CN114373523B - Glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm - Google Patents
Glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm Download PDFInfo
- Publication number
- CN114373523B CN114373523B CN202210281841.9A CN202210281841A CN114373523B CN 114373523 B CN114373523 B CN 114373523B CN 202210281841 A CN202210281841 A CN 202210281841A CN 114373523 B CN114373523 B CN 114373523B
- Authority
- CN
- China
- Prior art keywords
- squirrel
- glass
- tree
- algorithm
- parameters
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Active
Links
- 241000555745 Sciuridae Species 0.000 title claims abstract description 89
- 239000011521 glass Substances 0.000 title claims abstract description 55
- 238000005457 optimization Methods 0.000 title claims abstract description 22
- 238000000034 method Methods 0.000 title claims abstract description 20
- 238000010801 machine learning Methods 0.000 title claims abstract description 9
- 238000012360 testing method Methods 0.000 claims abstract description 5
- 238000012549 training Methods 0.000 claims abstract description 5
- 241000723418 Carya Species 0.000 claims description 22
- 241000399256 Pteromyini Species 0.000 claims description 16
- 230000001932 seasonal effect Effects 0.000 claims description 16
- 244000305267 Quercus macrolepis Species 0.000 claims description 14
- 239000000470 constituent Substances 0.000 claims description 13
- 230000001174 ascending effect Effects 0.000 claims description 12
- 230000003993 interaction Effects 0.000 claims description 8
- 235000009025 Carya illinoensis Nutrition 0.000 claims description 6
- 241001453450 Carya illinoinensis Species 0.000 claims description 6
- 239000000126 substance Substances 0.000 claims description 6
- 239000000075 oxide glass Substances 0.000 claims description 4
- 238000010276 construction Methods 0.000 claims description 3
- 244000062645 predators Species 0.000 claims description 2
- 241000899834 Obovaria olivaria Species 0.000 claims 4
- 235000008331 Pinus X rigitaeda Nutrition 0.000 claims 1
- 235000011613 Pinus brutia Nutrition 0.000 claims 1
- 241000018646 Pinus brutia Species 0.000 claims 1
- 239000000463 material Substances 0.000 abstract description 6
- 238000012545 processing Methods 0.000 abstract description 2
- 238000010845 search algorithm Methods 0.000 abstract 2
- 235000019589 hardness Nutrition 0.000 description 31
- 239000000203 mixture Substances 0.000 description 9
- 125000004429 atom Chemical group 0.000 description 6
- 125000004430 oxygen atom Chemical group O* 0.000 description 4
- 150000002500 ions Chemical class 0.000 description 3
- 229910052729 chemical element Inorganic materials 0.000 description 2
- 229910000272 alkali metal oxide Inorganic materials 0.000 description 1
- 150000001340 alkali metals Chemical class 0.000 description 1
- 229910000287 alkaline earth metal oxide Inorganic materials 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 239000013078 crystal Substances 0.000 description 1
- 238000013461 design Methods 0.000 description 1
- 230000000694 effects Effects 0.000 description 1
- 238000007496 glass forming Methods 0.000 description 1
- 238000013507 mapping Methods 0.000 description 1
- 238000005259 measurement Methods 0.000 description 1
- 239000003607 modifier Substances 0.000 description 1
- 239000013526 supercooled liquid Substances 0.000 description 1
Images
Classifications
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
- G06N20/00—Machine learning
- G06N20/20—Ensemble learning
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
- G06N3/00—Computing arrangements based on biological models
- G06N3/004—Artificial life, i.e. computing arrangements simulating life
- G06N3/006—Artificial life, i.e. computing arrangements simulating life based on simulated virtual individual or collective life forms, e.g. social simulations or particle swarm optimisation [PSO]
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/70—Machine learning, data mining or chemometrics
-
- Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
- Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
- Y02P—CLIMATE CHANGE MITIGATION TECHNOLOGIES IN THE PRODUCTION OR PROCESSING OF GOODS
- Y02P90/00—Enabling technologies with a potential contribution to greenhouse gas [GHG] emissions mitigation
- Y02P90/30—Computing systems specially adapted for manufacturing
Landscapes
- Engineering & Computer Science (AREA)
- Theoretical Computer Science (AREA)
- Computing Systems (AREA)
- Life Sciences & Earth Sciences (AREA)
- Software Systems (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Artificial Intelligence (AREA)
- Bioinformatics & Computational Biology (AREA)
- Data Mining & Analysis (AREA)
- Evolutionary Computation (AREA)
- Physics & Mathematics (AREA)
- Medical Informatics (AREA)
- General Health & Medical Sciences (AREA)
- General Engineering & Computer Science (AREA)
- General Physics & Mathematics (AREA)
- Mathematical Physics (AREA)
- Crystallography & Structural Chemistry (AREA)
- Health & Medical Sciences (AREA)
- Chemical & Material Sciences (AREA)
- Computer Vision & Pattern Recognition (AREA)
- Computational Linguistics (AREA)
- Biophysics (AREA)
- Databases & Information Systems (AREA)
- Biomedical Technology (AREA)
- Molecular Biology (AREA)
- Management, Administration, Business Operations System, And Electronic Commerce (AREA)
Abstract
Description
技术领域technical field
本发明涉及电数字数据处理领域,尤其涉及一种基于松鼠优化算法和机器学习算法的玻璃硬度预测方法。The invention relates to the field of electrical digital data processing, in particular to a glass hardness prediction method based on a squirrel optimization algorithm and a machine learning algorithm.
