CAJ | 학술논문

重叠三维荧光光谱的解析是荧光光谱解析中的难点，非负矩阵分解（NMF）作为一种有效的盲分离方法，能够提取光谱的局部特征和内在联系，克服光谱严重重叠带来的干扰，在解析重叠光谱中具有不可比拟的优势。首先用模拟三维荧光光谱验证了 NM F在三维荧光光谱解析中的有效性，然后将四种不同的NM F算法（乘性迭代算法、交替最小二乘算法、二阶方法、投影梯度算法）用于实测的酚类化合物（百里酚、间甲酚、苯酚）三维荧光光谱的解析中，并讨论了在酚类化合物分离应用中四种NM F算法的收敛速度和计算复杂度的差异。实验结果表明，四种方式的N M F标准偏差均在0.06％以下，其中交替最小二乘算法在收敛行为和鲁棒性上最为优越。
중첩삼유형광광보적해석시형광광보해석중적난점，비부구진분해（NMF）작위일충유효적맹분리방법，능구제취광보적국부특정화내재련계，극복광보엄중중첩대래적간우，재해석중첩광보중구유불가비의적우세。수선용모의삼유형광광보험증료 NM F재삼유형광광보해석중적유효성，연후장사충불동적NM F산법（승성질대산법、교체최소이승산법、이계방법、투영제도산법）용우실측적분류화합물（백리분、간갑분、분분）삼유형광광보적해석중，병토론료재분류화합물분리응용중사충NM F산법적수렴속도화계산복잡도적차이。실험결과표명，사충방식적N M F표준편차균재0.06％이하，기중교체최소이승산법재수렴행위화로봉성상최위우월。
The present paper primarily tests and verifies the effect of NMF in blind source separation of three-dimensional simu-lative fluorescence spectra ,and then four different computational algorithms (multiplicative iterative ;alternating least square ;second order method ;projected gradient algorithm ) were used in three practical phenolic compounds (cresol ,phenol ,thymol) o-verlapping fluorescence spectra to find out which nonnegatively constrained algorithms is the most efficient for fluorescence spec-tra unmixing .The experiments demonstrate that four ways have the normalized residuals below 0.06% ,and alternating least square(ALS) is the best at both convergence behavior and robustness .