Application of adaptive chaotic dung beetle optimization algorithm to near-infrared spectral model transfer.

A new transfer approach was proposed to share calibration models of the hexamethylenetetramine-acetic acid solution for studying hexamethylenetetramine concentration values across different near-infrared (NIR) spectrometers. This approach combines Savitzky-Golay first derivative (S_G_1) and orthogonal signal correction (OSC) preprocessing, along with feature variable optimization using an adaptive chaotic dung beetle optimization (ACDBO) algorithm. The ACDBO algorithm employs tent chaotic mapping and a nonlinear decreasing strategy, enhancing the balance between global and local search capabilities and increasing population diversity to address limitations observed in traditional dung beetle optimization (DBO). Validated using the CEC-2017 benchmark functions, the ACDBO algorithm demonstrated superior convergence speed, accuracy, and stability. In the context of a partial least squares (PLS) regression model for transferring hexamethylenetetramine-acetic acid solutions using NIR spectroscopy, the ACDBO algorithm excelled over alternative methods such as uninformative variable elimination, competitive adaptive reweighted sampling, cuckoo search, grey wolf optimizer, differential evolution, and DBO in efficiency, accuracy of feature variable selection, and enhancement of model predictive performance. The algorithm attained outstanding metrics, including a determination coefficient for the calibration set (Rc2) of 0.99999, a root mean square error for the calibration set (RMSEC) of 0.00195%, a determination coefficient for the validation set (Rv2) of 0.99643, a root mean squared error for the validation set (RMSEV) of 0.03818%, residual predictive deviation (RPD) of 16.72574. Compared to existing OSC, slope and bias correction (S/B), direct standardization (DS), and piecewise direct standardization (PDS) model transfer methods, the novel strategy enhances the accuracy and robustness of model predictions. It eliminates irrelevant background information about the hexamethylenetetramine concentration, thereby minimizing the spectral discrepancies across different instruments. As a result, this approach yields a determination coefficient for the prediction set (Rp2) of 0.96228, a root mean squared error for the prediction set (RMSEP) of 0.12462%, and a relative error rate (RER) of 17.62331, respectively. These figures closely follow those obtained using DS and PDS, which recorded Rp2, RMSEP, and RER values of 0.97505, 0.10135%, 21.67030, and 0.98311, 0.08339%, 26.33552, respectively. Unlike conventional methods such as OSC, S/B, DS, and PDS, this novel approach does not require the analysis of identical samples across different instruments. This characteristic significantly broadens its applicability for model transfer, which is particularly beneficial for transferring specific measurement samples.

Standardization method, testing scenario, and accuracy of the infrared prediction model affect the standardization accuracy of milk mid-infrared spectra.

The widespread use of milk mid-infrared (MIR) spectroscopy for phenotype prediction has urged the application of prediction models across regions and countries. Spectra standardization is the most effective way to reduce the variability in the spectral signal provided by different instruments and labs. This study aimed to develop different standardization models for MIR spectra collected by multiple instruments, across 2 provinces of China, and investigate whether the standardization method (piecewise direct standardization, PDS, and direct standardization, DS), testing scenario (standardization of spectra collected on the same day or after 7 mo), infrared prediction model accuracy (high or low), and instrument (6 instruments from 2 brands) affect the performance of the standardization model. The results showed that the determination coefficient (R2) between absorbance values at each wavenumber provided by the primary and the secondary instruments increased from less than 0.90 to nearly 1.00 after standardization. Both PDS and DS successfully reduced spectra variation among instruments, and performed significantly better than non-standardization (P < 0.05). However, DS was more prone to overfitting than PDS. Standardization accuracy was higher when tested using spectra collected on the same time compared with those collected 7 mo after (P < 0.05), but great improvement in model transferability was obtained for both scenarios compared with the non-standardized spectra. The less accurate infrared prediction model (for C8:0 and C10:0 content) benefited the most (P < 0.05) from spectra standardization compared with the more accurate model (for total fat and protein content). For spectra collected after 7 mo from standardization, after PDS the RMSE between predictions obtained by different machines decreased on average by 86 and 94% compared with the values before standardization, for C8:0 and C10:0 respectively. The secondary instrument had no significant effect on the R2 between predictions (P > 0.05). The variation in the spectral signal provided by different instruments was successfully reduced by standardization across 2 provinces in China. This study lays the foundations for developing a national MIR spectra database to provide consistent predictions across provinces to be used in dairy farm management and breeding programs in China. Besides, this provides opportunities for data exchange and cooperation at international levels.

