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The growing integration of electric vehicle (EV) fleets into transportation services and energy systems requires accurate modeling of battery discharge and state-of-charge (SoC) evolution to ensure reliable vehicle operation and grid…
This paper presents a novel physical parameter estimation framework for on-site model characterization, using a two-phase modelling strategy with Physics-Informed Neural Networks (PINNs) and transfer learning (TL). In the first phase, a…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
Power models are needed to assess the power consumption of cellular Base Station (BS) on an abstract level. Currently available models are either too simplified to cover necessary aspects or overly complex. We provide a parameterized linear…
Charge and energy transfer in biological and synthetic organic materials are strongly influenced by the coupling of electronic states to high-frequency underdamped vibrations under dephasing noise. Non-perturbative simulations of these…
Optimization of materials performance for specific applications often requires balancing multiple aspects of materials functionality. Even for the cases where generative physical model of material behavior is known and reliable, this often…
A new method for combining several initial estimators of the regression function is introduced. Instead of building a linear or convex optimized combination over a collection of basic estimators $r_1,\dots,r_M$, we use them as a collective…
Data-driven methods for battery lifetime prediction are attracting increasing attention for applications in which the degradation mechanisms are poorly understood and suitable training sets are available. However, while advanced machine…
We present DiffXPBD, a novel and efficient analytical formulation for the differentiable position-based simulation of compliant constrained dynamics (XPBD). Our proposed method allows computation of gradients of numerous parameters with…
This thesis studies derivative-free optimization (DFO), particularly model-based methods and software. These methods are motivated by optimization problems for which it is impossible or prohibitively expensive to access the first-order…
How should we intervene on an unknown structural equation model to maximize a downstream variable of interest? This setting, also known as causal Bayesian optimization (CBO), has important applications in medicine, ecology, and…
In an increasing number of applications designers have access to multiple computer models which typically have different levels of fidelity and cost. Traditionally, designers calibrate these models one at a time against some high-fidelity…
In this work, we propose a meta-learning-based Koopman modeling and predictive control approach for nonlinear systems with parametric uncertainties. An adaptive deep meta-learning-based modeling approach, called Meta Adaptive Koopman…
Currently, the characterization of electric energy storage units used for power system operation and planning models relies on two major assumptions: charge and discharge efficiencies, and power limits are constant and independent of the…
In the context of charging electric vehicles (EVs), the price-based demand response (PBDR) is becoming increasingly significant for charging load management. Such response usually encourages cost-sensitive customers to adjust their energy…
Fast charging of lithium-ion batteries has gained extensive research interests, but most of existing methods are either based on simple rule-based charging profiles or require explicit battery models that are non-trivial to identify…
The co-optimization of behind-the-meter distributed energy resources is considered for prosumers under the net energy metering tariff. The distributed energy resources considered include renewable generations, flexible demands, and battery…
Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that…
The identification of material parameters occurring in constitutive models has a wide range of applications in practice. One of these applications is the monitoring and assessment of the actual condition of infrastructure buildings, as the…
We study the problem of performance optimization of closed-loop control systems with unmodeled dynamics. Bayesian optimization (BO) has been demonstrated effective for improving closed-loop performance by automatically tuning controller…