CN112818835A - Method for rapidly identifying and analyzing two-dimensional material by using machine learning method - Google Patents

Method for rapidly identifying and analyzing two-dimensional material by using machine learning method Download PDF

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CN112818835A
CN112818835A CN202110124919.1A CN202110124919A CN112818835A CN 112818835 A CN112818835 A CN 112818835A CN 202110124919 A CN202110124919 A CN 202110124919A CN 112818835 A CN112818835 A CN 112818835A
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郝玉峰
朱力
唐竞
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Abstract

The invention discloses a method for quickly identifying and analyzing materials by using a machine learning method, which comprises the following steps: step 1, shooting an optical microscope picture of a two-dimensional material; step 2, extracting RGB & HSV information of pixel points of the picture 50 multiplied by 50, and sending the RGB & HSV information into a built neural network for analyzing components and layers; in the step 2, the built neural network comprises an input layer, a hidden layer and an output layer which are sequentially connected from input to output, the input data is six parameters of RGB & HSV, the number of neurons in the four hidden layers is 256,1024,1024,256, each neuron in each hidden layer is a result obtained by adding the weights of all neurons in the previous layer and then performing a nonlinear activation function, and then the result is transmitted to the next layer for operation. The method for rapidly identifying and analyzing the two-dimensional materials by utilizing the machine learning method can realize accurate and rapid identification of various two-dimensional materials.