Pulpwood holocellulose model transfer based on screening with consistent and stable signals algorithm.

In this study, in order to realize the sharing of the near-infrared analysis model of holocellulose between three spectral instruments of the same type, 84 pulp samples and their content of holocellulose were taken as the research objects. The effects of 10 pre-processing methods, such as 1st derivative (D1st), 2nd derivative (D2nd), multiplicative scatter correction (MSC), standard normal variable transformation (SNV), autoscaling, normalization, mean centering and pairwise combination, on the transfer effect of the stable wavelength selected by screening wavelengths with consistent and stable signals (SWCSS) were discussed. The results showed that the model established by the wavelength selected by the SWCSS algorithm after the autoscaling pre-processing method had the best analysis effect on the two target samples. Root mean square error of prediction (RMSEP) decreased from 2.4769 and 2.3119 before the model transfer to 1.2563 and 1.2384, respectively. Compared with the full-spectrum model, the value of AIC decreased from 3209.83 to 942.82. Therefore, the autoscaling pre-processing method combined with SWCSS algorithm can significantly improve the accuracy and efficiency of model transfer and provide help for the application of SWCSS algorithm in the rapid determination of pulp properties by near-infrared spectroscopy (NIRS).

In situ rapid evaluation method of quality of peach kernels based on near infrared spectroscopy.

This study aimed to perform a rapid in situ assessment of the quality of peach kernels using near infrared (NIR) spectroscopy, which included identifications of authenticity, species, and origins, and amygdalin quantitation. The in situ samples without any pretreatment were scanned by a portable MicroNIR spectrometer, while their powder samples were scanned by a benchtop Fourier transform NIR (FT-NIR) spectrometer. To improve the performance of the in situ determination model of the portable NIR spectrometer, the two spectrometers were first compared in identification and content models of peach kernels for both in situ and powder samples. Then, the in situ sample spectra were transferred by using the improved principal component analysis (IPCA) method to enhance the performance of the in situ model. After model transfer, the prediction performance of the in situ sample model was significantly improved, as shown by the correlation coefficient in the prediction set (Rp), root means square error of prediction (RMSEP), and residual prediction deviation (RPD) of the in situ model reached 0.9533, 0.0911, and 3.23, respectively, and correlation coefficient in the test set (Rt) and root means square error of test (RMSET) reached 0.9701 and 0.1619, respectively, suggesting that model transfer could be a viable solution to improve the model performance of portable spectrometers.

Nondestructive discrimination of Potentilla anserina L. from different production areas based on near-infrared spectroscopy.

INTRODUCTION: The traditional Chinese medicine (TCM) Potentilla anserina L. can use both as food and medicine. At present, the market mainly depends on experience to identify the species and determine the production areas of P. anserina. To ensure the quality of P. anserina, it is essential to improve the level of quality control. OBJECTIVE: We aimed to establish a rapid and nondestructive discrimination model to identify P. anserina from different production areas by near-infrared spectroscopy. METHODS: The spectra of complete P. anserina medicinal materials and their powder of the same variety from four production areas were collected, and principal component analysis discriminant analysis and partial least squares discriminant analysis (PLS-DA) were conducted based on different pretreatment methods and band selection methods. Then, the spectra of complete medicinal materials were converted into the spectra of medicinal powder for nondestructive identification. RESULTS: The correct recognition rate (CRR) of the PLS-DA discriminant model was the best after spectral preprocessing using autoscaling and competitive adaptive reweighted sampling for band selection. The CRRs of the calibration set and validation set were 100%, the CRRs of the external test set were 95%, 90%, 82%, and 88%, respectively, and the CRRs of the transfer external test set were 84%, 80%, 82%, and 86%, respectively. CONCLUSION: We realized the nondestructive and effective identification of P. anserina from different origins and laid a foundation for the industrialization and upgrading of TCM.

