相关论文: Artificial Intelligence for reverse engineering: a…

In this paper we report a spectrometric approach to dual-energy digital radiography that has been developed and applied to identify specific organic substances and discern small differences in their effective atomic number. An experimental…

Retrieval-augmented generation (RAG) has emerged as a powerful framework for enhancing large language models (LLMs) with external knowledge, particularly in scientific domains that demand specialized and dynamic information. Despite its…

Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still…

The accurate detection of small deviations in given density matrices is important for quantum information processing. Here we propose a new method based on the concept of data mining. We demonstrate that the proposed method can more…

In the times we live in today, humanity faces unprecedented environmental challenges. The emergence of artificial intelligence (AI) has opened new doors in our collective efforts to address our planet's pressing problems; however, many have…

Illegal landfills are a critical issue due to their environmental, economic, and public health impacts. This study leverages aerial imagery for environmental crime monitoring. While advances in artificial intelligence and computer vision…

We introduce a scheme based on machine learning and deep neural networks to model the environmental dependence of the electronic polarizability in insulating materials. Application to liquid water shows that training the network with a…

Unsupervised estimation of the dimensionality of hyperspectral microspectroscopy datasets containing pure and mixed spectral features, and extraction of their representative endmember spectra, remains a challenge in biochemical data mining.…

Law-enforcement investigations aimed at preventing attacks by violent extremists have become increasingly important for public safety. The problem is exacerbated by the massive data volumes that need to be scanned to identify complex…

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

The global market for textile industry is highly competitive nowadays. Quality control in production process in textile industry has been a key factor for retaining existence in such competitive market. Automated textile inspection systems…

In an era of escalating cyber threats, malware poses significant risks to individuals and organizations, potentially leading to data breaches, system failures, and substantial financial losses. This study addresses the urgent need for…

Informatics-driven approaches, such as machine learning and sequential experimental design, have shown the potential to drastically impact next-generation materials discovery and design. In this perspective, we present a few guiding…

Machine learning models have dual-use potential, potentially serving both beneficial and malicious purposes. The development of open-source models in chemistry has specifically surfaced dual-use concerns around toxicological data and…

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors.…

The utility of machine learning (ML) techniques in materials science has accelerated materials design and discovery. However, the accuracy of ML models - particularly deep neural networks - heavily relies on the quality and quantity of the…

Chemical toxicity prediction using machine learning is important in drug development to reduce repeated animal and human testing, thus saving cost and time. It is highly recommended that the predictions of computational toxicology models…

As systems in smart manufacturing become increasingly complex, producing an abundance of data, the potential for production failures becomes increasingly more likely. There arises the need to minimize or eradicate production failures, one…

The analysis of environmental mixtures is of growing importance in environmental epidemiology, and one of the key goals in such analyses is to identify exposures and their interactions that are associated with adverse health outcomes.…

In this paper we present tools for applied researchers that re-purpose off-the-shelf methods from the computer-science field of machine learning to create a "discovery engine" for data from randomized controlled trials (RCTs). The applied…