High throughput screening of single atomic catalysts with optimized local structures for the electrochemical oxygen reduction by machine learning

Single atomic catalysts(SACs),especially metal-nitrogen doped carbon(M-NC)catalysts,have been extensively explored for the electrochemical oxygen reduction reaction(ORR),owing to their high activity and atomic utilization efficiency.However,there is still a lack of systematic screening and optimization of local structures surrounding active centers of SACs for ORR as the local coordination has an essential impact on their electronic structures and catalytic performance.Herein,we systematic study the ORR catalytic performance of M-NC SACs with different central metals and environmental atoms in the first and second coordination sphere by using density functional theory(DFT)calculation and machine learning(ML).The geometric and electronic informed overpotential model(GEIOM)based on random forest algorithm showed the highest accuracy,and its R^(2) and root mean square errors(RMSE)were 0.96 and 0.21,respectively.30 potential high-performance catalysts were screened out by GEIOM,and the RMSE of the predicted result was only 0.12 V.This work not only helps us fast screen high-performance catalysts,but also provides a low-cost way to improve the accuracy of ML models.

Identification of navigation characteristics of single otter trawl vessel using four machine learning models

Fishing logbook records the fishing behaviors and other information of fishing vessels.However,the accuracy of the recorded information is often difficult to guarantee due to the misreport and concealment.The fishing vessel monitoring system(VMS)can monitor and record the navigation information of fishing vessels in real time,and it may be used to improve the accuracy of identifying the state of fishing vessels.If the VMS data and fishing logbook are combined to establish their relationships,then the navigation characteristics and fishing behavior of fishing vessels can be more accurately identified.Therefore,first,a method for determining the state of VMS data points using fishing log data was proposed.Secondly,the relationship between VMS data and the different states of fishing vessels was further explored.Thirdly,the state of the fishing vessel was predicted using VMS data by building machine learning models.The speed,heading,longitude,latitude,and time as features from the VMS data were extracted by matching the VMS and logbook data of three single otter trawl vessels from September 2012 to January 2013,and four machine learning models were established,i.e.,Random Forest(RF),Adaptive Boosting(AdaBoost),K-Nearest Neighbor(KNN),and Gradient Boosting Decision Tree(GBDT)to predict the behavior of fishing vessels.The prediction performances of the models were evaluated by using normalized confusion matrix and receiver operator characteristic curve.Results show that the importance rankings of spatial(longitude and latitude)and time features were higher than those of speed and heading.The prediction performances of the RF and AdaBoost models were higher than those of the KNN and GBDT models.RF model showed the highest prediction performance for fishing state.Meanwhile,AdaBoost model exhibited the highest prediction performance for non-fishing state.This study offered a technical basis for judging the navigation characteristics of fishing vessels,which improved the algorithm for judging the behavior of fishing vessels based on VMS data,enhanced the prediction accuracy,and upgraded the fishery management being more scientific and efficient.

Joint Optimization of Imperfect Preventive Maintenance and Production Scheduling for Single Machine Based on Game Theory Method

In this study,an optimization model of a single machine system integrating imperfect preventive maintenance planning and production scheduling based on game theory is proposed.The costs of the production department and the maintenance department are minimized,respectively.Two kinds of three-stage dynamic game models and a backward induction method are proposed to determine the preventive maintenance(PM)threshold.A lemma is presented to obtain the exact solution.A comprehensive numerical study is provided to illustrate the proposed maintenance model.The effectiveness is also validated by comparison with other two existed optimization models.

Why high grain yield can be achieved in single seedling machine-transplanted hybrid rice under dense planting conditions?

This study was conducted to identify the factors associated with high grain yield in single seedling machine-transplanted hybrid rice under dense planting conditions. Field experiments were done in Yong＇an Town, Hunan Province, China in 2015 and 2016. Two hybrid rice cultivars were grown under single seedling machine transplanting （SMT） and conventional machine transplanting （CMT） at a high planting density in each year. Grain yield and yield attributes were compared between SMT and CMT. Averaged across cultivars and years, grain yield was 12％ higher under SMT than under CMT. Plant height, basal stem width, and shoot and root dry weights were higher in seedlings for SMT than those for CMT. SMT had less maximum tiller number per m2 and consequently less panicle number per m2 than did CMT. Branch number per panicle, especially the secondary branch number per panicle, and spikelet number per cm of panicle length were more under SMT than under CMT, which resulted in more spikelet number per panicle under SMT than under CMT. SMT had higher or equal spikelet filling percentage than did CMT. The difference in grain weight between SMT and CMT was relatively small and inconsistent cross years. SMT had higher or equal total biomass and harvest index than did CMT. Dry weight per stem under SMT was heavier than that under CMT. Larger leaf area per stem was partly responsible for the heavier dry weight per stem under SMT than under CMT. Our study suggests that improvement in seedling quality, panicle size, and dry weight per stem are critical to the high grain yield in single seedling machine-transplanted hybrid rice under dense planting conditions.