Nondestructive rapid identification of wild Cordyceps sinensis with portable instrument.

INTRODUCTION: Cordyceps sinensis (CS) is a precious medicinal fungus. Wild CS (WCS) and artificial CS (ACS) are destroyed for their identification using traditional methods, which are time consuming and labor-intensive. Therefore, it is crucial to establish a nondestructive identification method to rapidly screen WCS. OBJECTIVE: The aim of this study was to provide technical support for rapid screening of CS and evaluation of its quality. The applicability of the model was improved through model transfer. METHODS: In this study, continuous wavelet transform was used to analyze the differences in moisture content and active components between WCS and ACS from the perspective of characteristic molecular groups. A portable instrument and a laboratory benchtop instrument were used to determine CS spectra. Partial least squares discrimination analysis was conducted for the identification of WCS and ACS while preserving the original shape of CS. Moreover, improved principal component analysis was utilized to transfer the model between the two types of near-infrared spectroscopy (NIRS) instruments. RESULTS: The results demonstrated that three peaks, at 1443, 1941, and 2183 nm, were characteristic absorption peaks. The model based on NIRS could initially provide rapid differentiation between WCS and ACS. At the same time, the accuracy of the external test set was further improved to over 95% through forward transfer. CONCLUSION: Therefore, this method could be used for rapid screening of WCS and provides technical support for the nondestructive identification of CS and initial assessment of CS quality.

In-Field Implementation of Near-Infrared Quantitative Methods for Analysis of Medicines in Tropical Environments.

Near-infrared (NIR) spectroscopy is actually a well-established technique that demonstrates its performance in the frame of detection of poor-quality medicines. The use of low-cost handheld NIR spectrophotometers in low-resource contexts can allow an inexpensive and more rapid detection compared to laboratory methods. Considering these points, it was decided to develop, validate, and transfer methods for the quantification of ciprofloxacin and metronidazole tablet samples using a NIR handheld spectrophotometer in transmission mode (NIR-M-T1) coupled to chemometrics such as partial least squares regression (PLSR) algorithm. All of the models were validated with the total error approach using an accuracy profile as a decision tool, with ±10% specifications and a risk α set at 5%. Quantitative PLSR models were first validated in Belgium, which is a temperate oceanic climate zone. Second, they were transferred to Cameroon, a tropical climate zone, where issues regarding the prediction of new validation series with the initial models were highlighted. Two augmentation strategies were then envisaged to make the predictive models robust to environmental conditions, incorporating the potential variability linked to environmental effects in the initial calibration sets. The resulting models were then used for in-field analysis of ciprofloxacin and metronidazole tablet samples collected in three cities in Cameroon. The contents results obtained for each sample with the two strategies were close and not statistically different. Nevertheless, the first one is easier to implement and the second is the best regarding model diagnostic measures and accuracy profiles. Two samples were found to be noncompliant in terms of content, and these results were confirmed using high-performance liquid chromatography taken as the reference method.

Study on the transferability of the knowledge-based VMAT model to predict IMRT plans in prostate cancer radiotherapy.

