基于网络的机器学习方法对代谢学中的二元分类进行比较研究
Hunter Dlugas1,2, Seongho Kim1,2
1Biostatistics and Bioinformatics Core, Karmanos Cancer Institute, Detroit, MI 48201, USA.
Metabolites
|March 26, 2025
概括
基于网络的机器学习模型在代谢学分类中表现不同. 贝叶斯神经网络 (BNN),科尔摩戈罗夫-阿诺德网络 (KAN) 和尖端神经网络 (SNN) 是有前途的,但没有一种单一的方法始终超过其他方法.
科学领域:
- 生物科学 生物科学
- 计算生物学 计算生物学
- 生物信息学是一种生物信息学.
背景情况:
- 代谢学提供了对代谢途径和过程的洞察.
- 基于网络的机器学习在各个领域越来越受欢迎.
- 很少有基于网络的方法用于代谢分类.
研究的目的:
- 为了比较各种基于网络的机器学习方法对代谢分类的性能.
- 评估常用的和最近开发的网络模型.
- 识别潜在的未充分利用的代谢数据分析方法.
主要方法:
- 标准数据预处理应用于17个不同的代谢数据集.
- 对贝叶斯神经网络 (BNN),卷积神经网络 (CNN),前神经网络 (FNN),科尔莫戈罗夫-阿诺德网络 (KAN) 和尖端神经网络 (SNN) 的评估.
- 数据集的尺寸,质谱法和响应变量各不相同.
主要成果:
- 没有一个基于网络的模型在AUC,F1得分或准确度指标上始终超过其他模型.
- 在AUC的17个数据集中,Feedforward神经网络 (FNN) 在5个数据集中表现最好.
- 贝叶斯神经网络 (BNN),科尔莫戈罗夫-阿诺德网络 (KAN) 和尖端神经网络 (SNN) 在数据集中显示出竞争性性能.
结论:
- 没有基于网络的方法在基于代谢学的分类中普遍优越.
- 贝叶斯神经网络 (BNN),科尔摩戈罗夫-阿诺德网络 (KAN) 和尖端神经网络 (SNN) 可能被低估.
- 与CNN和FNN相比,对代谢任务的BNN,KAN和SNN进行进一步的调查是有必要的.
相关概念视频
Classification of Systems-I
Linearity is a system property characterized by a direct input-output relationship, combining homogeneity and additivity.
Homogeneity dictates that if an input x(t) is multiplied by a constant c, the output y(t) is multiplied by the same constant. Mathematically, this is expressed as:
Homogeneity dictates that if an input x(t) is multiplied by a constant c, the output y(t) is multiplied by the same constant. Mathematically, this is expressed as:
Classification of Systems-II
Continuous-time systems have continuous input and output signals, with time measured continuously. These systems are generally defined by differential or algebraic equations. For instance, in an RC circuit, the relationship between input and output voltage is expressed through a differential equation derived from Ohm's law and the capacitor relation,
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving
Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...


