Extrapolative Analysis of Fast-Switching Free Energy Estimates in a Molecular System [PDF]
We perform an extrapolative analysis of "fast-growth" free-energy-difference (DF) estimates of a computer-modeled, fully-solvated ethane<->methanol transformation. The results suggest that extrapolation can greatly reduce the systematic error in DF estimated from a small number of very fast switches.
arxiv
Random Polygons and Estimations of π
In this paper, we study the approximation of π through the semiperimeter or area of a random n-sided polygon inscribed in a unit circle in ℝ2. We show that, with probability 1, the approximation error goes to 0 as n → ∞, and is roughly sextupled when ...
Xu Wen-Qing, Meng Linlin, Li Yong
doaj +1 more source
Closed‐Loop Recyclable High‐Performance Aerogels Derived from Polystyrene
Upcycling of commercial polystyrene waste into closed‐loop recyclable high‐performance aerogels is presented. These PSAs are made from aminated PS waste using a dialdehyde crosslinker. The PSAs are highly porous, thermally superinsulating, and intrinsically hydrophobic.
Yufei Xiong+3 more
wiley +1 more source
Extrapolation and weighted norm inequalities in the variable Lebesgue spaces [PDF]
We extend the theory of Rubio de Francia extrapolation, including off-diagonal, limited range, and $A_{\infty}$ extrapolation, to the weighted variable Lebesgue spaces. As a consequence we are able to show that a number of different operators from harmonic analysis are bounded on these spaces.
arxiv
Theoretical Establishment of W. Struve's Empirical Formulae for Errors of Extrapolated and Interpolated Corrections of Clocks or Chronometers due to the Accidental Variations in their Daily Rates [PDF]
N. Liapin
openalex +1 more source
Highlighting the importance of anode microstructure for alkaline OER, ultrasonic spray coating is applied at two different temperatures. This proof‐of‐concept approach yielded varied morphologies, structures, wettability and mechanical strength. These variations led to noticeable performance changes in activity after 8 h of measurements, comparing the ...
Adarsh Jain+11 more
wiley +1 more source
On the Convergence of (Stochastic) Gradient Descent with Extrapolation for Non-Convex Optimization [PDF]
Extrapolation is a well-known technique for solving convex optimization and variational inequalities and recently attracts some attention for non-convex optimization. Several recent works have empirically shown its success in some machine learning tasks. However, it has not been analyzed for non-convex minimization and there still remains a gap between
arxiv
Up-to-date probabilistic temperature climatologies
With ongoing global warming, climatologies based on average past temperatures are increasingly recognized as imperfect guides for current conditions, yet there is no consensus on alternatives.
Nir Y Krakauer, Naresh Devineni
doaj +1 more source
This study presents an electronic fine‐tuning (EFT) strategy to optimize the electronic structures of Ru species and single‐atom Zn sites by the virtue of layered nanosheets, significantly enhancing ORR and HER activities. Spectroscopic analysis and theoretical calculations uncover that this EFT effect breaks the ORR scaling limitation and positions ...
Tingyu Lu+12 more
wiley +1 more source
Applications of band-limited extrapolation to forecasting of weather and financial time series [PDF]
This paper describes the practical application of causal extrapolation of sequences for the purpose of forecasting. The methods and proofs have been applied to simulations to measure the range which data can be accurately extrapolated. Real world data from the Australian Stock exchange and the Australian Bureau of Meteorology have been tested and ...
arxiv