OBJECTIVE: The aim of this study was to investigate the feasibility of VMAT library-derived model transfer in the prediction of IMRT plans by dosimetry comparison among with three groups of IMRT plans: two groups of automatic IMRT plans generated by the knowledge-based the volumetric modulated arc therapy (VMAT) model and intensity-modulated radiation therapy (IMRT) model and one group of manual IMRT plans. METHODS: 52 prostate cancer patients who had completed radiotherapy were selected and randomly divided into 2 groups with 40 and 12 separately. Then both VMAT and IMRT plans were manually designed for all patients. The total plans in the group with 40 cases as training datasets were added to the knowledge-based planning (KBP) models for learning and finally obtained VMAT and IMRT training models. Another 12 cases were selected as the validation group to be used to generated auto IMRT plans by KBP VMAT and IMRT models. At last, the radiotherapy plans from three groups were obtained: the automated IMRT plan (V-IMRT) predicted by the VMAT model, the automated IMRT plan (I-IMRT) predicted by the IMRT model and the manual IMRT plan (M-IMRT) designed before. The dosimetric parameters of planning target volume (PTV) and organ at risks (OARs) as well as the time parameters (monitor unit, MU) were statistically analyzed. RESULTS: The dose limit of all plans in the training datasets met the clinical requirements. Compared with the training plans added to VMAT model, the dosimetry parameters have no statistical differences in PTV (P > 0.05); the dose of X% volume (Dx%) with D25% and D35% in rectal and the maximum dose (Dmax) in the right femoral head were lower (P = 0.04, P = 0.01, P = 0.00) while D50% in rectal was higher (< 0.05) in the IMRT model plans. In the 12 validation cases, both automated plans showed better dose distribution compared with the M-IMRT plan: the Dmax of PTV in the I-IMRT plans and the dose in volume of interesting (VOI) of bladder and bilateral femoral heads were lower with a statistically significant difference (P < 0.05). Compared with the I-IMRT plans, dosimetric parameters in PTV and VOI of all OARs had no statistically significant differences (P > 0.05), but the Dmax in left femoral heard and D15% in the right femoral head were lower and have significant differences (P < 0.05). Furthermore, the low-dose regions, which was defined as all volumes outside of the PTV (RV) with the statistical parameters of mean dose (Dmean), the volume of covering more than 5 Gy dose (V5Gy), and also the time parameter (MU) required to perform the plan were considered. The results showed that Dmean in V-IMRT was smaller than that in the I-IMRT plan (P = 0.02) and there was no significant difference in V5Gy and MU (P > 0.05). CONCLUSION: Compared with the manual plan, the IMRT plans generated by the KBP models had a significant advantage in dose control of both OARs and PTV. Compared to the I-IMRT plans, the V-IMRT plans was not only without significant disadvantages, but it also achieved slightly better control of the low-dose region, which meet the clinical requirements and can used in the clinical treatment. This study demonstrates that it is feasible to transfer the KBP VMAT model in the prediction of IMRT plans.

Filling the data gaps: Transferring models from data-rich to data-poor deep-sea areas to support spatial management.

Spatial management of the deep sea is challenging due to limited available data on the distribution of species and habitats to support decision making. In the well-studied North Atlantic, predictive models of species distribution and habitat suitability have been used to fill data gaps and support sustainable management. In the South Atlantic and other poorly studied regions, this is not possible due to a massive lack of data. In this study, we investigated whether models constructed in data-rich areas can be used to inform data-poor regions (with otherwise similar environmental conditions). We used a novel model transfer approach to identify to what extent a habitat suitability model for Desmophyllum pertusum reef, built in a data-rich basin (North Atlantic), could be transferred usefully to a data-poor basin (South Atlantic). The transferred model was built using the Maximum Entropy algorithm and constructed with 227 presence and 3064 pseudo-absence points, and 200 m resolution environmental grids. Performance in the transferred region was validated using an independent dataset of D. pertusum presences and absences, with assessments made using both threshold-dependent and -independent metrics. We found that a model for D. pertusum reef fitted to North Atlantic data transferred reasonably well to the South Atlantic basin, with an area under the curve of 0.70. Suitable habitat for D. pertusum reef was predicted on 20 of the assessed 27 features including seamounts. Nationally managed Marine Protected Areas provide significant protection for D. pertusum reef habitat in the region, affording full protection from bottom trawling to 14 of the 20 suitable features. In areas beyond national jurisdiction (ABNJ), we found four seamounts that provided suitable habitat for D. pertusum reef to be at least partially protected from bottom trawling, whilst two did not fall within fisheries closures. There are factors to consider when developing models for transfer including data resolution and predictor type. Nevertheless, the promising results of this application demonstrate that model transfer approaches stand to provide significant contributions to spatial planning processes through provision of new, best available data. This is particularly true for ABNJ and areas that have previously undergone little scientific exploration such as the global south.

