Novel Graph Topology Learning for Spatio-Temporal Analysis of COVID-19 Spread.

This article presents a new graph-learning technique to accurately infer the graph structure of COVID-19 data, helping to reveal the correlation of pandemic dynamics among different countries and identify influential countries for pandemic response analysis. The new technique estimates the graph Laplacian of the COVID-19 data by first deriving analytically its precise eigenvectors, also known as graph Fourier transform (GFT) basis. Given the eigenvectors, the eigenvalues of the graph Laplacian are readily estimated using convex optimization. With the graph Laplacian, we analyze the confirmed cases of different COVID-19 variants among European countries based on centrality measures and identify a different set of the most influential and representative countries from the current techniques. The accuracy of the new method is validated by repurposing part of COVID-19 data to be the test data and gauging the capability of the method to recover missing test data, showing 33.3% better in root mean squared error (RMSE) and 11.11% better in correlation of determination than existing techniques. The set of identified influential countries by the method is anticipated to be meaningful and contribute to the study of COVID-19 spread.

RAFFT: Efficient prediction of RNA folding pathways using the fast Fourier transform.

We propose a novel heuristic to predict RNA secondary structure formation pathways that has two components: (i) a folding algorithm and (ii) a kinetic ansatz. This heuristic is inspired by the kinetic partitioning mechanism, by which molecules follow alternative folding pathways to their native structure, some much faster than others. Similarly, our algorithm RAFFT starts by generating an ensemble of concurrent folding pathways ending in multiple metastable structures, which is in contrast with traditional thermodynamic approaches that find single structures with minimal free energies. When we constrained the algorithm to predict only 50 structures per sequence, near-native structures were found for RNA molecules of length ≤ 200 nucleotides. Our heuristic has been tested on the coronavirus frameshifting stimulation element (CFSE): an ensemble of 68 distinct structures allowed us to produce complete folding kinetic trajectories, whereas known methods require evaluating millions of sub-optimal structures to achieve this result. Thanks to the fast Fourier transform on which RAFFT (RNA folding Algorithm wih Fast Fourier Transform) is based, these computations are efficient, with complexity [Formula: see text].

MALDI(+) FT-ICR Mass Spectrometry (MS) Combined with Machine Learning toward Saliva-Based Diagnostic Screening for COVID-19.

Rapid identification of existing respiratory viruses in biological samples is of utmost importance in strategies to combat pandemics. Inputting MALDI FT-ICR MS (matrix-assisted laser desorption/ionization Fourier-transform ion cyclotron resonance mass spectrometry) data output into machine learning algorithms could hold promise in classifying positive samples for SARS-CoV-2. This study aimed to develop a fast and effective methodology to perform saliva-based screening of patients with suspected COVID-19, using the MALDI FT-ICR MS technique with a support vector machine (SVM). In the method optimization, the best sample preparation was obtained with the digestion of saliva in 10 µL of trypsin for 2 h and the MALDI analysis, which presented a satisfactory resolution for the analysis with 1 M. SVM models were created with data from the analysis of 97 samples that were designated as SARS-CoV-2 positives versus 52 negatives, confirmed by RT-PCR tests. SVM1 and SVM2 models showed the best results. The calibration group obtained 100% accuracy, and the test group 95.6% (SVM1) and 86.7% (SVM2). SVM1 selected 780 variables and has a false negative rate (FNR) of 0%, while SVM2 selected only two variables with a FNR of 3%. The proposed methodology suggests a promising tool to aid screening for COVID-19.

Questioning the seasonality of SARS-COV-2: a Fourier spectral analysis.

