Alpha-Beta Hybrid Quantum Associative Memory Using Hamming Distance

This work presents a quantum associative memory (Alpha-Beta HQAM) that uses the Hamming distance for pattern recovery. The proposal combines the Alpha-Beta associative memory, which reduces the dimensionality of patterns, with a quantum subroutine to calculate the Hamming distance in the recovery phase. Furthermore, patterns are initially stored in the memory as a quantum superposition in order to take advantage of its properties. Experiments testing the memory’s viability and performance were implemented using IBM’s Qiskit library.     

Solubility Optimization of Loxoprofen as a Nonsteroidal Anti-Inflammatory Drug: Statistical Modeling and Optimization

Industrial-based application of supercritical CO₂ (SCCO₂) has emerged as a promising technology in numerous scientific fields due to offering brilliant advantages, such as simplicity of application, eco-friendliness, and high performance. Loxoprofen sodium (chemical formula C₁₅H₁₈O₃) is known as an efficient nonsteroidal anti-inflammatory drug (NSAID), which has been long propounded as an effective alleviator for various painful disorders like musculoskeletal conditions. Although experimental research plays an important role in obtaining drug solubility in SCCO₂, the emergence of operational disadvantages such as high cost and long-time process duration has motivated the researchers to develop mathematical models based on artificial intelligence (AI) to predict this important parameter. Three distinct models have been used on the data in this work, all of which were based on decision trees: K-nearest neighbors (KNN), NU support vector machine (NU-SVR), and Gaussian process regression (GPR). The data set has two input characteristics, P (pressure) and T (temperature), and a single output, Y = solubility. After implementing and fine-tuning to the hyperparameters of these ensemble models, their performance has been evaluated using a variety of measures. The R-squared scores of all three models are greater than 0.9, however, the RMSE error rates are 1.879 × 10⁻⁴, 7.814 × 10⁻⁵, and 1.664 × 10⁻⁴ for the KNN, NU-SVR, and GPR models, respectively. MAE metrics of 1.116 × 10⁻⁴, 6.197 × 10⁻⁵, and 8.777 × 10⁻⁵errors were also discovered for the KNN, NU-SVR, and GPR models, respectively. A study was also carried out to determine the best quantity of solubility, which can be referred to as the (x₁ = 40.0, x₂ = 338.0, Y = 1.27 × 10⁻³) vector.     

Harnessing Protein-Ligand Interaction Fingerprints to Predict New Scaffolds of RIPK1 Inhibitors

Necroptosis has emerged as an exciting target in oncological, inflammatory, neurodegenerative, and autoimmune diseases, in addition to acute ischemic injuries. It is known to play a role in innate immune response, as well as in antiviral cellular response. Here we devised a concerted in silico and experimental framework to identify novel RIPK1 inhibitors, a key necroptosis factor. We propose the first in silico model for the prediction of new RIPK1 inhibitor scaffolds by combining docking and machine learning methodologies. Through the data analysis of patterns in docking results, we derived two rules, where rule #1 consisted of a four-residue signature filter, and rule #2 consisted of a six-residue similarity filter based on docking calculations. These were used in consensus with a machine learning QSAR model from data collated from ChEMBL, the literature, in patents, and from PubChem data. The models allowed for good prediction of actives of >90, 92, and 96.4% precision, respectively. As a proof-of-concept, we selected 50 compounds from the ChemBridge database, using a consensus of both molecular docking and machine learning methods, and tested them in a phenotypic necroptosis assay and a biochemical RIPK1 inhibition assay. A total of 7 of the 47 tested compounds demonstrated around 20–25% inhibition of RIPK1’s kinase activity but, more importantly, these compounds were discovered to occupy new areas of chemical space. Although no strong actives were found, they could be candidates for further optimization, particularly because they have new scaffolds. In conclusion, this screening method may prove valuable for future screening efforts as it allows for the exploration of new areas of the chemical space in a very fast and inexpensive manner, therefore providing efficient starting points amenable to further hit-optimization campaigns.     

基于一维标定物和改进进化策略的相机标定

为了解决运动参数光电探测过程中的相机标定问题,制作一种两端及中间各安装一个红外反光标记球的一维标定物.不需要其它复杂标定装置,只要将这种特制的一维标定物在测量空间内多次随意移动并摄取其图像,即可实现标定.算法首先假定主点位于像面中心附近的某个位置,再求出焦距、旋转矩阵、平移向量和比例因子,最后通过评价函数将相机标定转换成寻找两相机最佳主点对的非线性最小化问题.在传统进化策略中引进个体的自我改进系数、个体间距离等概念,提出了求取子代个体间的欧式距离并排序的方法,设计了搜索最佳主点对的改进型进化策略算法.与传统标定方法相比,基于一维标定物的方法克服了多相机场合的遮挡问题,改进进化策略的引入打破了一维标定物需做某种特殊运动的限制,使一维标定物自由运动时相机内、外参数的同时求解成为可能,改进的模拟退火进化策略改善了算法的全局收敛性能并加快了收敛速度.     

基于IAR visualSTATE的过欠压保护器设计

本文首先对过欠压保护器硬件进行了设计,包括电源电路、采集电路和磁保持单线圈继电器驱动电路。随后用IAR visualSTATE状态机软件对整个系统软件进行了设计,编写了输入输出相关事件和动作的API接口函数代码。IAR visualSTATE可以自行产生代码,ROM、RAM消耗量小,非常适宜嵌入式应用,开发完成后可以生成相关文档,便于日后软件维护和升级,大大缩小产品上市时间。     

Niehoff M5拉丝机国产化设计

针对NiehoffM5拉丝机结构特点及用户对铜丝产品质量的要求,对NiehoffM5拉丝机进行国产化设计,即加入退火装置。给出了退火装置的工作原理,设计要点和结构示意图。加入退火装置的NiehoffM5拉丝机生产出的产品的韧性、耐磨性等性能都得到了较大的提高。     

基于SVM的固化土无侧限抗压强度模型

为实现较少试验次数下固化土无侧限抗压强度(qu)的准确预测, 提出了基于支持向量机(SVM)的固化土qu的预测模型. 以固化剂各组分掺入比、龄期、初始含水量、固化剂掺量等因素为输入量, 固化土的qu作为输出量, 以径向基为核函数, 采用网格搜索法和交叉验证法进行参数优化, 建立了基于SVM的固化土qu的预测模型. 算例分析表明: 该模型适用于任意条件下固化土qu的精确预测, 且在较小试验成本下实现与响应面法相当的预测精度.     

A Comparative Analysis of Machine Learning Techniques for Muon Count in UHECR Extensive Air-Showers

The main goal of this work is to adapt a Physics problem to the Machine Learning (ML) domain and to compare several techniques to solve it. The problem consists of how to perform muon count from the signal registered by particle detectors which record a mix of electromagnetic and muonic signals. Finding a good solution could be a building block on future experiments. After proposing an approach to solve the problem, the experiments show a performance comparison of some popular ML models using two different hadronic models for the test data. The results show that the problem is suitable to be solved using ML as well as how critical the feature selection stage is regarding precision and model complexity.