nanostructure
CbLDM: A Diffusion Model for recovering nanostructure from pair distribution function
Cao, Jiarui, Zhang, Zhiyang, Wang, Heming, Xu, Jun, Lan, Ling, Gu, Ran, Billinge, Simon J. L.
Nowadays, the nanostructure inverse problem is an attractive problem that helps researchers to understand the relationship between the properties and the structure of nanomaterials. This article focuses on the problem of using PDF to recover the nanostructure, which this article views as a conditional generation problem. This article propose a deep learning model CbLDM, Condition-based Latent Diffusion Model. Based on the original latent diffusion model, the sampling steps of the diffusion model are reduced and the sample generation efficiency is improved by using the conditional prior to estimate conditional posterior distribution, which is the approximated distribution of p(z|x). In addition, this article uses the Laplacian matrix instead of the distance matrix to recover the nanostructure, which can reduce the reconstruction error. Finally, this article compares CbLDM with existing models which were used to solve the nanostructure inverse problem, and find that CbLDM demonstrates significantly higher prediction accuracy than these models, which reflects the ability of CbLDM to solve the nanostructure inverse problem and the potential to cope with other continuous conditional generation tasks.
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Sparks of Artificial General Intelligence(AGI) in Semiconductor Material Science: Early Explorations into the Next Frontier of Generative AI-Assisted Electron Micrograph Analysis
Srinivas, Sakhinana Sagar, Sannidhi, Geethan, Gangasani, Sreeja, Ravuru, Chidaksh, Runkana, Venkataramana
Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pipeline that leverages recent advances in Generative AI. It is designed for analyzing and understanding the microstructures of semiconductor materials with effectiveness comparable to that of human experts, contributing to the pursuit of Artificial General Intelligence (AGI) in nanomaterial identification. Our approach utilizes Large MultiModal Models (LMMs) such as GPT-4V, alongside text-to-image models like DALLE-3. We integrate a GPT-4 guided Visual Question Answering (VQA) method to analyze nanomaterial images, generate synthetic nanomaterial images via DALLE-3, and employ in-context learning with few-shot prompting in GPT-4V for accurate nanomaterial identification. Our method surpasses traditional techniques by enhancing the precision of nanomaterial identification and optimizing the process for high-throughput screening.
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- Information Technology > Artificial Intelligence > Natural Language > Large Language Model (1.00)
- Information Technology > Artificial Intelligence > Natural Language > Chatbot (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Neural Networks > Deep Learning > Generative AI (1.00)
Parameter-Efficient Quantized Mixture-of-Experts Meets Vision-Language Instruction Tuning for Semiconductor Electron Micrograph Analysis
Srinivas, Sakhinana Sagar, Ravuru, Chidaksh, Sannidhi, Geethan, Runkana, Venkataramana
Semiconductors, crucial to modern electronics, are generally under-researched in foundational models. It highlights the need for research to enhance the semiconductor device technology portfolio and aid in high-end device fabrication. In this paper, we introduce sLAVA, a small-scale vision-language assistant tailored for semiconductor manufacturing, with a focus on electron microscopy image analysis. It addresses challenges of data scarcity and acquiring high-quality, expert-annotated data. We employ a teacher-student paradigm, using a foundational vision language model like GPT-4 as a teacher to create instruction-following multimodal data for customizing the student model, sLAVA, for electron microscopic image analysis tasks on consumer hardware with limited budgets. Our approach allows enterprises to further fine-tune the proposed framework with their proprietary data securely within their own infrastructure, protecting intellectual property. Rigorous experiments validate that our framework surpasses traditional methods, handles data shifts, and enables high-throughput screening.
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- Information Technology > Security & Privacy (0.67)
- Information Technology > Hardware (0.48)
From Peptides to Nanostructures: A Euclidean Transformer for Fast and Stable Machine Learned Force Fields
Frank, J. Thorben, Unke, Oliver T., Müller, Klaus-Robert, Chmiela, Stefan
Recent years have seen vast progress in the development of machine learned force fields (MLFFs) based on ab-initio reference calculations. Despite achieving low test errors, the suitability of MLFFs in molecular dynamics (MD) simulations is being increasingly scrutinized due to concerns about instability. Our findings suggest a potential connection between MD simulation stability and the presence of equivariant representations in MLFFs, but their computational cost can limit practical advantages they would otherwise bring. To address this, we propose a transformer architecture called SO3krates that combines sparse equivariant representations (Euclidean variables) with a self-attention mechanism that can separate invariant and equivariant information, eliminating the need for expensive tensor products. SO3krates achieves a unique combination of accuracy, stability, and speed that enables insightful analysis of quantum properties of matter on unprecedented time and system size scales. To showcase this capability, we generate stable MD trajectories for flexible peptides and supra-molecular structures with hundreds of atoms. Furthermore, we investigate the PES topology for medium-sized chainlike molecules (e.g., small peptides) by exploring thousands of minima. Remarkably, SO3krates demonstrates the ability to strike a balance between the conflicting demands of stability and the emergence of new minimum-energy conformations beyond the training data, which is crucial for realistic exploration tasks in the field of biochemistry.
