Spectrum adapted expectation-conditional maximization algorithm for extending high–throughput peak separation method in XPS analysis

Matsumura, Takuya; Nagamura, Naoka; Akaho, Shotaro; Nagata, Kenji; Ando, Yasunobu

doi:10.1080/27660400.2021.1899449

Cited by 8 publications

(4 citation statements)

References 37 publications

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“…The peak fitting was performed using the spectrum-adapted ECM algorithm. − This algorithm is a method for efficient and stable peak fitting based on the ECM algorithm, which is a generalized expectation maximization algorithm. , Iterative expectation and conditional maximization calculations were performed using the intensity of the spectrum as the weight of the corresponding measurement step. The advantages of the spectrum-adapted ECM algorithm include a monotonous increase and convergence of likelihood and sufficient speed for practical peak fitting . Furthermore, the spectrum-adapted ECM algorithm can be applied to various fitting models. , The fitting procedure is described in the Supporting Information…”

Section: Methodsmentioning

confidence: 99%

“…The advantages of the spectrum-adapted ECM algorithm include a monotonous increase and convergence of likelihood and sufficient speed for practical peak fitting . Furthermore, the spectrum-adapted ECM algorithm can be applied to various fitting models. , The fitting procedure is described in the Supporting Information…”

Section: Methodsmentioning

confidence: 99%

“…48 Furthermore, the spectrum-adapted ECM algorithm can be applied to various fitting models. 48,49 The fitting procedure is described in the Supporting Information 2.4.1. Fitting Model.…”

Section: Baseline Estimation and Denoising Using Sparsitymentioning

confidence: 99%

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High-Throughput Calibration-Free Laser-Induced Breakdown Spectroscopy

Matsumura,

Takahashi,

Nagata

et al. 2024

ACS Earth Space Chem.

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Laser-induced breakdown spectroscopy (LIBS) offers a noninvasive, label-free technique for chemical analysis in challenging environments, including for deep-sea mineral resource evaluation and extra-terrestrial geology. We aim to improve the usefulness of LIBS spectral analysis in these applications. We propose an efficient, systematic procedure that uses calibration-free LIBS (CF-LIBS) to quantitatively estimate chemical compositions. This method combines baseline estimation and denoising using sparsity with the spectrum-adapted expectation−conditional maximization algorithm, enabling nonlinear background subtraction and high-throughput peak fitting. In addition, we introduce a Boltzmann plot regression based on Student's t-distribution that is robust against outliers. These techniques allow the chemical composition of metal and rock samples to be estimated using the CF-LIBS method, demonstrating its potential for use in comprehensive geological surveys in deep-sea and extra-terrestrial environments.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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High-Throughput Calibration-Free Laser-Induced Breakdown Spectroscopy

Matsumura,

Takahashi,

Nagata

et al. 2024

ACS Earth Space Chem.

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“…These unresolved peaks analysis methods include indirect hard modeling [5], partial least squares [6], reinforcement learning [7], machine learning [8], expectationconditional maximization [9], sum of Gaussian [10], and signal shape-based method [11]. These unresolved peaks analysis methods were used for the analysis of spectra [5], voltammetry [6], differential scanning calorimetry [7], [8], X-ray photoelectron spectroscopy [9], eddy current [10], and electrocardiogram [11]. Despite the high accuracy, these methods are difficult to use for the analysis of ME peaks because they were developed for specific signals.…”

mentioning

confidence: 99%

A Novel Unresolved Peaks Analysis Algorithm for ME Signal Detection Based on Improved SMA

Liu

Wang

et al. 2023

IEEE Trans. Instrum. Meas.

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Microchip electrophoresis (ME) is an ion detection system with low cost and portability, which is suitable for online analysis of environmental samples. However, the unresolved peaks in the detection signal of complex samples seriously affect the measurement accuracy of sample concentration. In this article, an efficient unresolved peaks analysis algorithm is proposed, which is based on the sigmoidal membership function, Lévy flight, and slime mould algorithm (SLSMA). First, the hyperbolic tangent function in the original slime mould algorithm (SMA) is replaced by the sigmoidal membership function to enhance the global optimization capability. Second, we use the Lévy flight sequences to further enhance the convergence speed of the SMA algorithm. Then, the performance of SLSMA is tested using synthetic peaks with different resolutions and noise levels. Finally, ME peaks are used to further validate the application of the proposed algorithm. The results show that the proposed algorithm has higher computational efficiency and can be used for the analysis of ME peaks.

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Growth of MoS2–Nb-doped MoS2 lateral homojunctions: A monolayer p–n diode by substitutional doping

et al. 2021

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Monolayer transition metal dichalcogenides (TMDs) have been considered as promising materials for various next-generation semiconductor devices. However, carrier doping techniques for TMDs, which are important for device fabrication, have not been completely established yet. Here, we report a monolayer p–n junction formed using in situ substitutional doping during chemical vapor deposition (CVD). We synthesized monolayer MoS2–Nb-doped MoS2 lateral homojunctions using CVD and then characterized their physical and electrical properties. The optimized growth condition enabled us to obtain spatially selective and heavy Nb doping in the edge region of a single-crystalline MoS2, thus resulting in an obvious work function difference between the inner and edge regions of the crystal. The obtained monolayer crystal demonstrated n-type and degenerate p-type semiconducting behaviors in each region, and a clear rectifying behavior across the n-type and p-type interface was observed. We believe that the results obtained can expand the research field of exploring two-dimensional homo p–n junctions, which can be important for realizing various TMD-based devices, such as diodes and field-effect transistors, with low-contact resistance.

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Spectrum adapted expectation-conditional maximization algorithm for extending high–throughput peak separation method in XPS analysis

Cited by 8 publications

References 37 publications

High-Throughput Calibration-Free Laser-Induced Breakdown Spectroscopy

High-Throughput Calibration-Free Laser-Induced Breakdown Spectroscopy

A Novel Unresolved Peaks Analysis Algorithm for ME Signal Detection Based on Improved SMA

Growth of MoS2–Nb-doped MoS2 lateral homojunctions: A monolayer p–n diode by substitutional doping

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