new SMCLP formulation that is potentially much more compact than the existing one, and the INA further eliminates variables and constraints in the SMCLP formulation. A theoretical analysis on two special cases of the IMP is provided to demonstrate the strength of the SCNA and INA in reducing the problem size of the SMCLP formulation. We integrate the proposed presolving methods, SCNA and INA, into the Benders decomposition algorithm, which is recognized as one of the state-of-the-art exact algorithms for solving the IMP. We show that the proposed SCNA and INA provide the possibility to develop a much faster separation algorithm for the Benders cuts. Numerical results demonstrate that with the SCNA and INA, the Benders decomposition algorithm is much more effective in solving the IMP in terms of solution time., Comment: 35 pages, 2 figures, accepted for publication in Networks

In this work, we put forward the theoretical foundation toward thermodynamics of quantum impurity systems measurable in experiments. The theoretical developments involve the identifications on two types of thermodynamic entanglement free--energy spectral functions for impurity systems that can be either fermionic or bosonic or combined. Consider further the thermodynamic limit in which the hybrid environments satisfy the Gaussian--Wick's theorem. We then relate the thermodynamic spectral functions to the local quantum impurity systems spectral densities that are often experimentally measurable. Another type of inputs is the bare--bath coupling spectral densities, which could be accurately determined with various methods. Similar relation is also established for the nonentanglement component that exists only in anharmonic bosonic impurity systems. For illustration, we consider the simplest noninteracting systems, with focus on the strikingly different characteristics between the bosonic and fermionic scenarios., Comment: 14 pages, 3 figures

This work presents a unified dissipaton-equation-of-motion (DEOM) theory and its evaluations on the Helmholtz free energy change due to the isotherm mixing of two isolated subsystems. One is a local impurity and another is a nonlocal Gaussian bath. DEOM constitutes a fundamental theory for such open quantum mixtures. To complete the theory, we construct also the imaginary-time DEOM formalism via an analytical continuation of dissipaton algebra, which would be limited to equilibrium thermodynamics. On the other hand, the real-time DEOM deals with both equilibrium structural and nonequilibrium dynamic properties. Its combination with the thermodynamic integral formalism would be a viable and accurate means to both equilibrium and transient thermodynamics. As illustrations, we report the numerical results on a spin--boson system, with elaborations on the underlying anharmonic features, the thermodynamic entropy versus the von Neumann entropy, and an indication of "solvent-cage" formation. Beside the required asymptotic equilibrium properties, the proposed transient thermodynamics also supports the basic spontaneity criterion., Comment: 10 pages, 2 figures

In this work, we establish a so-called "system-bath entanglement theorem", for arbitrary systems coupled with Gaussian environments. This theorem connects the entangled system-bath response functions in the total composite space to those of local systems, as long as the interacting bath spectral densities are given. We validate the theorem with the direct evaluation via the exact dissipaton-equation-of-motion approach. Therefore, this work enables various quantum dissipation theories, which originally describe only the reduced system dynamics, for their evaluations on the system-bath entanglement properties. Numerical demonstrations are carried out on the Fano interference spectroscopies of spin-boson systems., Comment: 6 pages, 2 figures

In this work, we study the effects of non-Condon vibronic coupling on the quantum coherence of excitation energy transfer, via the exact dissipaton-equation-of-motion (DEOM) evaluations on excitonic model systems. Field-triggered excitation energy transfer dynamics and two dimensional coherent spectroscopy are simulated for both Condon and non-Condon vibronic couplings. Our results clearly demonstrate that the non-Condon vibronic coupling intensifies the dynamical electronic-vibrational energy transfer and enhances the total system-and-bath quantum coherence. Moreover, the hybrid bath dynamics for non-Condon effects enriches the theoretical calculation, and further sheds light on the interpretation of the experimental nonlinear spectroscopy.

In this work we construct a novel dissipaton-equation-of-motion (DEOM) theory in quadratic bath coupling environment, based an extended algebraic statistical quasi-particle approach. To validate the new ingredient of the underlying dissipaton algebra, we derive an extended Zusman equation via a totally different approach. We prove that the new theory, if it starts with the identical setup, constitutes the dynamical resolutions to the extended Zusman equation. Thus, we verify the generalized (non-Gaussian) Wick's theorem with dissipatons-pair added. This new algebraic ingredient enables the dissipaton approach being naturally extended to nonlinear coupling environments. Moreover, it is noticed that, unlike the linear bath coupling case, the influence of a non-Gaussian environment cannot be completely characterized with the linear response theory. The new theory has to take this fact into account. The developed DEOM theory manifests the dynamical interplay between dissipatons and nonlinear bath coupling descriptors that will be specified. Numerical demonstrations will be given with the optical line shapes in quadratic coupling environment.

We propose a quasi-particle description for the hierarchical equations of motion formalism for quantum dissipative dynamics systems. Not only it provides an alternative mathematical means to the existing formalism, the new protocol clarifies also explicitly the physical meanings of the auxiliary density operators and their relations to full statistics on solvation bath variables. Combining with the standard linear response theory, we construct further the hierarchical dynamics formalism for correlated spectrum of system--bath coherence. We evaluate the spectrum matrix for a demonstrative spin-boson system-bath model. While the individual diagonal element of the spectrum matrix describes the system or the solvation bath correlation, the off-diagonal elements characterize the correlation between system and bath solvation dynamics., Comment: 4 pages, 2 figures, submitted to J. Chem. Phys