electron microscopy image
AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use
Yang, Yaotian, Tang, Yiwen, Chen, Yizhe, Chen, Xiao, Qiu, Jiangjie, Xiong, Hao, Yin, Haoyu, Luo, Zhiyao, Zhang, Yifei, Tao, Sijia, Li, Wentao, Zhang, Qinghua, Li, Yuqiang, Ouyang, Wanli, Zhao, Bin, Wang, Xiaonan, Wei, Fei
Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.
Deep learning for fast segmentation and critical dimension metrology & characterization enabling AR/VR design and fabrication
Chaudhary, Kundan, Shaar, Subhei, Muthinti, Raja
Quantitative analysis of microscopy images is essential in the design and fabrication of components used in augmented reality/virtual reality (AR/VR) modules. However, segmenting regions of interest (ROIs) from these complex images and extracting critical dimensions (CDs) requires novel techniques, such as deep learning models which are key for actionable decisions on process, material and device optimization. In this study, we report on the fine-tuning of a pre-trained'Segment Anything Model' (SAM) using a diverse dataset of electron microscopy images. We employed methods such as low-rank adaptation (LoRA) to reduce training time and enhance the accuracy of ROI extraction. The model's ability to generalize to unseen images facilitates zero-shot learning and supports a CD extraction model that precisely extracts CDs from the segmented ROIs. We demonstrate the accurate extraction of binary images from cross-sectional images of surface relief gratings (SRGs) and Fresnel lenses in both single and multiclass modes. Furthermore, these binary images are used to identify transition points, aiding in the extraction of relevant CDs. The combined use of the fine-tuned segmentation model and the CD extraction model offers substantial advantages to various industrial applications by enhancing analytical capabilities, time to data and insights, and optimizing manufacturing processes.
Deep Neural Networks Segment Neuronal Membranes in Electron Microscopy Images
We address a central problem of neuroanatomy, namely, the automatic segmentation of neuronal structures depicted in stacks of electron microscopy (EM) images. This is necessary to efficiently map 3D brain structure and connectivity. To segment {\em biological} neuron membranes, we use a special type of deep {\em artificial} neural network as a pixel classifier. The label of each pixel (membrane or non-membrane) is predicted from raw pixel values in a square window centered on it. It is followed by a succession of convolutional and max-pooling layers which preserve 2D information and extract features with increasing levels of abstraction. The output layer produces a calibrated probability for each class.
Off-the-shelf deep learning is not enough: parsimony, Bayes and causality
Vasudevan, Rama K., Ziatdinov, Maxim, Vlcek, Lukas, Kalinin, Sergei V.
Deep neural networks ("deep learning") have emerged as a technology of choice to tackle problems in natural language processing, computer vision, speech recognition and gameplay, and in just a few years has led to superhuman level performance and ushered in a new wave of "AI." Buoyed by these successes, researchers in the physical sciences have made steady progress in incorporating deep learning into their respective domains. However, such adoption brings substantial challenges that need to be recognized and confronted. Here, we discuss both opportunities and roadblocks to implementation of deep learning within materials science, focusing on the relationship between correlative nature of machine learning and causal hypothesis driven nature of physical sciences. We argue that deep learning and AI are now well positioned to revolutionize fields where causal links are known, as is the case for applications in theory. When confounding factors are frozen or change only weakly, this leaves open the pathway for effective deep learning solutions in experimental domains. Similarly, these methods offer a pathway towards understanding the physics of real-world systems, either via deriving reduced representations, deducing algorithmic complexity, or recovering generative physical models. However, extending deep learning and "AI" for models with unclear causal relationship can produce misleading and potentially incorrect results. Here, we argue the broad adoption of Bayesian methods incorporating prior knowledge, development of DL solutions with incorporated physical constraints, and ultimately adoption of causal models, offers a path forward for fundamental and applied research. Most notably, while these advances can change the way science is carried out in ways we cannot imagine, machine learning is not going to substitute science any time soon.
Deep Neural Networks Segment Neuronal Membranes in Electron Microscopy Images
Ciresan, Dan, Giusti, Alessandro, Gambardella, Luca M., Schmidhuber, Jürgen
We address a central problem of neuroanatomy, namely, the automatic segmentation of neuronal structures depicted in stacks of electron microscopy (EM) images. This is necessary to efficiently map 3D brain structure and connectivity. To segment {\em biological} neuron membranes, we use a special type of deep {\em artificial} neural network as a pixel classifier. The label of each pixel (membrane or non-membrane) is predicted from raw pixel values in a square window centered on it. It is followed by a succession of convolutional and max-pooling layers which preserve 2D information and extract features with increasing levels of abstraction.
Biomedical Image Segmentation: U-Net
Image Classification helps us to classify what is contained in an image. The goal is to answer "is there a cat in this image?", Object Detection specifies the location of objects in the image. The goal is to identify "where is the cat in this image?", Image Segmentation creates a pixel-wise mask of each object in the images.
Artificial intelligence on Summit to discover atomic-scale structures.
The same image shown using different analysis methods. Defects that don't exist are shown in purple, and defects that weren't identified are orange. In mere hours, researchers created a neural network that performed as well as a human expert, demonstrating MENNDL's ability to significantly reduce the time to analyze electron microscopy images. Finding defects in electron microscopy images takes months. It's called MENNDL, the Multinode Evolutionary Neural Networks for Deep Learning.