A new approach to the time-sequential sampling problem

Author(s):  
N.P. Willis ◽  
Y. Bresler
1999 ◽  
Vol 44 (1) ◽  
pp. 145-148 ◽  
Author(s):  
D. Castanon ◽  
S. Streltsov ◽  
P. Vakili

Author(s):  
Roxanne A. Moore ◽  
David A. Romero ◽  
Christiaan J. J. Paredis

Computer models and simulations are essential system design tools that allow for improved decision making and cost reductions during all phases of the design process. However, the most accurate models tend to be computationally expensive and can therefore only be used sporadically. Consequently, designers are often forced to choose between exploring many design alternatives with less accurate, inexpensive models and evaluating fewer alternatives with the most accurate models. To achieve both broad exploration of the design space and accurate determination of the best alternatives, surrogate modeling and variable accuracy modeling are gaining in popularity. A surrogate model is a mathematically tractable approximation of a more expensive model based on a limited sampling of that model. Variable accuracy modeling involves a collection of different models of the same system with different accuracies and computational costs. We hypothesize that designers can determine the best solutions more efficiently using surrogate and variable accuracy models. This hypothesis is based on the observation that very poor solutions can be eliminated inexpensively by using only less accurate models. The most accurate models are then reserved for discerning the best solution from the set of good solutions. In this paper, a new approach for global optimization is introduced, which uses variable accuracy models in conjuction with a kriging surrogate model and a sequential sampling strategy based on a Value of Information (VOI) metric. There are two main contributions. The first is a novel surrogate modeling method that accommodates data from any number of different models of varying accuracy and cost. The proposed surrogate model is Gaussian process-based, much like classic kriging modeling approaches. However, in this new approach, the error between the model output and the unknown truth (the real world process) is explicitly accounted for. When variable accuracy data is used, the resulting response surface does not interpolate the data points but provides an approximate fit giving the most weight to the most accurate data. The second contribution is a new method for sequential sampling. Information from the current surrogate model is combined with the underlying variable accuracy models’ cost and accuracy to determine where best to sample next using the VOI metric. This metric is used to mathematically determine where next to sample and with which model. In this manner, the cost of further analysis is explicitly taken into account during the optimization process.


2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé

<div>Abstract Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS) combines the strengths of statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. Additionally, TALOS is closely connected to actor-critic reinforcement learning, giving rise to a new approach to manipulating the Hamiltonian systems via deep learning.</div>


2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé

<div>Abstract Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS) combines the strengths of statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. Additionally, TALOS is closely connected to actor-critic reinforcement learning, giving rise to a new approach to manipulating the Hamiltonian systems via deep learning.</div>


2019 ◽  
Author(s):  
Jun Zhang ◽  
Yi Isaac Yang ◽  
Frank Noé

<div>Abstract Boosting transitions of rare events is critical to modern-day simulations of complex dynamic systems. We present a novel approach to modify the potential energy surface in order to drive the system to a user-defined target distribution where the free energy barrier is lowered. The new approach, called targeted adversarial learning optimized sampling (TALOS) combines the strengths of statistical mechanics and deep learning. By casting the enhanced sampling problem as a competing game between a real sampling engine and a virtual discriminator, TALOS enables unsupervised construction of bias potential on an arbitrary dimensional space and seeks for an optimal transport plan that transforms the system into target. Through multiple experiments we show that on-the-fly training of TALOS benefits from the state-of-art optimization techniques in deep learning, thus is efficient, robust and interpretable. Additionally, TALOS is closely connected to actor-critic reinforcement learning, giving rise to a new approach to manipulating the Hamiltonian systems via deep learning.</div>


1999 ◽  
Vol 173 ◽  
pp. 185-188
Author(s):  
Gy. Szabó ◽  
K. Sárneczky ◽  
L.L. Kiss

AbstractA widely used tool in studying quasi-monoperiodic processes is the O–C diagram. This paper deals with the application of this diagram in minor planet studies. The main difference between our approach and the classical O–C diagram is that we transform the epoch (=time) dependence into the geocentric longitude domain. We outline a rotation modelling using this modified O–C and illustrate the abilities with detailed error analysis. The primary assumption, that the monotonity and the shape of this diagram is (almost) independent of the geometry of the asteroids is discussed and tested. The monotonity enables an unambiguous distinction between the prograde and retrograde rotation, thus the four-fold (or in some cases the two-fold) ambiguities can be avoided. This turned out to be the main advantage of the O–C examination. As an extension to the theoretical work, we present some preliminary results on 1727 Mette based on new CCD observations.


