Farman Ullah

Kihyun Lee, Jinsub Park, Soyeon Choi et al.

Scanning transmission electron microscopy (STEM) is an indispensable tool for atomic-resolution structural analysis for a wide range of materials. The conventional analysis of STEM images is an extensive hands-on process, which limits efficient handling of high-throughput data. Here we apply a fully convolutional network (FCN) for identification of important structural features of two-dimensional crystals. ResUNet, a type of FCN, is utilized in identifying sulfur vacancies and polymorph types of ${MoS_2}$ from atomic resolution STEM images. Efficient models are achieved based on training with simulated images in the presence of different levels of noise, aberrations, and carbon contamination. The accuracy of the FCN models toward extensive experimental STEM images is comparable to that of careful hands-on analysis. Our work provides a guideline on best practices to train a deep learning model for STEM image analysis and demonstrates FCN's application for efficient processing of a large volume of STEM data.

Newman Cheng, Gordon Broadbent, Jason Dong et al.

We present Cognitive Loop via In-Situ Optimization (CLIO), an agent that couples a continuously-updated belief-state graph with a recursive plan-then-act loop. The result is a reasoning agent that can contribute something qualitatively different, which we term \emph{calibrated deference}: the capacity to recognize when its own tools or assumptions are failing, to adapt its strategy in response, and to generate mechanistic hypotheses that guide experimental revision. We tested CLIO in a closed-loop human-AI campaign to design an aqueous organic redox flow battery (AORFB) negolyte, with CLIO leading proposal and interpretation in close partnership with chemists who synthesized, characterized, and weighed in on design choices. Across 17 candidates over three rounds, CLIO converged on a top phosphonate candidate; characterization confirmed a 130~mV improvement in redox potential over the literature baseline. Characterization then revealed unexpectedly poor electrochemical reversibility -- a regression no property predictor had flagged. CLIO generated competing mechanistic hypotheses, prioritized discriminating diagnostics, traced the failure to phosphonate-potassium ion pairing, and prescribed a sulfonate replacement. The resulting compound showed substantially improved electrochemical reversibility and maintained a 90~mV improvement in redox potential, closing the design-make-test-redesign loop.

Jalal Khan, Manzoor Khan, Sherzod Turaev et al.

The driving environment perception has a vital role for autonomous driving and nowadays has been actively explored for its realization. The research community and relevant stakeholders necessitate the development of Deep Learning (DL) models and AI-enabled solutions to enhance autonomous vehicles (AVs) for smart mobility. There is a need to develop a model that accurately perceives multiple objects on the road and predicts the driver's perception to control the car's movements. This article proposes a novel utility-based analytical model that enables perception systems of AVs to understand the driving environment. The article consists of modules: acquiring a custom dataset having distinctive objects, i.e., motorcyclists, rickshaws, etc; a DL-based model (YOLOv8s) for object detection; and a module to measure the utility of perception service from the performance values of trained model instances. The perception model is validated based on the object detection task, and its process is benchmarked by state-of-the-art deep learning models' performance metrics from the nuScense dataset. The experimental results show three best-performing YOLOv8s instances based on mAP@0.5 values, i.e., SGD-based (0.832), Adam-based (0.810), and AdamW-based (0.822). However, the AdamW-based model (i.e., car: 0.921, motorcyclist: 0.899, truck: 0.793, etc.) still outperforms the SGD-based model (i.e., car: 0.915, motorcyclist: 0.892, truck: 0.781, etc.) because it has better class-level performance values, confirmed by the proposed perception model. We validate that the proposed function is capable of finding the right perception for AVs. The results above encourage using the proposed perception model to evaluate the utility of learning models and determine the appropriate perception for AVs.