CLAIMED: A CLAssification-Incorporated Minimum Energy Design to Explore a Multivariate Response Surface With Feasibility Constraints
نویسندگان
چکیده
Motivated by the problem of optimization force-field systems in physics using large-scale computer simulations, we consider exploration a deterministic complex multivariate response surface. The objective is to find input combinations that generate output close some desired or “target” vector. Despite reducing space with respect 1-D loss function, search nontrivial and challenging due infeasible combinations, high dimensionalities multiple “desirable” regions space, difficulty emulating function well surrogate model. We propose an approach based on combining machine learning techniques smart experimental design ideas locate good space. Note Practitioners—ReaxFF force field incorporates functions associated inputs order describe inter- intra-atomic interactions materials systems. A typical ReaxFF consists hundreds parameters (inputs) per element type. During development for molecular system interest, these are optimized reproduce material properties benchmark reference values. Finding “good” produce values their gold standards because there may be several parameter “almost equally good” “equally desirable.” To add complication, simply lead crash, not producing any at all. Standard global methods do address such problem. novel framework can this Beyond optimization, it applied multiobjective engineering physical sciences, where unknown constraints focus obtaining points serve as alternatives single optimum.
منابع مشابه
investigating the feasibility of a proposed model for geometric design of deployable arch structures
deployable scissor type structures are composed of the so-called scissor-like elements (sles), which are connected to each other at an intermediate point through a pivotal connection and allow them to be folded into a compact bundle for storage or transport. several sles are connected to each other in order to form units with regular polygonal plan views. the sides and radii of the polygons are...
a comparison of teachers and supervisors, with respect to teacher efficacy and reflection
supervisors play an undeniable role in training teachers, before starting their professional experience by preparing them, at the initial years of their teaching by checking their work within the proper framework, and later on during their teaching by assessing their progress. but surprisingly, exploring their attributes, professional demands, and qualifications has remained a neglected theme i...
15 صفحه اولOptimal Energy Management and Feasibility Study of a Hybrid Energy System for a Remote Area
This paper investigates impacts of possible chances in energy policy and consumption behavior on optimal energy management and feasibility study of a hybrid energy system. The study was performed on a remote area near Esfarjan, a village located in Shahreza, Iran. In the main scenario, the current energy policy is applied while the consumption behavior of customers is studied by means of an inc...
متن کاملVesselMap: A web interface to explore multivariate vascular data
Hemodynamics plays a key role in the pathological evolution of vascular diseases such as vascular stenosis, plaques and aneurysms. Augmented visualization of relevant hemodynamic and geometric data accelerates engineering designs of diagnostic and therapeutic methods for those vascular diseases. However, four dimensional (4D) hemodynamic data are intrinsically complex. Consequently, exploration...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: IEEE Transactions on Automation Science and Engineering
سال: 2022
ISSN: ['1545-5955', '1558-3783']
DOI: https://doi.org/10.1109/tase.2021.3094500