OBJECTIVES: To investigate the hypothesis of a seasonal periodicity, driven by climate, in the contagion resurgence of COVID-19 in the period February 2020-December 2021. DESIGN: An observational study of 30 countries from different geographies and climates. For each country, a Fourier spectral analysis was performed with the series of the daily SARS-CoV-2 infections, looking for peaks in the frequency spectrum that could correspond to a recurrent cycle of a given length. SETTINGS: Public data of the daily SARS-CoV-2 infections from 30 different countries and five continents. PARTICIPANTS: Only publicly available data were utilised for this study, patients and/or the public were not involved in any phase of this study. RESULTS: All the 30 investigated countries have seen the recurrence of at least one COVID-19 wave, repeating over a period in the range 3-9 months, with a peak of magnitude at least half as large as that of the highest peak ever experienced since the beginning of the pandemic until December 2021. The distance in days between the two highest peaks in each country was computed and then averaged over the 30 countries, yielding a mean of 190 days (SD 100). This suggests that recurrent outbreaks may repeat with cycles of different lengths, without a precisely predictable seasonality of 1 year. CONCLUSION: Our findings suggest that COVID-19 outbreaks are likely to occur worldwide, with cycles of repetition of variable lengths. The Fourier analysis of 30 different countries has not found evidence in favour of a seasonality that recurs over 1year period, solely or with a precisely fixed periodicity.

Extracted features of national and continental daily biweekly growth rates of confirmed COVID-19 cases and deaths via Fourier analysis.

AIMS: By associating features with orthonormal bases, we analyse the values of the extracted features for the daily biweekly growth rates of COVID-19 confirmed cases and deaths on national and continental levels. METHODS: By adopting the concept of Fourier coefficients, we analyse the inner products with respect to temporal and spatial frequencies on national and continental levels. The input data are the global time series data with 117 countries over 109 days on a national level; and 6 continents over 447 days on a continental level. Next, we calculate the Euclidean distance matrices and their average variabilities, which measure the average discrepancy between one feature vector and all others. Then we analyse the temporal and spatial variabilities on a national level. By calculating the temporal inner products on a continental level, we derive and analyse the similarities between the continents. RESULTS: On the national level, the daily biweekly growth rates bear higher similarities in the time dimension than the ones in the space dimension. Furthermore, there exists a strong concurrency between the features for biweekly growth rates of cases and deaths. As far as the trends of the features are concerned, the features are stabler on the continental level, and less predictive on the national level. In addition, there are very high similarities between all the continents, except Asia. CONCLUSIONS: The features for daily biweekly growth rates of cases and deaths are extracted via orthonormal frequencies. By tracking the inner products for the input data and the orthonormal features, we could decompose the evolutionary results of COVID-19 into some fundamental frequencies. Though the frequency-based techniques are applied, the interpretation of the features should resort to other methods. By analysing the spectrum of the frequencies, we reveal hidden patterns of the COVID-19 pandemic. This would provide some preliminary research merits for further insightful investigations. It could also be used to predict future trends of daily biweekly growth rates of COVID-19 cases and deaths.

A diagnostic genomic signal processing (GSP)-based system for automatic feature analysis and detection of COVID-19.

Coronavirus Disease 2019 (COVID-19) is a sudden viral contagion that appeared at the end of last year in Wuhan city, the Chinese province of Hubei, China. The fast spread of COVID-19 has led to a dangerous threat to worldwide health. Also in the last two decades, several viral epidemics have been listed like the severe acute respiratory syndrome coronavirus (SARS-CoV) in 2002/2003, the influenza H1N1 in 2009 and recently the Middle East respiratory syndrome coronavirus (MERS-CoV) which appeared in Saudi Arabia in 2012. In this research, an automated system is created to differentiate between the COVID-19, SARS-CoV and MERS-CoV epidemics by using their genomic sequences recorded in the NCBI GenBank in order to facilitate the diagnosis process and increase the accuracy of disease detection in less time. The selected database contains 76 genes for each epidemic. Then, some features are extracted like a discrete Fourier transform (DFT), discrete cosine transform (DCT) and the seven moment invariants to two different classifiers. These classifiers are the k-nearest neighbor (KNN) algorithm and the trainable cascade-forward back propagation neural network where they give satisfying results to compare. To evaluate the performance of classifiers, there are some effective parameters calculated. They are accuracy (ACC), F1 score, error rate and Matthews correlation coefficient (MCC) that are 100%, 100%, 0 and 1, respectively, for the KNN algorithm and 98.89%, 98.34%, 0.0111 and 0.9754, respectively, for the cascade-forward network.

Unwrapping the phase portrait features of adventitious crackle for auscultation and classification: a machine learning approach.