背景技术Background technique
玻璃是一种非平衡、非晶的材料,它能自发地弛豫到过冷的液态。与晶体不同, 玻璃不需要满足严格的化学计量规则,可以被认为是化学元素的连续溶液。因此大量的元素可能成为构成玻璃材料的组分。80种化学元素以1 mol%的量变化可以产生种可能的玻璃成分。然而,报道的无机玻璃的数量只有种左右,这意味着探索具有特殊性能的新玻璃形成成分还有巨大的空间。Glass is a non-equilibrium, amorphous material that relaxes spontaneously to a supercooled liquid state. Unlike crystals, glasses do not need to meet strict stoichiometric rules and can be thought of as continuous solutions of chemical elements. Therefore, a large number of elements may become components constituting the glass material. 80 chemical elements can be produced by changing the amount of 1 mol% possible glass compositions. However, the number of reported inorganic glasses is only This means that there is enormous scope for exploring new glass-forming compositions with special properties.
硬度作为最重要的机械性能之一,反映了材料对抗永久变形的性能。玻璃材料的硬度不仅取决于化学组分还与其网络结构息息相关,一般而言,构建玻璃网络结构的网络形成体氧化物(如,等)越多,硬度值越大,而具有破网作用的网络修饰体氧化物(如碱金属和碱土金属氧化物等)越多,硬度值越小。影响硬度的主要因素为:玻璃的热历史、压力史和外界因素如测量时的温度、湿度以及施加载荷的大小等。现有玻璃材料设计方法中对硬度的预测主要基于组分的加权求和公式,这种预测方法存在预测准确度低的缺点。As one of the most important mechanical properties, hardness reflects the resistance of a material to permanent deformation. The hardness of glass materials depends not only on the chemical composition but also on its network structure. Generally speaking, the network former oxides (such as , etc.), the greater the hardness value, and the more network modifier oxides (such as alkali metal and alkaline earth metal oxides, etc.) with network breaking effect, the smaller the hardness value. The main factors that affect the hardness are: the thermal history of the glass, the pressure history and external factors such as temperature, humidity and the size of the applied load during measurement. The prediction of hardness in the existing glass material design methods is mainly based on the weighted summation formula of components, and this prediction method has the disadvantage of low prediction accuracy.
发明内容SUMMARY OF THE INVENTION
为了解决现有技术中无法准确且快速预测玻璃硬度的问题,本发明提出了一种基于松鼠搜索优化算法和机器学习算法的玻璃硬度预测方法。In order to solve the problem that the glass hardness cannot be accurately and quickly predicted in the prior art, the present invention proposes a glass hardness prediction method based on a squirrel search optimization algorithm and a machine learning algorithm.
本发明采用的技术方案是:The technical scheme adopted in the present invention is:
基于松鼠优化算法和机器学习算法的玻璃硬度预测方法,其特征在于,所述方法包括:The glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm, characterized in that the method includes:
步骤1:采集不同组分氧化物玻璃的硬度数据,构建玻璃硬度数据库,所述玻璃硬度数据库包括一一映射的玻璃组分和其对应的硬度;Step 1: collect the hardness data of oxide glasses with different components, and construct a glass hardness database, the glass hardness database includes one-to-one mapping of glass components and their corresponding hardnesses;
步骤2:基于化学特征,分别以元素摩尔含量、原子间库伦作用力、基于力场势的短程相互作用关系作为输入参数的描述符;Step 2: Based on the chemical characteristics, the molar content of the elements are respectively , Coulomb force between atoms , short-range interaction relationship based on force field potential Descriptor as input parameter;
步骤3:以步骤2构造的描述符为模型的输入,以步骤1构建的硬度数据库为模型的输出,构建训练集、测试集,建立Catboost模型;Step 3: Take the descriptor constructed in Step 2 as the input of the model, and take the hardness database constructed in Step 1 as the output of the model, construct a training set and a test set, and establish a Catboost model;
步骤4:引入松鼠搜索优化算法,优化选取的Catboost模型的参数;Step 4: Introduce the squirrel search optimization algorithm to optimize the parameters of the selected Catboost model;
步骤5:基于优化后的参数建立性能最优的Catboost模型;Step 5: Establish a Catboost model with the best performance based on the optimized parameters;
步骤6:针对待预测的玻璃组分,利用最优的Catboost模型预测该玻璃组分的玻璃硬度。Step 6: For the glass composition to be predicted, use the optimal Catboost model to predict the glass hardness of the glass composition.
