Unlocking the potential of nanomaterials in medicine and environmental science hinges on understanding their interactions with proteins, a complex decision space where AI is poised to make a transformative impact. However, progress has been hindered by limited datasets and the restricted generalizability of existing models. Here, we propose NanoPro-3M, the largest nanomaterial-protein interaction dataset to date, comprising over 3.2 million samples and 37,000 unique proteins. Leveraging this, we present NanoProFormer, a foundational model that predicts nanomaterial-protein affinities through multimodal representation learning, demonstrating strong generalization, handling missing features, and unseen nanomaterials or proteins. We show that multimodal modeling significantly outperforms single-modality approaches and identifies key determinants of corona formation. Furthermore, we demonstrate its applicability to a range of downstream tasks through zero-shot inference and fine-tuning. Together, this work establishes a solid foundation for high-performance and generalized prediction of nanomaterial-protein interaction endpoints, reducing experimental reliance and accelerating various in vitro applications.

This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to serve as an intelligent research assistant, enhancing the efficiency and comprehensiveness of literature reviews in the nanotechnology domain. Central to this LLM-RAG system is its advanced query backend retrieval mechanism, which integrates data from multiple reputable sources. The system retrieves relevant literature by utilizing Google Scholar's advanced search, and scraping open-access papers from Elsevier, Springer Nature, and ACS Publications. This multifaceted approach ensures a broad and diverse collection of up-to-date scholarly articles and papers. The proposed system demonstrates significant potential in aiding researchers by providing a streamlined, accurate, and exhaustive literature retrieval process, thereby accelerating research advancements in nanotechnology. The effectiveness of the LLM-RAG system is validated through rigorous testing, illustrating its capability to significantly reduce the time and effort required for comprehensive literature reviews, while maintaining high accuracy, query relevance and outperforming standard, publicly available LLMS.

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.

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.

We present a novel framework for analyzing and interpreting electron microscopy images in semiconductor manufacturing using vision-language instruction tuning. The framework employs a unique teacher-student approach, leveraging pre-trained multimodal large language models such as GPT-4 to generate instruction-following data for zero-shot visual question answering (VQA) and classification tasks, customizing smaller multimodal models (SMMs) for microscopy image analysis, resulting in an instruction-tuned language-and-vision assistant. Our framework merges knowledge engineering with machine learning to integrate domain-specific expertise from larger to smaller multimodal models within this specialized field, greatly reducing the need for extensive human labeling. Our study presents a secure, cost-effective, and customizable approach for analyzing microscopy images, addressing the challenges of adopting proprietary models in semiconductor manufacturing.

Characterizing materials using electron micrographs is crucial in areas such as semiconductors and quantum materials. Traditional classification methods falter due to the intricatestructures of these micrographs. This study introduces an innovative architecture that leverages the generative capabilities of zero-shot prompting in Large Language Models (LLMs) such as GPT-4(language only), the predictive ability of few-shot (in-context) learning in Large Multimodal Models (LMMs) such as GPT-4(V)ision, and fuses knowledge across image based and linguistic insights for accurate nanomaterial category prediction. This comprehensive approach aims to provide a robust solution for the automated nanomaterial identification task in semiconductor manufacturing, blending performance, efficiency, and interpretability. Our method surpasses conventional approaches, offering precise nanomaterial identification and facilitating high-throughput screening.

Characterizing materials with electron micrographs is a crucial task in fields such as semiconductors and quantum materials. The complex hierarchical structure of micrographs often poses challenges for traditional classification methods. In this study, we propose an innovative backbone architecture for analyzing electron micrographs. We create multi-modal representations of the micrographs by tokenizing them into patch sequences and, additionally, representing them as vision graphs, commonly referred to as patch attributed graphs. We introduce the Hierarchical Network Fusion (HNF), a multi-layered network structure architecture that facilitates information exchange between the multi-modal representations and knowledge integration across different patch resolutions. Furthermore, we leverage large language models (LLMs) to generate detailed technical descriptions of nanomaterials as auxiliary information to assist in the downstream task. We utilize a cross-modal attention mechanism for knowledge fusion across cross-domain representations(both image-based and linguistic insights) to predict the nanomaterial category. This multi-faceted approach promises a more comprehensive and accurate representation and classification of micrographs for nanomaterial identification. Our framework outperforms traditional methods, overcoming challenges posed by distributional shifts, and facilitating high-throughput screening.

Semiconductor imaging and analysis are critical yet understudied in deep learning, limiting our ability for precise control and optimization in semiconductor manufacturing. We introduce a small-scale multimodal framework for analyzing semiconductor electron microscopy images (MAEMI) through vision-language instruction tuning. We generate a customized instruction-following dataset using large multimodal models on microscopic image analysis. We perform knowledge transfer from larger to smaller models through knowledge distillation, resulting in improved accuracy of smaller models on visual question answering (VQA) tasks. This approach eliminates the need for expensive, human expert-annotated datasets for microscopic image analysis tasks. Enterprises can further finetune MAEMI on their intellectual data, enhancing privacy and performance on low-cost consumer hardware. Our experiments show that MAEMI outperforms traditional methods, adapts to data distribution shifts, and supports high-throughput screening.

Introducing a non-negative matrix factorization based pan-sharpening (PSNMF) method to determine chemical compositions from noisy x-ray spectroscopy data. "Nanomaterials" is a broad term used to describe chemical substances or materials in which a single unit is sized between 1 and 100 nanometers (a nanometer is a billionth of a meter). They include exotic materials such as carbon nanotubes, silver nanoparticles (used as antimicrobials), nanoporous materials, and many types of catalysts used for efficiently driving chemical reactions. Nanomaterials are currently used in a wide range of fields, from medicine to electronics, which means that the ability to determine their exact chemical composition is essential. Nonetheless, this proves challenging, because traditional methods for analyzing nanomaterials tend to be susceptible to low signal-to-noise ratios.

Creation of nanomaterials with specific morphology remains a complex experimental process, even though there is a growing demand for these materials in various industry sectors. This study explores the potential of AI to predict the morphology of nanoparticles within the data availability constraints. For that, we first generated a new multi-modal dataset that is double the size of analogous studies. Then, we systematically evaluated performance of classical machine learning and large language models in prediction of nanomaterial shapes and sizes. Finally, we prototyped a text-to-image system, discussed the obtained empirical results, as well as the limitations and promises of existing approaches.