Few-shot deep learning for AFM force curve characterization of single-molecule interactions.

Deep learning (DL)-based analytics has the scope to transform the field of atomic force microscopy (AFM) with regard to fast and bias-free measurement characterization. For example, AFM force-distance curves can help estimate important parameters of binding kinetics, such as the most probable rupture force, binding probability, association, and dissociation constants, as well as receptor density on live cells. Other than the ideal single-rupture event in the force-distance curves, there can be no-rupture, double-rupture, or multiple-rupture events. The current practice is to go through such datasets manually, which can be extremely tedious work for the experimentalists. We address this issue by adopting a few-shot learning approach to build sample-efficient DL models that demonstrate better performance than shallow ML models while matching the performance of moderately trained humans. We also release our AFM force curve dataset and annotations publicly as a benchmark for the research community.

Fast inverse design of microstructures via generative invariance networks.

The problem of the efficient design of material microstructures exhibiting desired properties spans a variety of engineering and science applications. The ability to rapidly generate microstructures that exhibit user-specified property distributions can transform the iterative process of traditional microstructure-sensitive design. We reformulate the microstructure design process using a constrained generative adversarial network (GAN) model. This approach explicitly encodes invariance constraints within GANs to generate two-phase morphologies for photovoltaic applications obeying design specifications: specifically, user-defined short-circuit current density and fill factor combinations. Such invariance constraints can be represented by differentiable, deep learning-based surrogates of full physics models mapping microstructures to photovoltaic properties. Furthermore, we propose a multi-fidelity surrogate that reduces expensive label requirements by a factor of five. Our framework enables the incorporation of expensive or non-differentiable constraints for the fast generation of microstructures (in 190 ms) with user-defined properties. Such proposed physics-aware data-driven methods for inverse design problems can be used to considerably accelerate the field of microstructure-sensitive design.