进一步地,所述的基于松鼠优化算法和机器学习算法的玻璃硬度预测方法,其特征在于,步骤2包括如下步骤:Further, the described method for predicting glass hardness based on squirrel optimization algorithm and machine learning algorithm is characterized in that step 2 includes the following steps:
步骤2-1:以组成玻璃各个组分摩尔含量为一组描述符;Step 2-1: To make up the molar content of each component of the glass is a set of descriptors;
步骤2-2:以组成玻璃各个组分不同原子间库伦作用力构造描述符:Step 2-2: Construct descriptors based on Coulomb forces between different atoms of each component of the glass :
其中,和为离子和的有效离子电荷,和分别是组成元素和有效离子电荷和的摩尔分数;in, and for ions and The effective ionic charge of , and the constituent elements and effective ionic charge and mole fraction of ;
步骤2-3:以组成玻璃各个组分不同原子间力场势的短程相互作用关系构造描述符:Step 2-3: Use the short-range interaction relationship between the force field potentials between different atoms of each component of the glass construct descriptor :
其中,S为组成元素合集,为组成元素有效离子电荷的摩尔分数,为Buckingham电势参数,p= -4, -3, -2, -1, 0, 1, 2, 3, 4。Among them, S is the set of constituent elements, is the mole fraction of the effective ionic charge of the constituent elements, are Buckingham potential parameters, p = -4, -3, -2, -1, 0, 1, 2, 3, 4.
进一步地,所述的基于松鼠优化算法和机器学习算法的玻璃硬度预测方法,其特征在于,步骤4包括如下步骤:Further, the described method for predicting glass hardness based on squirrel optimization algorithm and machine learning algorithm is characterized in that step 4 includes the following steps:
步骤4-1:选取Catboost算法需优化的参数,松鼠的位置坐标即为需要优化的参数,定义松鼠搜索优化算法的种群规模,维度,最大迭代次数,滑行距离参数和捕食者存在概率;Step 4-1: Select the parameters to be optimized by the Catboost algorithm, the position coordinates of the squirrel are the parameters to be optimized, and define the population size, dimension, maximum number of iterations, sliding distance parameters and predator existence probability of the squirrel search optimization algorithm;
步骤4-2:种群位置初始化,为只松鼠生成随机位置,第只松鼠的位置可以通过一个矢量来确定;所有松鼠的位置在边界范围内随机初始化,如下式:Step 4-2: Initialize the population position, which is A squirrel generates a random location, the first The position of a single squirrel can be determined by a vector; the positions of all squirrels are randomly initialized within the bounds as follows:
其中,代表第只松鼠第维的值,、分别为变量的上下边界,rand为[0, 1]之间的随机数;in, representative only squirrel dimension value, , are the upper and lower boundaries of the variable, and rand is a random number between [0, 1];
步骤4-3:根据步骤4-2每只松鼠的位置计算每只松鼠位置所代表参数的模型准确度;Step 4-3: Calculate the model accuracy of the parameters represented by the position of each squirrel according to the position of each squirrel in Step 4-2;
步骤4-4:根据飞行松鼠的准确度,按升序排列它们的位置;Steps 4-4: Arrange their positions in ascending order according to the accuracy of the flying squirrels;
步骤4-5:根据步骤4-4的排序将飞行松鼠按顺序分配到山核桃树、橡树和普通树,其中山核桃树代表全局最优解位置,橡树代表局部最优解位置;Step 4-5: According to the sorting of steps 4-4, the flying squirrels are assigned to the hickory tree, the oak tree and the common tree in order, wherein the hickory tree represents the global optimal solution position, and the oak tree represents the local optimal solution position;
步骤4-6:更新松鼠位置,如下式:Step 4-6: Update the squirrel position as follows:
(1)在橡树上的松鼠向山核桃树移动,(1) The squirrel on the oak tree moves toward the hickory tree,
其中,是随机滑行距离,是[0, 1]范围内的随机数,是山核桃树的位置,t表示当前迭代;滑动常数实现全局与局部搜索之间的平衡,经过大量分析论证,的值设为1.9;in, is the random glide distance, is a random number in the range [0, 1], is the position of the pecan tree, and t is the current iteration; the sliding constant To achieve a balance between global and local search, after a lot of analysis and demonstration, The value of is set to 1.9;
(2)在普通树上的松鼠向橡树移动,(2) A squirrel on a common tree moves towards an oak tree,
其中,是[0, 1]范围内的随机;in, is random in the range [0, 1];
(3)在普通树上的松鼠向山核桃树移动,(3) The squirrel on the common tree moves towards the hickory tree,
其中,是[0, 1]范围内的随机数;in, is a random number in the range [0, 1];
步骤4-7:根据步骤4-6更新后每只松鼠的位置计算每只松鼠位置所代表参数的模型准确度,升序排列位置,将飞行松鼠按顺序重新分配到山核桃树、橡子树和普通树;Step 4-7: Calculate the model accuracy of the parameters represented by the position of each squirrel according to the position of each squirrel after updating in steps 4-6, arrange the positions in ascending order, and reassign the flying squirrels to the hickory tree, acorn tree and common tree;
步骤4-8:判断季节变化条件是否满足,如满足更新普通树上松鼠位置,不满足维持原位置,如下式:Step 4-8: Determine whether the seasonal change conditions are satisfied, such as updating the position of the squirrel on the common tree, but not maintaining the original position, as follows:
(1)计算季节常量:(1) Calculate the seasonal constant :
(2)计算季节变化条件:(2) Calculate seasonal variation conditions :
其中,t和分别是当前和最大迭代值;where t and are the current and maximum iteration values, respectively;
(3)如果季节条件得到满足,则随机改变普通树上松鼠的位置:(3) If the seasonal conditions are satisfied, randomly change the position of the squirrel on the ordinary tree:
步骤4-9:重新计算各个松鼠位置上的准确度,升序排列位置,将飞行松鼠分配到山核桃树、橡子树和普通树;Steps 4-9: Recalculate the accuracy on each squirrel position, arrange the positions in ascending order, and assign flying squirrels to hickory, acorn, and common trees;
步骤4-10:重复步骤4-6到4-9,满足迭代条件或最大迭代次数时,结束优化过程;Step 4-10: Repeat steps 4-6 to 4-9, and end the optimization process when the iteration conditions or the maximum number of iterations are satisfied;
步骤4-11:输出山核桃树上松鼠的位置和准确度,山核桃树上松鼠的位置为Catboost参数值。Step 4-11: Output the position and accuracy of the squirrel on the hickory tree, the position of the squirrel on the hickory tree is the Catboost parameter value.