Rolling optimization algorithm based on collision window for single machine scheduling problem

Focusing on the single machine scheduling problem which minimizes the total completion time in the presence of dynamic job arrivals, a rolling optimization scheduling algorithm is proposed based on the analysis of the character and structure of scheduling. An optimal scheduling strategy in collision window is presented. Performance evaluation of this algorithm is given. Simulation indicates that the proposed algorithm is better than other common heuristic algorithms on both the total performance and stability.

Robust single machine scheduling problem with uncertain job due dates for industrial mass production

The single machine scheduling problem which involves uncertain job due dates is one of the most important issues in the real make-to-order environment. To deal with the uncertainty, this paper establishes a robust optimization model by minimizing the maximum tardiness in the worst case scenario over all jobs. Unlike the traditional stochastic programming model which requires exact distributions, our model only needs the information of due date intervals. The worst case scenario for a given sequence that belongs to a set containing only n scenarios is proved, where n is the number of jobs. Then, the model is simplified and reformulated as an equivalent mixed 0-1 integer linear programming(MILP) problem. To solve the MILP problems efficiently, a heuristic approach is proposed based on a robust dominance rule. The experimental results show that the proposed method has the advantages of robustness and high calculating efficiency, and it is feasible for large-scale problems.

Single and Mitochondrial Gene Inheritance Disorder Prediction Using Machine Learning

One of the most difficult jobs in the post-genomic age is identifying a genetic disease from a massive amount of genetic data.Furthermore,the complicated genetic disease has a very diverse genotype,making it challenging to find genetic markers.This is a challenging process since it must be completed effectively and efficiently.This research article focuses largely on which patients are more likely to have a genetic disorder based on numerous medical parameters.Using the patient’s medical history,we used a genetic disease prediction algorithm that predicts if the patient is likely to be diagnosed with a genetic disorder.To predict and categorize the patient with a genetic disease,we utilize several deep and machine learning techniques such as Artificial neural network(ANN),K-nearest neighbors(KNN),and Support vector machine(SVM).To enhance the accuracy of predicting the genetic disease in any patient,a highly efficient approach was utilized to control how the model can be used.To predict genetic disease,deep and machine learning approaches are performed.The most productive tool model provides more precise efficiency.The simulation results demonstrate that by using the proposed model with the ANN,we achieve the highest model performance of 85.7%,84.9%,84.3%accuracy of training,testing and validation respectively.This approach will undoubtedly transform genetic disorder prediction and give a real competitive strategy to save patients’lives.

The single-machine scheduling problems with deteriorating jobs and learning effect

In this paper we consider a single-machine scheduling model with deteriorating jobs and simultaneous learning, and we introduce polynomial solutions for single machine makespan minimization, total flow times minimization and maximum lateness minimization corresponding to the first and second special cases of our model under some agreeable conditions. However, corresponding to the third special case of our model, we show that the optimal schedules may be different from those of the classical version for the above objective functions.

Deep Cutting Plane Inequalities for Stochastic Non-Preemptive Single Machine Scheduling Problem

We study the classical single machine scheduling problem but with uncertainty. A robust optimization model is presented, and an effective deep cut is derived. Numerical experiments show effectiveness of the derived cut.

Zero-sequence Current Suppressing Strategy for Dual Three-phase Permanent Magnet Synchronous Machines Connected with Single Neutral Point

Dual three-phase permanent-magnet synchronous machines(DTP-PMSM)connected with a single neutral point provide a loop for zero-sequence current(ZSC).This paper proposes a novel space vector pulse width modulation(SVPWM)strategy to suppress the ZSC.Five vectors are selected as basic voltage vectors in one switching period.The fundamental and harmonic planes and the zero-sequence plane are taken into consideration to synthesis the reference voltage vector.To suppress the ZSC,a non-zero zero-sequence voltage(ZSV)is generated to compensate the third harmonic back-EMF.Rather than triangular carrier modulation,the sawtooth carrier modulation strategy is used to generate asymmetric PWM signals.The modulation range is investigated to explore the variation of modulation range caused by considering the zero-sequence plane.With the proposed method,the ZSC can be considerably reduced.The simulated and experimental results are presented to validate the effectiveness of the proposed modulation strategy.