Author(s):  
V. Mizuhira ◽  
Y. Futaesaku

Previously we reported that tannic acid is a very effective fixative for proteins including polypeptides. Especially, in the cross section of microtubules, thirteen submits in A-tubule and eleven in B-tubule could be observed very clearly. An elastic fiber could be demonstrated very clearly, as an electron opaque, homogeneous fiber. However, tannic acid did not penetrate into the deep portion of the tissue-block. So we tried Catechin. This shows almost the same chemical natures as that of proteins, as tannic acid. Moreover, we thought that catechin should have two active-reaction sites, one is phenol,and the other is catechole. Catechole site should react with osmium, to make Os- black. Phenol-site should react with peroxidase existing perhydroxide.


Author(s):  
K. Chien ◽  
R. Van de Velde ◽  
I.P. Shintaku ◽  
A.F. Sassoon

Immunoelectron microscopy of neoplastic lymphoma cells is valuable for precise localization of surface antigens and identification of cell types. We have developed a new approach in which the immunohistochemical staining can be evaluated prior to embedding for EM and desired area subsequently selected for ultrathin sectioning.A freshly prepared lymphoma cell suspension is spun onto polylysine hydrobromide- coated glass slides by cytocentrifugation and immediately fixed without air drying in polylysine paraformaldehyde (PLP) fixative. After rinsing in PBS, slides are stained by a 3-step immunoperoxidase method. Cell monolayer is then fixed in buffered 3% glutaraldehyde prior to DAB reaction. After the DAB reaction step, wet monolayers can be examined under LM for presence of brown reaction product and selected monolayers then processed by routine methods for EM and embedded with the Chien Re-embedding Mold. After the polymerization, the epoxy blocks are easily separated from the glass slides by heatingon a 100°C hot plate for 20 seconds.


Author(s):  
W. A. Chiou ◽  
N. Kohyama ◽  
B. Little ◽  
P. Wagner ◽  
M. Meshii

The corrosion of copper and copper alloys in a marine environment is of great concern because of their widespread use in heat exchangers and steam condensers in which natural seawater is the coolant. It has become increasingly evident that microorganisms play an important role in the corrosion of a number of metals and alloys under a variety of environments. For the past 15 years the use of SEM has proven to be useful in studying biofilms and spatial relationships between bacteria and localized corrosion of metals. Little information, however, has been obtained using TEM capitalizing on its higher spacial resolution and the transmission observation of interfaces. The research presented herein is the first step of this new approach in studying the corrosion with biological influence in pure copper.Commercially produced copper (Cu, 99%) foils of approximately 120 μm thick exposed to a copper-tolerant marine bacterium, Oceanospirillum, and an abiotic culture medium were subsampled (1 cm × 1 cm) for this study along with unexposed control samples.


Author(s):  
Arthur V. Jones

With the introduction of field-emission sources and “immersion-type” objective lenses, the resolution obtainable with modern scanning electron microscopes is approaching that obtainable in STEM and TEM-but only with specific types of specimens. Bulk specimens still suffer from the restrictions imposed by internal scattering and the need to be conducting. Advances in coating techniques have largely overcome these problems but for a sizeable body of specimens, the restrictions imposed by coating are unacceptable.For such specimens, low voltage operation, with its low beam penetration and freedom from charging artifacts, is the method of choice.Unfortunately the technical dificulties in producing an electron beam sufficiently small and of sufficient intensity are considerably greater at low beam energies — so much so that a radical reevaluation of convential design concepts is needed.The probe diameter is usually given by


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