本发明的有益效果在于:The beneficial effects of the present invention are:
(1)本发明建立了基于化学特性的描述符,考虑了不同原子之间离子作用力和短程作用力的相互关系,更加符合实际玻璃的规律,预测结果更为准确;(1) The present invention establishes a descriptor based on chemical properties, and considers the relationship between ionic force and short-range force between different atoms, which is more in line with the laws of actual glass, and the prediction results are more accurate;
(2)本发明将松鼠搜索优化算法用于优化Catboost算法参数寻优,结构简单,提高收敛速度和精度,且寻优得到的最优Catboost算法参数可以较明显地提高Catboost算法的性能,对于提高预测玻璃硬度的准确性具有现实意义。(2) The present invention uses the squirrel search optimization algorithm to optimize the parameters of the Catboost algorithm, the structure is simple, the convergence speed and accuracy are improved, and the optimal Catboost algorithm parameters obtained by the optimization can significantly improve the performance of the Catboost algorithm. The accuracy of predicting glass hardness has practical significance.
附图说明Description of drawings
图1 本发明方法实施的流程图;Fig. 1 is a flow chart of the implementation of the method of the present invention;
图2 本发明描述符构造流程图 。Figure 2 is a flow chart of the construction of the descriptor of the present invention.
具体实施方式Detailed ways
下面将结合本发明实施例中的附图,对本发明实施例中的技术方案进行清楚、完整地描述,显然,所描述的实施例仅仅是本发明一部分实施例,而不是全部的实施例。The technical solutions in the embodiments of the present invention will be clearly and completely described below with reference to the accompanying drawings in the embodiments of the present invention. Obviously, the described embodiments are only a part of the embodiments of the present invention, but not all of the embodiments.
实施例1,如图1、2所示:Embodiment 1, as shown in Figures 1 and 2:
步骤1:集不同组分氧化物玻璃的硬度数据,构建玻璃硬度数据库,具体采集400组玻璃的硬度数据,构建玻璃硬度数据库;Step 1: Collect the hardness data of oxide glass with different components, build a glass hardness database, and collect 400 groups in detail The hardness data of glass, build glass hardness database;
步骤2:基于化学特征,分别以元素摩尔含量、原子间库伦作用力、基于力场势的短程相互作用关系作为输入参数的描述符;具体步骤为:Step 2: Based on the chemical characteristics, the molar content of the elements are respectively , Coulomb force between atoms , short-range interaction relationship based on force field potential Descriptor as input parameter; the specific steps are:
步骤2-1:以400组摩尔含量、和为三组描述符;Step 2-1: Take 400 Groups Molar content , and are three sets of descriptors;
步骤2-2:以Si、Na、Ca、O原子间库伦作用力构造描述符:Step 2-2: Construct descriptors with Coulomb forces between Si, Na, Ca, O atoms :
其中,和为离子和的有效离子电荷,和分别是组成元素和有效离子电荷和的摩尔分数;in, and for ions and The effective ionic charge of , and the constituent elements and effective ionic charge and mole fraction of ;
步骤2-3:以Si、Na、Ca、O原子间力场势的短程相互作用关系构造描述符:Step 2-3: Based on the short-range interaction relationship between the Si, Na, Ca, and O atoms construct descriptor :
其中,S为组成元素合集,为组成元素有效离子电荷的摩尔分数,为Buckingham电势参数,p= -4, -3, -2, -1, 0, 1, 2, 3, 4;Among them, S is the set of constituent elements, is the mole fraction of the effective ionic charge of the constituent elements, is the Buckingham potential parameter, p = -4, -3, -2, -1, 0, 1, 2, 3, 4;
步骤3:以步骤2构造的描述符为模型的输入,以步骤1构建的硬度数据库为模型的输出,320组数据构建训练集、80组数据构建测试集,建立Catboost模型;Step 3: Take the descriptor constructed in Step 2 as the input of the model, take the hardness database constructed in Step 1 as the output of the model, construct a training set with 320 sets of data, and construct a test set with 80 sets of data, and establish a Catboost model;