Description

Method for rapidly identifying and analyzing two-dimensional material by using machine learning method
Technical Field
The invention belongs to the technical field of artificial intelligence application, and particularly relates to a method for rapidly identifying and analyzing a two-dimensional material by using a machine learning method.
Background
Since the 2004 professor geom and professor Novoselov used tape to mechanically exfoliate graphene (graphene), researchers began to develop endless studies of the unique properties of two-dimensional materials. Such materials, which can be as thin as an atomic layer, exhibit excellent optical, electrical, thermal, and mechanical properties, and they often need to be integrated to be applied to optoelectronic devices, and thus, their effective identification and characterization on a substrate is of great importance. Conventional methods for characterizing two-dimensional materials are time consuming, and the instruments for characterization are expensive, such as raman spectroscopy, atomic force microscopy, transmission electron microscopy, etc., and need improvement.
Disclosure of Invention
The invention aims to provide a method for quickly identifying and analyzing two-dimensional materials by using a machine learning method, which can realize accurate and quick identification of various two-dimensional materials.
In order to achieve the above purpose, the solution of the invention is:
a method for rapidly identifying and analyzing materials using a machine learning method, comprising the steps of:
step 1, shooting an optical microscope picture of a two-dimensional material by using a 100-time lens of an optical microscope;
step 2, extracting RGB & HSV information of pixel points of the picture 50 multiplied by 50 by using an open source matplotlib module of Python 3.7, and sending the RGB & HSV information into a built neural network for analyzing components and layer number;
in the step 2, the built neural network comprises an input layer, a hidden layer and an output layer which are sequentially connected from input to output, the input data is RGB & HSV six parameters, the hidden layer is provided with four layers, the number of neurons of the four layers is 256,1024,1024,256, each neuron of each hidden layer is a result obtained by adding the weights of all neurons of the previous layer and then passing through a nonlinear activation function, and then the result is transmitted to the next layer for operation.
In the step 2, the analysis result output by the neural network contains one of the following 8 components: tungsten disulfide, molybdenum ditelluride, tungsten diselenide, molybdenum diselenide, graphene, hexagonal boron nitride (h-BN), Bi2Sr2CaCu2O8
In the step 2, the specific process of building the neural network is as follows:
s1, taking N groups of optical microscope pictures of 8 two-dimensional materials with the light intensity from the darkest to the brightest and the same interval change by using a 100-time lens of an optical microscope, wherein N is a natural number;
s2, determining the type and the layer number of each two-dimensional material by using Raman spectrum;
s3, extracting RGB & HSV information of pixel points of 50 x 50 of each material by using an open source matplotlib module of Python 3.7, sending the RGB & HSV information into a neural network, and training the neural network until a loss function is minimum;
and S4, testing the accuracy of the neural network by using the pictures in the test set, and adjusting the training times and the training rate until the accuracy meets the preset requirements, thereby obtaining the constructed neural network structure.
In step S1, N is set to 11.
In the step S1, when taking the optical microscope photograph, 8 kinds of two-dimensional materials are placed in N sets of light intensities varying at equal intervals from the darkest to the brightest to take the photograph.
In step S3, the open source matplotlib module of Python 3.7 is used to extract RGB & HSV information of a pixel point of 50 × 50 for each material, and the RGB & HSV information is calculated according to a formula of 4: 1, constructing a training set and a testing set, and sending information obtained from the training set into a neural network to train the neural network.
In the above step S3, the expression of the loss function L is as follows:
Figure RE-GDA0002995126320000021
wherein,
Figure RE-GDA0002995126320000022
representing the predicted value of the neural network, YiRepresenting the value represented by the true result.
After the scheme is adopted, the artificial neural network is combined with material science, the color space information (RGB & HSV) related to the reflectance spectrum in the pixel of the two-dimensional material optical microscope picture is used as input data, and a stable neural network which can be used for classifying different two-dimensional material optical microscope pictures is obtained through the training and learning of a computer, so that the average accuracy rate is up to 91%; in particular, even under different shooting light intensities, various two-dimensional materials can be accurately identified. The invention improves the representation efficiency of the two-dimensional material and is greatly helpful for promoting the manufacture of devices for basic research of the two-dimensional material.
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FIG. 1 is a flow chart of the present invention for training and testing ANNs;
FIG. 2 is a diagram of a neural network architecture in the present invention;
FIG. 3 is a graphical representation of the results of an experiment according to an embodiment of the present invention;
wherein (a) is an optical microscope picture of a two-dimensional material for testing, (b) is a result of identification of the ANN to fig. 3(a), (c) is an identification accuracy of the ANN to various two-dimensional materials;
FIG. 4 is a schematic diagram of the present invention for identifying two-dimensional material heterojunctions;
wherein (a) is the optical microscope picture of the heterojunction used for testing and ANN prediction result, and (b) is WS2Characteristic peak and MoS2Raman intensity integral of characteristic peaks.
Detailed Description
The technical solution and the advantages of the present invention will be described in detail with reference to the accompanying drawings.
The invention provides a method for quickly identifying and analyzing a two-dimensional material by using a machine learning method, which mainly adopts a deep learning algorithm, namely an artificial neural network and material scienceIn combination, chromatic values Red (R), Green (G), blue (B), hue (H), Saturration (S) and value (V) of pixel points of a two-dimensional material optical microscope picture are used as input neurons, nearly 1000 optical microscope pictures of different two-dimensional materials are used as data sets, 8 typical single-layer and double-layer two-dimensional materials (tungsten disulfide (WS) with different functions and prepared on a silicon substrate plated with 285 nanometer silicon oxide and prepared by using the optical microscope pictures are trained2) Molybdenum disulfide (MoS)2) Molybdenum ditelluride (2H-MoTe)2) Tungsten diselenide (2H-WSe)2) Molybdenum diselenide (2H-MoSe)2) Graphene (Graphene), hexagonal boron nitride (h-BN), Bi2Sr2CaCu2O8(BSCCO-2212) to achieve rapid and accurate identification and classification of two-dimensional materials.
The most central point of the invention lies in the construction of the artificial neural network structure, the construction process is shown in figure 1, and the method comprises the following steps:
s1, taking optical microscope pictures of 8 two-dimensional materials under N groups of light intensities by using 100 times lens of optical microscope (WITEC 300R Alpha), in this embodiment, 11 groups of light intensities are adopted, and taking optical microscope pictures of 8 two-dimensional materials under light intensities which are quantitatively changed from darkest to brightest at equal intervals;
s2, determining the type and the layer number of each two-dimensional material by using Raman spectrum;
s3, extracting RGB & HSV information of a pixel point of 50 × 50 for each material by using an open source matplotlib module of Python 3.7, where 2000 points form a training set, 500 points form a test set, the training information is sent to a neural network shown in fig. 2, the neural network is built by using a pytorch module, and includes an input layer, a hidden layer, and an output layer, which are sequentially connected from input to output, the input data are six parameters of RGB & HSV, the hidden layer is provided with four layers, the number of neurons in the four hidden layers is 256,1024,1024,256, each neuron in each hidden layer is the sum of the weights of all neurons in the previous layer, and then a result is obtained by a nonlinear activation function (ReLu function), and the formula is as follows:
f(x)=max(0,Aj)
wherein f (x) is the value of a neuron;
Ajthe expression is the sum of the weights of all neurons in the layer before the neuron, and is as follows:
Figure RE-GDA0002995126320000031
wherein x isiThe ith neuron of the upper layer, wjiThe weight of the ith neuron is represented, and the initial value of the weight can be any value.
After several layers of operation, an output value can be finally obtained, after a neural network is trained in a large number, a predicted value is consistent with a true value by adjusting weight parameters in the network by self, and the predicted value and the true value can be observed through a loss function (mean square error), wherein the formula is as follows:
Figure RE-GDA0002995126320000032
wherein,
Figure RE-GDA0002995126320000041
representing the predicted value of the neural network, YiRepresenting the value represented by the true result. When the loss function reaches a minimum, the network is proven to be stable and usable.
And S4, testing the accuracy of the network by using the test set, and if the accuracy is not high, repeating the experiment by adjusting the training times and the training speed of the network to improve the accuracy until the accuracy meets the preset requirement, thereby obtaining the neural network structure adopted by the invention.
The specific process of identifying and classifying the unknown two-dimensional material comprises the following steps:
(1) taking an optical microscope picture of the two-dimensional material with a 100-fold lens of an optical microscope (WITEC 300R Alpha);
(2) RGB & HSV information of pixel points of the picture 50 multiplied by 50 is extracted by an open source matplotlib module of Python 3.7, and is sent into the built neural network for analyzing components and layer numbers.
Example (b): an optical microscope picture is taken for several two-dimensional materials for testing, for example, as shown in fig. 3(a), the picture is identified by using a neural network with stable training, and as a result, as shown in fig. 3(b), it can be seen that each pixel point of the optical picture is accurately classified, and the identification time is very short, which proves that the method is accurate and rapid for representing the two-dimensional materials. Meanwhile, fig. 3(c) shows the classification accuracy of each material, the diagonal elements are the accuracy of each material being accurately identified, the off-diagonal elements are the probability of the material being confused with other materials, and it can be seen that the accuracy of most materials is over 85%.
In addition, we can also use the existing data set to identify the composition information of the two-dimensional material heterojunction, as shown in fig. 4, fig. 4(a) includes two-dimensional material heterojunction molybdenum disulfide/tungsten disulfide (MoS)2/WS2) Fig. 4(b) is a real composition analysis of the heterojunction obtained by raman spectroscopy, and it can be seen that the analysis of the ANN and the raman spectroscopy are substantially identical. The method for rapidly identifying the heterojunction components has great significance for the application of the two-dimensional material heterojunction, shortens the time required by sample characterization, and can rapidly screen out the heterostructure required by device manufacturing.
The above embodiments are only for illustrating the technical idea of the present invention, and the protection scope of the present invention is not limited thereby, and any modifications made on the basis of the technical scheme according to the technical idea of the present invention fall within the protection scope of the present invention.

