Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design
One of the main challenges in materials discovery is efficiently exploring the vast search
space for targeted properties as approaches that rely on trial-and-error are impractical. We …
space for targeted properties as approaches that rely on trial-and-error are impractical. We …
Statistical inference and adaptive design for materials discovery
A key aspect of the develo** field of materials informatics is optimally guiding experiments
or calculations towards parts of the relatively vast feature space where a material with …
or calculations towards parts of the relatively vast feature space where a material with …
[PDF][PDF] Current and future directions in network biology
Network biology is an interdisciplinary field bridging computational and biological sciences
that has proved pivotal in advancing the understanding of cellular functions and diseases …
that has proved pivotal in advancing the understanding of cellular functions and diseases …
A framework for strategic discovery of credible neural network surrogate models under uncertainty
The widespread integration of deep neural networks in develo** data-driven surrogate
models for high-fidelity simulations of complex physical systems highlights the critical …
models for high-fidelity simulations of complex physical systems highlights the critical …
Optimal experimental design for materials discovery
In this paper, we propose a general experimental design framework for optimally guiding
new experiments or simulations in search of new materials with desired properties. The …
new experiments or simulations in search of new materials with desired properties. The …
Knowledge-driven learning, optimization, and experimental design under uncertainty for materials discovery
Significant acceleration of the future discovery of novel functional materials requires a
fundamental shift from the current materials discovery practice, which is heavily dependent …
fundamental shift from the current materials discovery practice, which is heavily dependent …
Multi-objective latent space optimization of generative molecular design models
Molecular design based on generative models, such as variational autoencoders (VAEs),
has become increasingly popular in recent years due to its efficiency for exploring high …
has become increasingly popular in recent years due to its efficiency for exploring high …
Intrinsically Bayesian robust Kalman filter: An innovation process approach
In many contemporary engineering problems, model uncertainty is inherent because
accurate system identification is virtually impossible owing to system complexity or lack of …
accurate system identification is virtually impossible owing to system complexity or lack of …
Model-based robust filtering and experimental design for stochastic differential equation systems
We derive robust linear filtering and experimental design for systems governed by stochastic
differential equations (SDEs) under model uncertainty. Given a model of signal and …
differential equations (SDEs) under model uncertainty. Given a model of signal and …
Plant synthetic biology: quantifying the “known unknowns” and discovering the “unknown unknowns”
Plant Synthetic Biology: Quantifying the “Known Unknowns” and Discovering the “Unknown
Unknowns” | Plant Physiology | Oxford Academic Skip to Main Content Advertisement Oxford …
Unknowns” | Plant Physiology | Oxford Academic Skip to Main Content Advertisement Oxford …