步骤4-1:选取Catboost算法需优化的参数迭代数、学习率、深度,建立松鼠的位置,定义松鼠搜索优化算法的种群规模,维度,最大迭代次数;Step 4-1: Select the number of iterations, learning rate, and depth of parameters to be optimized by the Catboost algorithm, establish the position of the squirrel, and define the population size, dimension, and maximum number of iterations of the squirrel search optimization algorithm;
步骤4-2:种群位置初始化,为50只松鼠生成随机位置,第只松鼠的位置可以通过一个矢量来确定。所有松鼠的位置在边界范围内随机初始化,如下式:Step 4-2: Initialize the population location, generate random locations for 50 squirrels, The location of a squirrel can be determined by a vector. The positions of all squirrels are randomly initialized within the bounds as follows:
其中,代表第只松鼠第维的值,、分别为变量的上下边界,rand为[0, 1]之间的随机数;in, representative only squirrel dimension value, , are the upper and lower boundaries of the variable, and rand is a random number between [0, 1];
步骤4-3:根据步骤4-2每只松鼠的位置计算每只松鼠位置所代表参数的模型准确度;Step 4-3: Calculate the model accuracy of the parameters represented by the position of each squirrel according to the position of each squirrel in Step 4-2;
步骤4-4:根据飞行松鼠的准确度,按升序排列它们的位置;Steps 4-4: Arrange their positions in ascending order according to the accuracy of the flying squirrels;
步骤4-5:根据步骤4-4的排序将飞行松鼠按顺序分配到山核桃树、橡子树和普通树;Step 4-5: Allocate the flying squirrels to the hickory tree, acorn tree and common tree in order according to the order of step 4-4;
步骤4-6:更新松鼠位置,如下式:Step 4-6: Update the squirrel position as follows:
(1)在橡树上的松鼠向山核桃树移动,(1) The squirrel on the oak tree moves toward the hickory tree,
其中,是随机滑行距离,是[0, 1]范围内的随机数,是山核桃树的位置,t表示当前迭代。滑动常数实现全局与局部搜索之间的平衡,经过大量分析论证,的值设为1.9;in, is the random glide distance, is a random number in the range [0, 1], is the position of the hickory tree, and t represents the current iteration. sliding constant To achieve a balance between global and local search, after a lot of analysis and demonstration, The value of is set to 1.9;
(2)在普通树上的松鼠向橡树移动,(2) A squirrel on a common tree moves towards an oak tree,
其中,是[0, 1] 范围内的随机数。in, is a random number in the range [0, 1].
(3)在普通树上的松鼠向山核桃树移动,(3) The squirrel on the common tree moves towards the hickory tree,
其中是[0, 1]范围内的随机数。in is a random number in the range [0, 1].
步骤4-7:根据步骤4-6更新后每只松鼠的位置计算每只松鼠位置所代表参数的模型准确度,升序排列位置,将飞行松鼠按顺序重新分配到山核桃树、橡子树和普通树;Step 4-7: Calculate the model accuracy of the parameters represented by the position of each squirrel according to the position of each squirrel after updating in steps 4-6, arrange the positions in ascending order, and reassign the flying squirrels to the hickory tree, acorn tree and common tree;
步骤4-8:判断季节变化条件是否满足,如满足更新普通树上松鼠位置,不满足维持原位置,如下式:Step 4-8: Determine whether the seasonal change conditions are satisfied, such as updating the position of the squirrel on the common tree, but not maintaining the original position, as follows:
(1)计算季节常量:(1) Calculate the seasonal constant :
(2)计算季节变化条件:(2) Calculate seasonal variation conditions :
其中,t和分别是当前和最大迭代值;where t and are the current and maximum iteration values, respectively;
(3)如果季节条件得到满足,则随机改变普通树上松鼠的位置:(3) If the seasonal conditions are satisfied, randomly change the position of the squirrel on the ordinary tree:
步骤4-9:重新计算各个松鼠位置上的准确度,升序排列位置,将飞行松鼠分配到山核桃树、橡子树和普通树;Steps 4-9: Recalculate the accuracy on each squirrel position, arrange the positions in ascending order, and assign flying squirrels to hickory, acorn, and common trees;
步骤4-10:重复步骤4-6到4-9,满足迭代条件或最大迭代次数时,结束优化过程;Step 4-10: Repeat steps 4-6 to 4-9, and end the optimization process when the iteration conditions or the maximum number of iterations are satisfied;
步骤4-11:输出山核桃树上松鼠的位置(Catboost参数值)和准确度。Step 4-11: Output the location (Catboost parameter value) and accuracy of the squirrel on the pecan tree.
