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1. Green function estimates on complements of low-dimensional uniformly rectifiable sets

   https://doi.org/10.1007/s00208-022-02379-8  

   David, Guy ; Feneuil, Joseph ; Mayboroda, Svitlana ( March 2022 , Mathematische Annalen)

   It has been recently established in David and Mayboroda (Approximation of green functions and domains with uniformly rectifiable boundaries of all dimensions.arXiv:2010.09793) that on uniformly rectifiable sets the Green function is almost affine in the weak sense, and moreover, in some scenarios such Green function estimates are equivalent to the uniform rectifiability of a set. The present paper tackles a strong analogue of these results, starting with the “flagship degenerate operators on sets with lower dimensional boundaries. We consider the elliptic operators$$L_{\beta ,\gamma } =- {\text {div}}D^{d+1+\gamma -n} \nabla $$$L_{\beta ,\gamma }=-\text{div}{D}^{d+1+\gamma -n}\nabla$associated to a domain$$\Omega \subset {\mathbb {R}}^n$$$\Omega \subset R^n$with a uniformly rectifiable boundary$$\Gamma $$$\Gamma$of dimension$$d < n-1$$$d<n-1$, the now usual distance to the boundary$$D = D_\beta $$$D=D_{\beta }$given by$$D_\beta (X)^{-\beta } = \int _{\Gamma } |X-y|^{-d-\beta } d\sigma (y)$$$D_{\beta }{\left(X\right)}^{-\beta }={\int }_{\Gamma }{|X-y|}^{-d-\beta }d\sigma \left(y\right)$for$$X \in \Omega $$$X\in \Omega$, where$$\beta >0$$$\beta >0$and$$\gamma \in (-1,1)$$$\gamma \in (-1,1)$. In this paper we show that the Green functionGfor$$L_{\beta ,\gamma }$$$L_{\beta ,\gamma }$, with pole at infinity, is well approximated by multiples of$$D^{1-\gamma }$$$D^{1-\gamma }$, in the sense that the function$$\big | D\nabla \big (\ln \big ( \frac{G}{D^{1-\gamma }} \big )\big )\big |^2$$$|D\nabla (ln(\frac{G}{D^{1-\gamma }})){|}^2$satisfies a Carleson measure estimate on$$\Omega $$$\Omega$. We underline that the strong and the weak results are different in nature and, of course, at the levelmore »of the proofs: the latter extensively used compactness arguments, while the present paper relies on some intricate integration by parts and the properties of the “magical distance function from David et al. (Duke Math J, to appear).

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2. Stochastic dual dynamic programming for multistage stochastic mixed-integer nonlinear optimization

   https://doi.org/10.1007/s10107-022-01875-8  

   Zhang, Shixuan ; Sun, Xu Andy ( August 2022 , Mathematical Programming)

   In this paper, we study multistage stochastic mixed-integer nonlinear programs (MS-MINLP). This general class of problems encompasses, as important special cases, multistage stochastic convex optimization withnon-Lipschitzianvalue functions and multistage stochastic mixed-integer linear optimization. We develop stochastic dual dynamic programming (SDDP) type algorithms with nested decomposition, deterministic sampling, and stochastic sampling. The key ingredient is a new type of cuts based on generalized conjugacy. Several interesting classes of MS-MINLP are identified, where the new algorithms are guaranteed to obtain the global optimum without the assumption of complete recourse. This significantly generalizes the classic SDDP algorithms. We also characterize the iteration complexity of the proposed algorithms. In particular, for a$$(T+1)$$$(T+1)$-stage stochastic MINLP satisfyingL-exact Lipschitz regularization withd-dimensional state spaces, to obtain an$$\varepsilon $$$\epsilon$-optimal root node solution, we prove that the number of iterations of the proposed deterministic sampling algorithm is upper bounded by$${\mathcal {O}}((\frac{2LT}{\varepsilon })^d)$$$O\left({\left(\frac{2LT}{\epsilon }\right)}^d\right)$, and is lower bounded by$${\mathcal {O}}((\frac{LT}{4\varepsilon })^d)$$$O\left({\left(\frac{\mathrm{LT}}{4\epsilon }\right)}^d\right)$for the general case or by$${\mathcal {O}}((\frac{LT}{8\varepsilon })^{d/2-1})$$$O\left({\left(\frac{\mathrm{LT}}{8\epsilon }\right)}^{d/2-1}\right)$for the convex case. This shows that the obtained complexity bounds are rather sharp. It also reveals that the iteration complexity dependspolynomiallyon the number of stages. We further show that the iteration complexity dependslinearlyonT, if all the state spaces are finite sets, or ifmore »we seek a$$(T\varepsilon )$$$\left(T\epsilon \right)$-optimal solution when the state spaces are infinite sets, i.e. allowing the optimality gap to scale withT. To the best of our knowledge, this is the first work that reports global optimization algorithms as well as iteration complexity results for solving such a large class of multistage stochastic programs. The iteration complexity study resolves a conjecture by the late Prof. Shabbir Ahmed in the general setting of multistage stochastic mixed-integer optimization.

