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Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from its sequence or structure remains a major challenge. Here, we introduce holographic convolutional neural network (H-CNN) for proteins, which is a physically motivated machine learning approach to model amino acid preferences in protein structures. H-CNN reflects physical interactions in a protein structure and recapitulates the functional information stored in evolutionary data. H-CNN accurately predicts the impact of mutations on protein stability and binding of protein complexes. Our interpretable computational model for protein structure–function maps could guide design of novel proteins with desired function. 

Solid-state defect qubit systems with spin-photon interfaces show great promise for quantum information and metrology applications. Photon collection efficiency, however, presents a major challenge for defect qubits in high refractive index host materials. Inverse-design optimization of photonic devices enables unprecedented flexibility in tailoring critical parameters of a spin-photon interface including spectral response, photon polarization, and collection mode. Further, the design process can incorporate additional constraints, such as fabrication tolerance and material processing limitations. Here, we design and demonstrate a compact hybrid gallium phosphide on diamond inverse-design planar dielectric structure coupled to single near-surface nitrogen-vacancy centers formed by implantation and annealing. We observe up to a 14-fold broadband enhancement in photon extraction efficiency, in close agreement with simulations. We expect that such inverse-designed devices will enable realization of scalable arrays of single-photon emitters, rapid characterization of new quantum emitters, efficient sensing, and heralded entanglement schemes. 

Abstract Many measurements at the LHC require efficient identification of heavy-flavour jets, i.e. jets originating from bottom (b) or charm (c) quarks. An overview of the algorithms used to identify c jets is described and a novel method to calibrate them is presented. This new method adjusts the entire distributions of the outputs obtained when the algorithms are applied to jets of different flavours. It is based on an iterative approach exploiting three distinct control regions that are enriched with either b jets, c jets, or light-flavour and gluon jets. Results are presented in the form of correction factors evaluated using proton-proton collision data with an integrated luminosity of 41.5 fb -1 at  √s = 13 TeV, collected by the CMS experiment in 2017. The closure of the method is tested by applying the measured correction factors on simulated data sets and checking the agreement between the adjusted simulation and collision data. Furthermore, a validation is performed by testing the method on pseudodata, which emulate various mismodelling conditions. The calibrated results enable the use of the full distributions of heavy-flavour identification algorithm outputs, e.g. as inputs to machine-learning models. Thus, they are expected to increase the sensitivity of future physics analyses.