步骤5:基于优化后的参数建立性能最优的Catboost模型;Step 5: Establish a Catboost model with the best performance based on the optimized parameters;
步骤6:针对待预测的玻璃组分,利用最优的Catboost模型预测该玻璃组分的玻璃硬度。Step 6: For the glass composition to be predicted, use the optimal Catboost model to predict the glass hardness of the glass composition.
实施例2,如图1、2所示:Embodiment 2, as shown in Figures 1 and 2:
步骤1:集不同组分氧化物玻璃的硬度数据,构建玻璃硬度数据库,具体采集800组玻璃的硬度数据,构建玻璃硬度数据库;Step 1: Collect the hardness data of oxide glass with different components, build a glass hardness database, and collect 800 groups The hardness data of glass, build glass hardness database;
步骤2:基于化学特征,分别以元素摩尔含量、原子间库伦作用力、基于力场势的短程相互作用关系作为输入参数的描述符;具体步骤为:Step 2: Based on the chemical characteristics, the molar content of the elements are respectively , Coulomb force between atoms , short-range interaction relationship based on force field potential Descriptor as input parameter; the specific steps are:
步骤2-1:以800组摩尔含量、和为三组描述符;Step 2-1: Take 800 Groups Molar content , and are three sets of descriptors;
步骤2-2:以Si、Na、Ca、O原子间库伦作用力构造描述符:Step 2-2: Construct descriptors based on Coulomb forces between Si, Na , Ca, O atoms :
其中,和为离子和的有效离子电荷,和分别是组成元素和有效离子电荷和的摩尔分数;in, and for ions and The effective ionic charge of , and the constituent elements and effective ionic charge and mole fraction of ;
步骤2-3:以Si、Na、Ca、O原子间力场势的短程相互作用关系构造描述符:Step 2-3: Based on the short-range interaction relationship between the Si, Na , Ca, and O atoms construct descriptor :
其中,S为组成元素合集,为组成元素有效离子电荷的摩尔分数,为Buckingham电势参数,p= -4, -3, -2, -1, 0, 1, 2, 3, 4;Among them, S is the set of constituent elements, is the mole fraction of the effective ionic charge of the constituent elements, is the Buckingham potential parameter, p = -4, -3, -2, -1, 0, 1, 2, 3, 4;
步骤3:以步骤2构造的描述符为模型的输入,以步骤1构建的硬度数据库为模型的输出,640组数据构建训练集、160组数据构建测试集,建立Catboost模型;Step 3: Take the descriptor constructed in Step 2 as the input of the model, take the hardness database constructed in Step 1 as the output of the model, construct a training set with 640 sets of data, and construct a test set with 160 sets of data, and establish a Catboost model;
步骤4-1:选取Catboost算法需优化的参数迭代数、学习率、深度,建立松鼠的位置,定义松鼠搜索优化算法的种群规模,维度,最大迭代次数;Step 4-1: Select the number of iterations, learning rate, and depth of parameters to be optimized by the Catboost algorithm, establish the position of the squirrel, and define the population size, dimension, and maximum number of iterations of the squirrel search optimization algorithm;
步骤4-2:种群位置初始化,为50只松鼠生成随机位置,第i只松鼠的位置可以通过一个矢量来确定。所有松鼠的位置在边界范围内随机初始化,如下式:Step 4-2: Initialize the population position, generate random positions for 50 squirrels, and the position of the i -th squirrel can be determined by a vector. The positions of all squirrels are randomly initialized within the bounds as follows:
其中,代表第只松鼠第维的值,、分别为变量的上下边界,rand为[0, 1]之间的随机数;in, representative only squirrel dimension value, , are the upper and lower boundaries of the variable, and rand is a random number between [0, 1];
步骤4-3:根据步骤4-2每只松鼠的位置计算每只松鼠位置所代表参数的模型准确度;Step 4-3: Calculate the model accuracy of the parameters represented by the position of each squirrel according to the position of each squirrel in Step 4-2;
步骤4-4:根据飞行松鼠的准确度,按升序排列它们的位置;Steps 4-4: Arrange their positions in ascending order according to the accuracy of the flying squirrels;
步骤4-5:根据步骤4-4的排序将飞行松鼠按顺序分配到山核桃树、橡子树和普通树;Step 4-5: Allocate the flying squirrels to the hickory tree, acorn tree and common tree in order according to the order of step 4-4;
步骤4-6:更新松鼠位置,如下式:Step 4-6: Update the squirrel position as follows:
(1)在橡树上的松鼠向山核桃树移动,(1) The squirrel on the oak tree moves toward the hickory tree,
其中,是随机滑行距离,是[0, 1]范围内的随机数,是山核桃树的位置,t表示当前迭代。滑动常数实现全局与局部搜索之间的平衡,经过大量分析论证,的值设为1.9;in, is the random glide distance, is a random number in the range [0, 1], is the position of the hickory tree, and t represents the current iteration. sliding constant To achieve a balance between global and local search, after a lot of analysis and demonstration, The value of is set to 1.9;
(2)在普通树上的松鼠向橡树移动,(2) A squirrel on a common tree moves towards an oak tree,
其中,是[0, 1]范围内的随机数。in, is a random number in the range [0, 1].