Model transfer from 2D to 3D study for boxing pose estimation.

Introduction: Boxing as a sport is growing on Chinese campuses, resulting in a coaching shortage. The human pose estimation technology can be employed to estimate boxing poses and teach interns to relieve the shortage. Currently, 3D cameras can provide more depth information than 2D cameras. It can potentially improve the estimation. However, the input channels are inconsistent between 2D and 3D images, and there is a lack of detailed analysis about the key point location, which indicates the network design for improving the human pose estimation technology. Method: Therefore, a model transfer with channel patching was implemented to solve the problems of channel inconsistency. The differences between the key points were analyzed. Three popular and highly structured 2D models of OpenPose (OP), stacked Hourglass (HG), and High Resolution (HR) networks were employed. Ways of reusing RGB channels were investigated to fill up the depth channel. Then, their performances were investigated to find out the limitations of each network structure. Results and discussion: The results show that model transfer learning by the mean way of RGB channels patching the lacking channel can improve the average accuracies of pose key points from 1 to 20% than without transfer. 3D accuracies are 0.3 to 0.5% higher than 2D baselines. The stacked structure of the network shows better on hip and knee points than the parallel structure, although the parallel design shows much better on the residue points. As a result, the model transfer can practically fulfill boxing pose estimation from 2D to 3D.

Developing a Formulation Strategy Coupled with PBPK Modeling and Simulation for the Weakly Basic Drug Albendazole.

Albendazole (ABZ) is a weakly basic drug that undergoes extensive presystemic metabolism after oral administration and converts to its active form albendazole sulfoxide (ABZ_SO). The absorption of albendazole is limited by poor aqueous solubility, and dissolution is the rate-limiting step in the overall exposure of ABZ_SO. In this study, PBPK modeling was used to identify formulation-specific parameters that impact the oral bioavailability of ABZ_SO. In vitro experiments were carried out to determine pH solubility, precipitation kinetics, particle size distribution, and biorelevant solubility. A transfer experiment was conducted to determine the precipitation kinetics. A PBPK model for ABZ and ABZ_SO was developed using the Simcyp™ Simulator based on parameter estimates from in vitro experiments. Sensitivity analyses were performed to assess the impact of physiological parameters and formulation-related parameters on the systemic exposure of ABZ_SO. Model simulations predicted that increased gastric pH significantly reduced ABZ absorption and, subsequently, ABZ_SO systemic exposure. Reducing the particle size below 50 µm did not improve the bioavailability of ABZ. Modeling results illustrated that systemic exposure of ABZ_SO was enhanced by increasing solubility or supersaturation and decreasing the drug precipitation of ABZ at the intestinal pH level. These results were used to identify potential formulation strategies to enhance the oral bioavailability of ABZ_SO.

Standardization of near infrared spectroscopies via sample spectral correlation equalization.

A novel method for near-infrared (NIR) spectroscopy spectra standardization is presented. NIR spectroscopies have been widely used in analytical chemistry, and many methods have been developed for NIR spectra standardization. To establish a robust standardization transformation, most existing methods require spectral data sets from both primal and secondary instruments for 1-1 correspondence validation. However, this limits the usage of standardization methods. This paper investigates an interesting issue, "Can spectra data in sets be arbitrarily order?" and further develops a completely different approach from existing methods in view of statistical signal processing. The key idea is to first compensate for the distortion along the wavelength and intensity of the spectra, and then transfer the second order statistic (2OS) from the primal spectra to the secondary spectra via data sphering and an inverse sphering transform so that the 2OS can be estimated regardless of the sample statistic order. To further demonstrate how the developed method can extend the usage of the NIR spectra standardization, several application-driven experiments on classification and regression are conducted for demonstration, and a comparison to the piecewise direct standardization (PDS) is also studied.