Claims (7)

1. A method for rapidly identifying and analyzing materials using a machine learning method, comprising the steps of:
step 1, taking an optical microscope picture of a two-dimensional material by using a 100-time lens of an optical microscope;
step 2, extracting RGB & HSV information of pixel points of a picture 50 multiplied by 50 by using an open source matplotlib module of Python 3.7, and sending the RGB & HSV information into a built neural network for analyzing components and layer number;
in the step 2, the built neural network comprises an input layer, a hidden layer and an output layer which are sequentially connected from input to output, the input data is RGB & HSV six parameters, the hidden layer is provided with four layers, the number of neurons of the four layers is 256,1024,1024,256, each neuron of each hidden layer is a result obtained by adding the weights of all neurons of the previous layer and then passing through a nonlinear activation function, and then the result is transmitted to the next layer for operation.
2. The method of claim 1, wherein: in the step 2, the analysis result output by the neural network comprises one of the following 8 components: tungsten disulfide, molybdenum ditelluride, tungsten diselenide, molybdenum diselenide, graphene, hexagonal boron nitride (h-BN), Bi2Sr2CaCu2O8
3. The method of claim 1, wherein: in the step 2, the specific process of building the neural network is as follows:
s1, taking N groups of light microscope photos of 8 two-dimensional materials under the light intensity from the darkest to the brightest with the same interval change by using a 100-time lens of the light microscope, wherein N is a natural number;
s2, determining the type and the layer number of each two-dimensional material by using Raman spectrum;
s3, extracting RGB & HSV information of pixel points of 50 x 50 of each material by using an open source matplotlib module of Python 3.7, sending the RGB & HSV information into a neural network, and training the neural network until a loss function is minimum;
and S4, testing the accuracy of the neural network by using the photos in the test set, and adjusting the training times and the training rate until the accuracy meets the preset requirements, thereby obtaining the constructed neural network structure.
4. The method of claim 3, wherein: in step S1, N takes the value of 11.
5. The method of claim 3, wherein: in step S1, when taking the optical microscope photograph, 8 two-dimensional materials are placed in N sets of light intensities varying at equal intervals from the darkest to the brightest for photographing.
6. The method of claim 3, wherein: in step S3, the open source matplotlib module of Python 3.7 is used to extract RGB & HSV information of a pixel point of 50 × 50 for each material, and the RGB & HSV information is calculated according to a formula of 4: 1, constructing a training set and a testing set, and sending information obtained from the training set into a neural network to train the neural network.
7. The method of claim 3, wherein: in step S3, the expression of the loss function L is as follows:
Figure RE-FDA0002995126310000011
wherein,
Figure RE-FDA0002995126310000012
representing the predicted value of the neural network, YiRepresenting the value represented by the true result.
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