Modeling and Analysis of Single Machine Scheduling Based on Noncooperative Game Theory

Considering the independent optimization requirement for each demander of modernmanufacture, we explore the application of noncooperative game in production scheduling research,and model scheduling problem as competition of machine resources among a group of selfish jobs.Each job has its own performance objective. For the single machine, multi-jobs and non-preemptivescheduling problem, a noncooperative game model is established. Based on the model, many prob-lems about Nash equilibrium solution, such as the existence, quantity, properties of solution space,performance of solution and algorithm are discussed. The results are tested by numerical example.

Single-machine scheduling of two activities with slack: CPM to minimize the total tardiness

In a CPM network, the longest path problem is one of the most important subjects. According to the intrinsic principle of CPM network, the length of the paths between arbitrary two nodes is presented. Furthermore, the length of the longest path from start node to arbitrary node and from arbitrary node to end node is proposed. In view of a scheduling problem of two activities with float in the CPM scheduling, we put forward Barycenter Theory and prove this theory based on the algorithm of the length of the longest path. By this theory, we know which activity should be done firstly. At last, we show our theory by an example.

Dominance property based tabu search for single machine scheduling problems with family setups

The problem of minimizing the maximum lateness on a single machine with family setups is considered.To solve the problem, dominance property is studied and then introduced into the tabu search（TS） algorithm.With the dominance property, most unpromising neighbors can be excluded from the neighborhood, which makes the search process always focus on the most promising areas of the solution space.The proposed algorithms are tested both on the randomly generated problems and on the real-life problems.Computational results show that the proposed TS algorithm outperforms the best existing algorithm and can solve the real-life problems in about 1.3 on average.

Dominance rules for single machine schedule with sequence dependent setup and due date

Some dominance rules are proposed for the problems of scheduling N jobs on a single machine with due dates, sequence dependent setup times and no preemption. Two algorithms based on Ragatz＇ s branch and bound scheme are developed including the dominance rules where the objective is to minimize the maximum tardiness or the total tardiness. Computational experiments demonstrate the effectiveness of the dominance rules.

Number of Tardy Jobs of Single Machine Scheduling Problem with Variable Processing Time

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Machine Learning to Instruct Single Crystal Growth by Flux Method

Growth of high-quality single crystals is of great significance for research of condensed matter physics. The exploration of suitable growing conditions for single crystals is expensive and time-consuming, especially for ternary compounds because of the lack of ternary phase diagram. Here we use machine learning(ML) trained on our experimental data to predict and instruct the growth. Four kinds of ML methods, including support vector machine(SVM), decision tree, random forest and gradient boosting decision tree, are adopted. The SVM method is relatively stable and works well, with an accuracy of 81% in predicting experimental results. By comparison,the accuracy of laboratory reaches 36%. The decision tree model is also used to reveal which features will take critical roles in growing processes.

A Class of Single Machine Scheduling Problems with Variable Processing Time

In this paper, single machine scheduling problems with variable processing time are raised. The criterions of the problem considered are minimizing scheduling length of all jobs, flow time and number of tardy jobs and so on. The complexity of the problem is determined. [WT5HZ]

Strong NP-Hardness of Single Machine Scheduling Problems with Variable Processing Time

In this paper, single machine scheduling problems with variable processing time is discussed according to published instances of management engineering. Processing time of a job is the product of a “coefficient' of the job on position i and a “normal' processing time of the job. The criteria considered is to minimize scheduled length of all jobs. A lemma is proposed and proved. In no deadline constrained condition, the problem belongs to polynomial time algorithm. It is proved by using 3 partition that if the problem is deadline constrained, its complexity is strong NP hard. Finally, a conjuncture is proposed that is to be proved.

Parallel Machine Problems with a Single Server and Release Times

Parallel machine problems with a single server and release times are generalizations of classical parallel machine problems. Before processing, each job must be loaded on a machine, which takes a certain release times and a certain setup times. All these setups have to be done by a single server, which can handle at most one job at a time. In this paper, we continue studying the complexity result for parallel machine problem with a single and release times. New complexity results are derived for special cases.