A Model Transfer Method among Spectrometers Based on Improved Deep Autoencoder for Concentration Determination of Heavy Metal Ions by UV-Vis Spectra.

Ultraviolet Visible (UV-Vis) spectroscopy detection technology has been widely used in quantitative analysis for its advantages of rapid and non-destructive determination. However, the difference of optical hardware severely restricts the development of spectral technology. Model transfer is one of the effective methods to establish models on different instruments. Due to the high dimension and nonlinearity of spectral data, the existing methods cannot effectively extract the hidden differences in spectra of different spectrometers. Thus, based on the necessity of spectral calibration model transfer between the traditional large spectrometer and the micro-spectrometer, a novel model transfer method based on improved deep autoencoder is proposed to realize spectral reconstruction between different spectrometers. Firstly, two autoencoders are used to train the spectral data of the master and slave instrument, respectively. Then, the hidden variable constraint is added to enhance the feature representation of the autoencoder, which makes the two hidden variables equal. Combined with a Bayesian optimization algorithm for the objective function, the transfer accuracy coefficient is proposed to characterize the model transfer performance. The experimental results show that after model transfer, the spectrum of the slave spectrometer is basically coincident with the master spectrometer and the wavelength shift is eliminated. Compared with the two commonly used direct standardization (DS) and piecewise direct standardization (PDS) algorithms, the average transfer accuracy coefficient of the proposed method is improved by 45.11% and 22.38%, respectively, when there are nonlinear differences between different spectrometers.

Being Bayesian in the 2020s: opportunities and challenges in the practice of modern applied Bayesian statistics.

Building on a strong foundation of philosophy, theory, methods and computation over the past three decades, Bayesian approaches are now an integral part of the toolkit for most statisticians and data scientists. Whether they are dedicated Bayesians or opportunistic users, applied professionals can now reap many of the benefits afforded by the Bayesian paradigm. In this paper, we touch on six modern opportunities and challenges in applied Bayesian statistics: intelligent data collection, new data sources, federated analysis, inference for implicit models, model transfer and purposeful software products. This article is part of the theme issue 'Bayesian inference: challenges, perspectives, and prospects'.

Transfer performance of gated recurrent unit model for runoff prediction based on the comprehensive spatiotemporal similarity of catchments.

Accurate runoff prediction in data-poor catchments is important for water resource management, flood mitigation, environmental protection, and other tasks. One possible solution is to transfer a runoff prediction model constructed by using a machine learning model for gauged catchments to data-poor catchments. However, the transfer of runoff prediction model must consider the comprehensive spatiotemporal similarities between the catchments; otherwise, the transfer performance can be massively uncertain. Therefore, to improve the accuracy of runoff prediction and eliminate the uncertainty in identifying the differences between catchment environments, this paper proposes a novel measurement approach of comprehensive spatiotemporal similarity. This approach measures the similarities among catchments by fully considering which of the various catchments' spatiotemporal attributes can better represent the geographical similarity. Then, according to the similarities between the catchments, a runoff prediction model trained in gauged catchments is transformed for the most similar data-poor catchments to predict the runoff and the transfer performance is analyzed. To this end, a runoff prediction model is built using a gated recurrent unit (GRU) network based on the CAMELS catchments data set. A framework to extract the comprehensive spatiotemporal features of catchments is designed using three autoencoders. The catchments' similarities can be measured, further, and their spatiotemporal attributes determined once a measurement model of comprehensive spatiotemporal similarity is constructed. Finally, the transfer performance of the GRU runoff prediction model based on comprehensive spatiotemporal and other geographical similarities is evaluated and analyzed. The experimental results demonstrate that the proposed method outperforms comparable approaches.