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3. The hyperbolic Anderson model: moment estimates of the Malliavin derivatives and applications

   https://doi.org/10.1007/s40072-021-00227-5  

   Balan, Raluca M. ; Nualart, David ; Quer-Sardanyons, Lluís ; Zheng, Guangqu ( January 2022 , Stochastics and Partial Differential Equations: Analysis and Computations)

   In this article, we study the hyperbolic Anderson model driven by a space-timecoloredGaussian homogeneous noise with spatial dimension$$d=1,2$$$d=1,2$. Under mild assumptions, we provide$$L^p$$$L^p$-estimates of the iterated Malliavin derivative of the solution in terms of the fundamental solution of the wave solution. To achieve this goal, we rely heavily on theWiener chaos expansionof the solution. Our first application arequantitative central limit theoremsfor spatial averages of the solution to the hyperbolic Anderson model, where the rates of convergence are described by the total variation distance. These quantitative results have been elusive so far due to the temporal correlation of the noise blocking us from using the Itô calculus. Anovelingredient to overcome this difficulty is thesecond-order Gaussian Poincaré inequalitycoupled with the application of the aforementioned$$L^p$$$L^p$-estimates of the first two Malliavin derivatives. Besides, we provide the corresponding functional central limit theorems. As a second application, we establish the absolute continuity of the law for the hyperbolic Anderson model. The$$L^p$$$L^p$-estimates of Malliavin derivatives are crucial ingredients to verify a local version of Bouleau-Hirsch criterion for absolute continuity. Our approach substantially simplifies the arguments for the one-dimensional case, which has been studied in the recent work by [2].
4. Identifying a stochastic clock network with light entrainment for single cells of Neurospora crassa

   https://doi.org/10.1038/s41598-020-72213-1  

   Caranica, C. ; Al-Omari, A. ; Schüttler, H. -B. ; Arnold, J. ( September 2020 , Scientific Reports)

   Stochastic networks for the clock were identified by ensemble methods using genetic algorithms that captured the amplitude and period variation in single cell oscillators ofNeurosporacrassa. The genetic algorithms were at least an order of magnitude faster than ensemble methods using parallel tempering and appeared to provide a globally optimum solution from a random start in the initial guess of model parameters (i.e., rate constants and initial counts of molecules in a cell). The resulting goodness of fit$${x}^{2}$$$x^2$was roughly halved versus solutions produced by ensemble methods using parallel tempering, and the resulting$${x}^{2}$$$x^2$per data point was only$${\chi }^{2}/n$$${\chi }^2/n$= 2,708.05/953 = 2.84. The fitted model ensemble was robust to variation in proxies for “cell size”. The fitted neutral models without cellular communication between single cells isolated by microfluidics provided evidence for onlyoneStochastic Resonance at one common level of stochastic intracellular noise across days from 6 to 36 h of light/dark (L/D) or in a D/D experiment. When the light-driven phase synchronization was strong as measured by the Kuramoto (K), there was degradation in the single cell oscillations away from the stochastic resonance. The rate constants for the stochastic clock network are consistent with those determined on a macroscopic scale of 10⁷cells.
5. Evidence of a liquid–liquid phase transition in H$$_2$$O and D$$_2$$O from path-integral molecular dynamics simulations

   https://doi.org/10.1038/s41598-022-09525-x  

   Eltareb, Ali ; Lopez, Gustavo E. ; Giovambattista, Nicolas ( April 2022 , Scientific Reports)

   We perform path-integral molecular dynamics (PIMD), ring-polymer MD (RPMD), and classical MD simulations of H$$_2$$${}_2$O and D$$_2$$${}_2$O using the q-TIP4P/F water model over a wide range of temperatures and pressures. The density$$\rho (T)$$$\rho \left(T\right)$, isothermal compressibility$$\kappa _T(T)$$${\kappa }_T\left(T\right)$, and self-diffusion coefficientsD(T) of H$$_2$$${}_2$O and D$$_2$$${}_2$O are in excellent agreement with available experimental data; the isobaric heat capacity$$C_P(T)$$$C_P\left(T\right)$obtained from PIMD and MD simulations agree qualitatively well with the experiments. Some of these thermodynamic properties exhibit anomalous maxima upon isobaric cooling, consistent with recent experiments and with the possibility that H$$_2$$${}_2$O and D$$_2$$${}_2$O exhibit a liquid-liquid critical point (LLCP) at low temperatures and positive pressures. The data from PIMD/MD for H$$_2$$${}_2$O and D$$_2$$${}_2$O can be fitted remarkably well using the Two-State-Equation-of-State (TSEOS). Using the TSEOS, we estimate that the LLCP for q-TIP4P/F H$$_2$$${}_2$O, from PIMD simulations, is located at$$P_c = 167 \pm 9$$$P_c=167\pm 9$ MPa,$$T_c = 159 \pm 6$$$T_c=159\pm 6$ K, and$$\rho _c = 1.02 \pm 0.01$$${\rho }_c=1.02\pm 0.01$ g/cm$$^3$$${}^3$. Isotope substitution effects are important; the LLCP location in q-TIP4P/F D$$_2$$${}_2$O is estimated to be$$P_c = 176 \pm 4$$$P_c=176\pm 4$ MPa,$$T_c = 177 \pm 2$$$T_c=177\pm 2$ K, and$$\rho _c = 1.13 \pm 0.01$$${\rho }_c=1.13\pm 0.01$ g/cm$$^3$$${}^3$. Interestingly, for the water model studied, differences in the LLCP location from PIMD and MD simulations suggest that nuclear quantum effectsmore »(i.e., atoms delocalization) play an important role in the thermodynamics of water around the LLCP (from the MD simulations of q-TIP4P/F water,$$P_c = 203 \pm 4$$$P_c=203\pm 4$ MPa,$$T_c = 175 \pm 2$$$T_c=175\pm 2$ K, and$$\rho _c = 1.03 \pm 0.01$$${\rho }_c=1.03\pm 0.01$ g/cm$$^3$$${}^3$). Overall, our results strongly support the LLPT scenario to explain water anomalous behavior, independently of the fundamental differences between classical MD and PIMD techniques. The reported values of$$T_c$$$T_c$for D$$_2$$${}_2$O and, particularly, H$$_2$$${}_2$O suggest that improved water models are needed for the study of supercooled water.

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