An Efficient Clustering Algorithm Using Stochastic Association Model and Its Implementation Using Nanostructures
This paper describes a clustering algorithm for vector quantizers using a "stochastic association model". It offers a new simple and powerful soft- max adaptation rule. The adaptation process is the same as the on-line K-means clustering method except for adding random fluctuation in the distortion error evaluation process. Simulation results demonstrate that the new algorithm can achieve efficient adaptation as high as the "neural gas" algorithm, which is reported as one of the most efficient clustering methods. It is a key to add uncorrelated random fluctuation in the simi- larity evaluation process for each reference vector.
Smartphone Cameras Might Soon Capture Polarization Data
Imagine a camera that's mounted on your car being able to identify black ice on the road, giving you a heads-up before you drive over it. Or a cell phone camera that can tell whether a lesion on your skin is possibly cancerous. Or the ability for Face ID to work even when you have a face mask on. These are all possibilities Metalenz is touting with its new PolarEyes polarization technology. Last year, the company unveiled a flat-lens system called optical metasurfaces for mobile devices that took up less space while purportedly producing similar- if not better-quality images than a traditional smartphone camera.
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- Information Technology > Communications > Mobile (0.94)
A Big Bet on Nanotechnology Has Paid Off
We're now more than two decades out from the initial announcement of the National Nanotechnology Initiative (NNI), a federal program from President Bill Clinton founded in 2000 to support nanotechnology research and development in universities, government agencies and industry laboratories across the United States. It was a significant financial bet on a field that was better known among the general public for science fiction than scientific achievement. Today it's clear that the NNI did more than influence the direction of research in the U.S. It catalyzed a worldwide effort and spurred an explosion of creativity in the scientific community. And we're reaping the rewards not just in medicine, but also clean energy, environmental remediation and beyond. Before the NNI, there were people who thought nanotechnology was a gimmick. I began my research career in chemistry, but it seemed to me that nanotechnology was a once-in-a-lifetime opportunity: the opening of a new field that crossed scientific disciplines.
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Can AI solve the mysteries of photonic nanostructures? - Advanced Science News
Researchers at Georgia Institute of Technology have demonstrated the use of artificial intelligence (AI) in obtaining valuable insights to the operation of photonic nanostructures, which manipulate light for applications such as signal processing, communications, and computing. The study was recently published in the journal Advanced Intelligent Systems. By proper selection of the geometrical features of these nanoelements, a large range of system-level functionalities (e.g., filtering, lensing, frequency conversion) can be achieved. While most reports on using AI techniques in the field of nanophotonics are focused on the design and optimization of nanostructures, such as finding the geometrical features of meta-atoms, the new approach seeks to use the "intelligence" aspects of AI to understand the physics of these nanostructures, for example, in assessing the feasibility of a response from a given nanostructure. This new approach is implemented in two steps: in the first step, the relation between input and output of the nanostructure is highly simplified by dimensionality reduction.
Spectra2pix: Generating Nanostructure Images from Spectra
The design of the nanostructures that are used in the field of nano-photonics has remained complex, very often relying on the intuition and expertise of the designer, ultimately limiting the reach and penetration of this groundbreaking approach. Recently, there has been an increasing number of studies suggesting to apply Machine Learning techniques for the design of nanostructures. Most of these studies engage Deep Learning techniques, which entails training a Deep Neural Network (DNN) to approximate the highly non-linear function of the underlying physical process between spectra and nanostructures. At the end of the training, the DNN allows an on-demand design of nanostructures, i.e. the model can infer nanostructure geometries for desired spectra. In this work, we introduce spectra2pix, which is a model DNN trained to generate 2D images of the designed nanostructures.
Spectra2pix: Generating Nanostructure Images from Spectra
Malkiel, Itzik, Mrejen, Michael, Wolf, Lior, Suchowski, Haim
The design of the nanostructures that are used in the field of nano-photonics has remained complex, very often relying on the intuition and expertise of the designer, ultimately limiting the reach and penetration of this groundbreaking approach. Recently, there has been an increasing number of studies suggesting to apply Machine Learning techniques for the design of nanostructures. Most of these studies engage Deep Learning techniques, which entails training a Deep Neural Network (DNN) to approximate the highly non-linear function of the underlying physical process between spectra and nanostructures. At the end of the training, the DNN allows an on-demand design of nanostructures, i.e. the model can infer nanostructure geometries for desired spectra. In this work, we introduce spectra2pix, which is a model DNN trained to generate 2D images of the designed nanostructures. Our model architecture is not limited to a closed set of nanostructure shapes, and can be trained for the design of any geometry. We show, for the first time, a successful generalization ability by designing a completely unseen sub-family of geometries. This generalization capability highlights the importance of our model architecture, and allows higher applicability for real-world design problems.