TransMUSE: Transferable Traffic Prediction in MUlti-Service Edge Networks.

The Covid-19 pandemic has forced the workforce to switch to working from home, which has put significant burdens on the management of broadband networks and called for intelligent service-by-service resource optimization at the network edge. In this context, network traffic prediction is crucial for operators to provide reliable connectivity across large geographic regions. Although recent advances in neural network design have demonstrated potential to effectively tackle forecasting, in this work we reveal based on real-world measurements that network traffic across different regions differs widely. As a result, models trained on historical traffic data observed in one region can hardly serve in making accurate predictions in other areas. Training bespoke models for different regions is tempting, but that approach bears significant measurement overhead, is computationally expensive, and does not scale. Therefore, in this paper we propose TransMUSE (Transferable Traffic Prediction in MUlti-Service Edge Networks), a novel deep learning framework that clusters similar services, groups edge-nodes into cohorts by traffic feature similarity, and employs a Transformer-based Multi-service Traffic Prediction Network (TMTPN), which can be directly transferred within a cohort without any customization. We demonstrate that TransMUSE exhibits imperceptible performance degradation in terms of mean absolute error (MAE) when forecasting traffic, compared with settings where a model is trained for each individual edge node. Moreover, our proposed TMTPN architecture outperforms the state-of-the-art, achieving up to 43.21% lower MAE in the multi-service traffic prediction task. To the best of our knowledge, this is the first work that jointly employs model transfer and multi-service traffic prediction to reduce measurement overhead, while providing fine-grained accurate demand forecasts for edge services provisioning.

Study on the application of model transfer technology in the extraction process of Xiao'er Xiaoji Zhike oral liquid / 药学学报

The modernization and development of traditional Chinese medicine has led to higher standards for the quality of traditional Chinese medicine products. The extraction process is a crucial component of traditional Chinese medicine production, and it directly impacts the final quality of the product. However, the currently relied upon methods for quality assurance of the extraction process, such as simple wet chemical analysis, have several limitations, including time consumption and labor intensity, and do not offer precise control of the extraction process. As a result, there is significant value in incorporating near-infrared spectroscopy (NIRS) in the production process of traditional Chinese medicine to improve the quality control of the final products. In this study, we focused on the extraction process of Xiao'er Xiaoji Zhike oral liquid (XXZOL), using near-infrared spectra collected by both a Fourier transform near-infrared spectrometer and a portable near-infrared spectrometer. We used the concentration of synephrine, a quality control index component specified by the pharmacopoeia, to achieve rapid and accurate detection in the extraction process. Moreover, we developed a model transfer method to facilitate the transfer of models between the two types of near-infrared spectrometers (analytical grade and portable), thus resolving the low resolution, poor performance, and insufficient prediction accuracy issues of portable instruments. Our findings enable the rapid screening and quality analysis of XXZOL onsite, which is significant for quality monitoring during the traditional Chinese medicine production process.

Guidelines for model adaptation: A study of the transferability of a general seagrass ecosystem Dynamic Bayesian Networks model.