(3)在普通树上的松鼠向山核桃树移动,(3) The squirrel on the common tree moves towards the hickory tree,
其中是[0, 1]范围内的随机数。in is a random number in the range [0, 1].
步骤4-7:根据步骤4-6更新后每只松鼠的位置计算每只松鼠位置所代表参数的模型准确度,升序排列位置,将飞行松鼠按顺序重新分配到山核桃树、橡子树和普通树;Step 4-7: Calculate the model accuracy of the parameters represented by the position of each squirrel according to the position of each squirrel after updating in steps 4-6, arrange the positions in ascending order, and reassign the flying squirrels to the hickory tree, acorn tree and common tree;
步骤4-8:判断季节变化条件是否满足,如满足更新普通树上松鼠位置,不满足维持原位置,如下式:Step 4-8: Determine whether the seasonal change conditions are satisfied, such as updating the position of the squirrel on the common tree, but not maintaining the original position, as follows:
(1)计算季节常量:(1) Calculate the seasonal constant :
(2)计算季节变化条件:(2) Calculate seasonal variation conditions :
其中,t和分别是当前和最大迭代值。where t and are the current and maximum iteration values, respectively.
(3)如果季节条件得到满足,则随机改变普通树上松鼠的位置:(3) If the seasonal conditions are satisfied, randomly change the position of the squirrel on the ordinary tree:
步骤4-9:重新计算各个松鼠位置上的准确度,升序排列位置,将飞行松鼠分配到山核桃树、橡子树和普通树;Steps 4-9: Recalculate the accuracy on each squirrel position, arrange the positions in ascending order, and assign flying squirrels to hickory, acorn, and common trees;
步骤4-10:重复步骤4-6到4-9,满足迭代条件或最大迭代次数时,结束优化过程;Step 4-10: Repeat steps 4-6 to 4-9, and end the optimization process when the iteration conditions or the maximum number of iterations are satisfied;
步骤4-11:输出山核桃树上松鼠的位置(Catboost参数值)和准确度。Step 4-11: Output the location (Catboost parameter value) and accuracy of the squirrel on the pecan tree.
步骤5:基于优化后的参数建立性能最优的Catboost模型;Step 5: Establish a Catboost model with the best performance based on the optimized parameters;
步骤6:针对待预测的玻璃组分,利用最优的Catboost模型预测该玻璃组分的玻璃硬度。Step 6: For the glass composition to be predicted, use the optimal Catboost model to predict the glass hardness of the glass composition.
实施例模型性能如下表:The performance of the embodiment model is as follows:
表一:实施例1、2模型性能表Table 1: Model performance table of Examples 1 and 2
以上所述,仅为本发明较佳的具体实施方式,但本发明的保护范围并不局限于此,任何熟悉本技术领域的技术人员在本发明揭露的技术范围内,根据本发明的技术方案及其发明构思加以等同替换或改变,都应涵盖在本发明的保护范围之内。The above description is only a preferred embodiment of the present invention, but the protection scope of the present invention is not limited to this. The equivalent replacement or change of the inventive concept thereof shall be included within the protection scope of the present invention.
Claims (2)
Priority Applications (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
CN202210281841.9A CN114373523B (en) | 2022-03-22 | 2022-03-22 | Glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm |
Applications Claiming Priority (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
CN202210281841.9A CN114373523B (en) | 2022-03-22 | 2022-03-22 | Glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm |
Publications (2)
Publication Number | Publication Date |
---|---|
CN114373523A CN114373523A (en) | 2022-04-19 |
CN114373523B true CN114373523B (en) | 2022-06-03 |
Family
ID=81146137
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
CN202210281841.9A Active CN114373523B (en) | 2022-03-22 | 2022-03-22 | Glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm |
Country Status (1)
Country | Link |
---|---|
CN (1) | CN114373523B (en) |
Families Citing this family (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN116187167A (en) * | 2022-12-30 | 2023-05-30 | 中建材玻璃新材料研究院集团有限公司 | Machine learning-based method and system for predicting depth of stress layer after glass tempering |
CN117497087B (en) * | 2023-12-20 | 2024-04-26 | 浙江大学 | Oxide glass performance prediction method based on interpretable high-dimensional spatial prediction model |
CN117976093A (en) * | 2024-01-11 | 2024-05-03 | 中建材玻璃新材料研究院集团有限公司 | Glass transition temperature prediction method based on zebra optimization algorithm |
CN118969144A (en) * | 2024-07-19 | 2024-11-15 | 中建材玻璃新材料研究院集团有限公司 | Glass elastic modulus prediction method based on spider bee optimization algorithm and machine learning algorithm |
CN119400287B (en) * | 2024-12-31 | 2025-04-29 | 成都光明光电股份有限公司 | Optical glass chemical strengthening process prediction method, system, equipment and medium |
Citations (4)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN104062422A (en) * | 2014-06-10 | 2014-09-24 | 华东理工大学 | Predicating method for transformation temperature and hardness of glass |
CN106444625A (en) * | 2016-09-18 | 2017-02-22 | 合肥工业大学 | Cutter head servo control method and cutter head servo control device for glass cutting machine |
CN110683749A (en) * | 2019-10-31 | 2020-01-14 | 江苏瑞特钢化玻璃制品有限公司 | Production process of high-strength toughened glass |