The paper delves into the plausibility of applying fractal, spectral, and nonlinear time series analyses for lung auscultation. The thirty-five sound signals of bronchial (BB) and pulmonary crackle (PC) analysed by fast Fourier transform and wavelet not only give the details of number, nature, and time of occurrence of the frequency components but also throw light onto the embedded air flow during breathing. Fractal dimension, phase portrait, and sample entropy help in divulging the greater randomness, antipersistent nature, and complexity of airflow dynamics in BB than PC. The potential of principal component analysis through the spectral feature extraction categorises BB, fine crackles, and coarse crackles. The phase portrait feature-based supervised classification proves to be better compared to the unsupervised machine learning technique. The present work elucidates phase portrait features as a better choice of classification, as it takes into consideration the temporal correlation between the data points of the time series signal, and thereby suggesting a novel surrogate method for the diagnosis in pulmonology. The study suggests the possible application of the techniques in the auscultation of coronavirus disease 2019 seriously affecting the respiratory system.

Fourier analysis using the number of COVID-19 daily deaths in the US.

Fourier analysis can provide policymakers useful information for analysing the pandemic behaviours. This paper proposes a Fourier analysis approach for examining the cycle length and the power spectrum of the pandemic by converting the number of deaths due to coronavirus disease 2019 in the US to the frequency domain. Policymakers can control the pandemic by using observed cycle length whether they should strengthen their policy or not. The proposed Fourier method is useful for analysing waves in other medical applications.

Quick determination and discrimination of commercial hand sanitisers using attenuated total reflectance-Fourier transform infrared spectroscopy and chemometrics.

Due to the outbreak of the COVID-19 pandemic, practicing personal hygiene such as frequent hand sanitising has become a norm. The making of effective hand sanitiser products should follow the recommended formulations, but the high demand worldwide for such affordable products could have made them a candidate for counterfeiting, thus deserving forensic determination and profiling for source determination or supply chain tracing. In this study, determination and discrimination of hand sanitisers was carried out by employing attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy combined with chemometrics. Fifty commercially available hand sanitisers were obtained from the market and analysed. ATR-FTIR profiles of each sanitiser were compared and decomposed by principal component analysis (PCA) followed by linear discriminant analysis (LDA). Physical observation enabled the discrimination of seven samples based on their respective colours, the presence of beads and their colours, and the physical forms of formulations. Subsequently, eight distinct patterns were observed through visual comparison of ATR-FTIR profiles of the remaining 43 samples. An initial unsupervised exploratory PCA model indicated the separation of two main groups with ATR-FTIR profiles similar to those of ethanol and isopropanol, respectively. The PCA score-LDA model provided good predictions, with a 100% correct classification into eight different groups. In conclusion, this study demonstrated a quick determination and discrimination of hand sanitiser samples, allowing screening for any restricted components and sample-to-sample comparison.

A non-parametric method for determining epidemiological reproduction numbers.

In the spreading of infectious diseases, an important number to determine is how many other people will be infected on average by anyone who has become infected themselves. This is known as the reproduction number. This paper describes a non-parametric inverse method for extracting the full transfer function of infection, of which the reproduction number is the integral. The method is demonstrated by applying it to the timeline of hospitalisation admissions for covid-19 in the Netherlands up to May 20 2020, which is publicly available from the site of the Dutch National Institute of Public Health and the Environment (rivm.nl).

FSC-Q: a CryoEM map-to-atomic model quality validation based on the local Fourier shell correlation.

In recent years, advances in cryoEM have dramatically increased the resolution of reconstructions and, with it, the number of solved atomic models. It is widely accepted that the quality of cryoEM maps varies locally; therefore, the evaluation of the maps-derived structural models must be done locally as well. In this article, a method for the local analysis of the map-to-model fit is presented. The algorithm uses a comparison of two local resolution maps. The first is the local FSC (Fourier shell correlation) between the full map and the model, while the second is calculated between the half maps normally used in typical single particle analysis workflows. We call the quality measure "FSC-Q", and it is a quantitative estimation of how much of the model is supported by the signal content of the map. Furthermore, we show that FSC-Q may be helpful to detect overfitting. It can be used to complement other methods, such as the Q-score method that estimates the resolvability of atoms.