In general, it is not feasible to collect enough empirical data to capture the entire range of processes that define a complex system, either intrinsically or when viewing the system from a different geographical or temporal perspective. In this context, an alternative approach is to consider model transferability, which is the act of translating a model built for one environment to another less well-known situation. Model transferability and adaptability may be extremely beneficial-approaches that aid in the reuse and adaption of models, particularly for sites with limited data, would benefit from widespread model uptake. Besides the reduced effort required to develop a model, data collection can be simplified when transferring a model to a different application context. The research presented in this paper focused on a case study to identify and implement guidelines for model adaptation. Our study adapted a general Dynamic Bayesian Networks (DBN) of a seagrass ecosystem to a new location where nodes were similar, but the conditional probability tables varied. We focused on two species of seagrass (Zostera noltei and Zostera marina) located in Arcachon Bay, France. Expert knowledge was used to complement peer-reviewed literature to identify which components needed adjustment including parameterization and quantification of the model and desired outcomes. We adopted both linguistic labels and scenario-based elicitation to elicit from experts the conditional probabilities used to quantify the DBN. Following the proposed guidelines, the model structure of the general DBN was retained, but the conditional probability tables were adapted for nodes that characterized the growth dynamics in Zostera spp. population located in Arcachon Bay, as well as the seasonal variation on their reproduction. Particular attention was paid to the light variable as it is a crucial driver of growth and physiology for seagrasses. Our guidelines provide a way to adapt a general DBN to specific ecosystems to maximize model reuse and minimize re-development effort. Especially important from a transferability perspective are guidelines for ecosystems with limited data, and how simulation and prior predictive approaches can be used in these contexts.

Chemometrics for Raman Spectroscopy Harmonization.

Raman spectroscopy is used in a wide variety of fields, and in a plethora of different configurations. Raman spectra of simple analytes can often be analyzed using univariate approaches and interpreted in a straightforward manner. For more complex spetral data such as time series or line profiles (1D), Raman maps (2D), or even volumes (3D), multivariate data analysis (MVDA) becomes a requirement. Even though there are some existing standards for creation, implementation, and validation of methods and models employed in industry and academics, further research and development in the field must contribute to their improvement. This review will cover, in broad terms, existing techniques as well as new developments for MVDA for Raman spectroscopic data, and in particular the use associated with instrumentation and data calibration. Chemometric models are often generated via fusion of analytical data from different sources, which enhances model discrimination and prediction abilities as compared to models derived from a single data source. For Raman spectroscopy, raw or unprocessed data is rarely ever used. Instead, spectra are usually corrected and manipulated,1 often by case-specific rather than universal methods. Calibration models can be used to characterize qualitatively and/or quantitatively samples measured with the same instrumentation that was used to create the model. However, regular validation is required to ensure that aging or incorrect maintenance of the instrument does not alter the model's predictions, particularly when applied in regulated fields such as pharmaceuticals. Furthermore, a model transfer may be required for different reasons, such as replacement or significant repair of the instrumentation. Modeling can also be used to consistently harmonize Raman spectroscopic data across several instrumental designs, accounting for variations in the resulting spectrum induced by different components. Data for Raman harmonization models should be processed in a protocolled manner, and the original data accessible to allow for model reconstruction or transfer when new data is added. Important processing steps will be the calibration of the spectral axes and instrument dependent effects, such as spectral resolution. In addition, data fusion and model transfer are essential for allowing new instrumentation to build on existing models to harmonize their own data. Ideally, an open access database would be created and maintained, for the purpose of allowing for continued harmonization of new Raman instruments using an outlined and accepted protocol.

Elder emotion classification through multimodal fusion of intermediate layers and cross-modal transfer learning.

The objective of the work is to develop an automated emotion recognition system specifically targeted to elderly people. A multi-modal system is developed which has integrated information from audio and video modalities. The database selected for experiments is ElderReact, which contains 1323 video clips of 3 to 8 s duration of people above the age of 50. Here, all the six available emotions Disgust, Anger, Fear, Happiness, Sadness and Surprise are considered. In order to develop an automated emotion recognition system for aged adults, we attempted different modeling techniques. Features are extracted, and neural network models with backpropagation are attempted for developing the models. Further, for the raw video model, transfer learning from pretrained networks is attempted. Convolutional neural network and long short-time memory-based models were taken by maintaining the continuity in time between the frames while capturing the emotions. For the audio model, cross-model transfer learning is applied. Both the models are combined by fusion of intermediate layers. The layers are selected through a grid-based search algorithm. The accuracy and F1-score show that the proposed approach is outperforming the state-of-the-art results. Classification of all the images shows a minimum relative improvement of 6.5% for happiness to a maximum of 46% increase for sadness over the baseline results.