CN110728401A (en) * | 2019-10-10 | 2020-01-24 | 郑州轻工业学院 | Short-term power load prediction method of neural network based on squirrel and weed hybrid algorithm |
Family Cites Families (2)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
KR102523472B1 (en) * | 2016-08-01 | 2023-04-18 | 삼성전자주식회사 | Method and apparatus for searching new material |
CN110850477B (en) * | 2019-11-07 | 2024-11-08 | 中建四局第一建设有限公司 | A resistivity cave identification method based on squirrel search algorithm |
-
2022
- 2022-03-22 CN CN202210281841.9A patent/CN114373523B/en active Active
Patent Citations (4)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN104062422A (en) * | 2014-06-10 | 2014-09-24 | 华东理工大学 | Predicating method for transformation temperature and hardness of glass |
CN106444625A (en) * | 2016-09-18 | 2017-02-22 | 合肥工业大学 | Cutter head servo control method and cutter head servo control device for glass cutting machine |
CN110728401A (en) * | 2019-10-10 | 2020-01-24 | 郑州轻工业学院 | Short-term power load prediction method of neural network based on squirrel and weed hybrid algorithm |
CN110683749A (en) * | 2019-10-31 | 2020-01-14 | 江苏瑞特钢化玻璃制品有限公司 | Production process of high-strength toughened glass |
Non-Patent Citations (2)
Title |
---|
Explainable machine learning algorithms for predicting galss transition temperatures;Edesio Alcobaca,et al.;《Acta Materialia》;20200415;92-100 * |
触控屏用盖板玻璃的硬度分析;刘亚茹 等;《玻璃搪瓷与眼镜》;20211231;7-13 * |
Also Published As
Publication number | Publication date |
---|---|
CN114373523A (en) | 2022-04-19 |
Similar Documents
Publication | Publication Date | Title |
---|---|---|
CN114373523B (en) | Glass hardness prediction method based on squirrel optimization algorithm and machine learning algorithm | |
Bhattoo et al. | Understanding the compositional control on electrical, mechanical, optical, and physical properties of inorganic glasses with interpretable machine learning | |
CN109948865A (en) | A Path Planning Method for TSP Problems | |
CN106527381B (en) | A kind of fast evaluation method towards parallel batch processing machine dynamic dispatching | |
WO2024139684A1 (en) | Machine-learning-based method and system for predicting stress layer depth after glass tempering | |
CN114595873B (en) | Gray correlation-based DA-LSTM short-term power load prediction method | |
CN110322020B (en) | Adaptive learning rate scheduling for distributed random gradient descent | |
CN111260032A (en) | Neural network training method, image processing method and device | |
CN108320059B (en) | Workflow scheduling evolution optimization method and terminal equipment | |
CN108204944A (en) | The Buried Pipeline rate prediction method of LSSVM based on APSO optimizations | |
CN111832101A (en) | Construction method of a cement strength prediction model and cement strength prediction method | |
CN106599936A (en) | Characteristic selection method based on binary ant colony algorithm and system thereof | |
CN114021470B (en) | Relay storage life prediction method based on AMFO algorithm and SVM algorithm | |
CN106909560A (en) | POI sorting method | |
CN109146196B (en) | A method for predicting water consumption in residential communities | |
CN107590538B (en) | A Dangerous Source Identification Method Based on Online Sequence Learning Machine | |
WO2025148464A1 (en) | Glass transition temperature prediction method based on zebra optimization algorithm | |
CN118969144A (en) | Glass elastic modulus prediction method based on spider bee optimization algorithm and machine learning algorithm | |
CN114912331A (en) | Optimization method, device, equipment and medium for cabin stiffener | |
CN118438445A (en) | Fruit sorting robot track planning method based on multi-objective optimization | |
Tausch | Researchgate, RG-Scores, or a true Research Gate to Global Research? On the limits of the RG factor and some scientometric evidence on how the current RG score system discriminates against economic and social sciences and against the developing countries | |
CN114613426B (en) | System development tree construction method based on dynamic multi-objective optimization | |
CN113868916B (en) | LFVPSO-BPNN-based multi-loop groove cabling temperature rise prediction method | |
Cao et al. | Multi agent collaborative search algorithm with adaptive weights | |
CN115965082A (en) | Phylogenetic tree construction method and system based on deep learning and clustering search |
Legal Events
Date | Code | Title | Description |
---|---|---|---|
PB01 | Publication | ||
PB01 | Publication | ||
SE01 | Entry into force of request for substantive examination | ||
SE01 | Entry into force of request for substantive examination | ||
GR01 | Patent grant | ||
GR01 | Patent grant |