相关论文: Learning algorithms for identification of whisky u…
Raman micro/macro-spectroscopy allows for a non-destructive remote analysis: body and glaze, crystalline and amorphous phases can be identified, including the nanosized pigments colouring the glaze. Last generation instruments are portable…
Interpreting spectroscopy data is a critical bottleneck in automating chemical research and industrial characterization. Particularly within infrared (IR) spectroscopy, identifying compounds in complex, liquid-phase chemical mixtures…
Recently proposed new method "Ethanol as Internal Standard" for determination of volatile compounds in alcohol products by gas chromatography (GC) is investigated from different sides including method testing on prepared standard solutions…
Identifying pathogens in complex samples such as blood, urine, and wastewater is critical to detect infection and inform optimal treatment. Surface-enhanced Raman spectroscopy (SERS) and machine learning (ML) can distinguish among multiple…
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…
Surface enhanced Raman spectroscopy, is a technique of fundamental importance to analytical science and technology where the amplified Raman spectrum of analytes is used for chemical fingerprinting. Here, we showcase an engineered…
We introduce an optimized protocol of fracture pattern classification using an artificial neural network to identify the solvent involved in the desiccation cracking process of starch-liquid slurries, even after it has been completely…
Time-resolved spectral techniques play an important analysis tool in many contexts, from physical chemistry to biomedicine. Customarily, the label-free detection of analytes is manually performed by experts through the aid of classic…
Deep learning models can generate virtual immunohistochemistry (IHC) stains from hematoxylin and eosin (H&E) images, offering a scalable and low-cost alternative to laboratory IHC. However, reliable evaluation of image quality remains a…
The new methodical approach of using ethanol as internal standard in gas chromatographic analysis of volatile compounds in spirit drinks in daily practice of testing laboratories is proposed. This method provides determination of volatile…
A major unaddressed challenge for food science remains the accurate characterisation of contents in sealed containers with a non-invasive method. This issue is particularly pressing for tackling fraud in the red wine industry, valued at…
We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties. The scheme is based on resampling, with multiple models…
Handwriting recognition technology allows recognizing a written text from a given data. The recognition task can target letters, symbols, or words, and the input data can be a digital image or recorded by various sensors. A wide range of…
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…
Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…
The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…
Raman spectroscopy is a useful experimental tool to investigate local deformation and structural changes in SiO$_2$-based glasses. Using a semi-classical modelling of Raman spectra in large samples of silica glasses, we show in this paper…
Flexible manufacturing systems in Industry 4.0 require robots capable of handling objects in unstructured environments without rigid positioning constraints. This paper presents a computer vision system that enables industrial robots to…
In industrial manufacturing of glass bottles, quality control of bottle prints is necessary as numerous factors can negatively affect the printing process. Even minor defects in the bottle prints must be detected despite reflections in the…
It is crucial for the wine industry to have methods like electronic nose systems (E-Noses) for real-time monitoring thresholds of acetic acid in wines, preventing its spoilage or determining its quality. In this paper, we prove that the…