Maize stalk rot reduces grain yield and quality.Information about the genetics of resistance to maize stalk rot could help breeders design effective breeding strategies for the trait.Genomic prediction may be a more e...Maize stalk rot reduces grain yield and quality.Information about the genetics of resistance to maize stalk rot could help breeders design effective breeding strategies for the trait.Genomic prediction may be a more effective breeding strategy for stalk-rot resistance than marker-assisted selection.We performed a genome-wide association study(GWAS)and genomic prediction of resistance in testcross hybrids of 677 inbred lines from the Tuxpe?o and non-Tuxpe?o heterotic pools grown in three environments and genotyped with 200,681 single-nucleotide polymorphisms(SNPs).Eighteen SNPs associated with stalk rot shared genomic regions with gene families previously associated with plant biotic and abiotic responses.More favorable SNP haplotypes traced to tropical than to temperate progenitors of the inbred lines.Incorporating genotype-by-environment(G×E)interaction increased genomic prediction accuracy.展开更多
The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted va...The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.展开更多
The bitterness of a drug is a major challenge for patient acceptability and compliance,especially for children.Due to the toxicity of medication,a human taste panel test has certain limitations.Atomoxetine hydrochlori...The bitterness of a drug is a major challenge for patient acceptability and compliance,especially for children.Due to the toxicity of medication,a human taste panel test has certain limitations.Atomoxetine hydrochloride(HCl),which is used for the treatment of attention deficit/hyperactivity disorder(ADHD),has an extremely bitter taste.The aim of this work is to quantitatively predict the bitterness of atomoxetine HCl by a biosensor system.Based on the mechanism of detection of the electronic tongue(Etongue),the bitterness of atomoxetine HCl was evaluated,and it was found that its bitterness was similar to that of quinine HCl.The bitterness threshold of atomoxetine HCl was 8.61μg/ml based on the Change of membrane Potential caused by Adsorption(CPA)value of the BT0 sensor.In this study,the taste-masking efficiency of 2-hydroxypropyl-β-cyclodextrin(HP-β-CyD)was assessed by Euclidean distances on a principle component analysis(PCA)map with the SA402B Taste Sensing System,and the host–guest interactions were investigated by differential scanning calorimetry(DSC),powder X-ray diffraction(XRD),nuclear magnetic resonance(NMR)spectroscopy and scanning electron microscopy(SEM).Biosensor evaluation and characterization of the inclusion complex indicated that atomoxetine HCl could actively react with 2-hydroxypropyl-β-cyclodextrin.展开更多
The movement of pedestrians involves temporal continuity,spatial interactivity,and random diversity.As a result,pedestrian trajectory prediction is rather challenging.Most existing trajectory prediction methods tend t...The movement of pedestrians involves temporal continuity,spatial interactivity,and random diversity.As a result,pedestrian trajectory prediction is rather challenging.Most existing trajectory prediction methods tend to focus on just one aspect of these challenges,ignoring the temporal information of the trajectory and making too many assumptions.In this paper,we propose a recurrent attention and interaction(RAI)model to predict pedestrian trajectories.The RAI model consists of a temporal attention module,spatial pooling module,and randomness modeling module.The temporal attention module is proposed to assign different weights to the input sequence of a target,and reduce the speed deviation of different pedestrians.The spatial pooling module is proposed to model not only the social information of neighbors in historical frames,but also the intention of neighbors in the current time.The randomness modeling module is proposed to model the uncertainty and diversity of trajectories by introducing random noise.We conduct extensive experiments on several public datasets.The results demonstrate that our method outperforms many that are state-ofthe-art.展开更多
Protein-protein interactions are of great significance for human to understand the functional mechanisms of proteins.With the rapid development of high-throughput genomic technologies,massive protein-protein interacti...Protein-protein interactions are of great significance for human to understand the functional mechanisms of proteins.With the rapid development of high-throughput genomic technologies,massive protein-protein interaction(PPI)data have been generated,making it very difficult to analyze them efficiently.To address this problem,this paper presents a distributed framework by reimplementing one of state-of-the-art algorithms,i.e.,CoFex,using MapReduce.To do so,an in-depth analysis of its limitations is conducted from the perspectives of efficiency and memory consumption when applying it for large-scale PPI data analysis and prediction.Respective solutions are then devised to overcome these limitations.In particular,we adopt a novel tree-based data structure to reduce the heavy memory consumption caused by the huge sequence information of proteins.After that,its procedure is modified by following the MapReduce framework to take the prediction task distributively.A series of extensive experiments have been conducted to evaluate the performance of our framework in terms of both efficiency and accuracy.Experimental results well demonstrate that the proposed framework can considerably improve its computational efficiency by more than two orders of magnitude while retaining the same high accuracy.展开更多
Alpha-synuclein plays an important role in Parkinson's disease(PD).The current study of alpha-synuclein mainly concentrates at the gene level.However, it is found that the study at the protein level has special si...Alpha-synuclein plays an important role in Parkinson's disease(PD).The current study of alpha-synuclein mainly concentrates at the gene level.However, it is found that the study at the protein level has special significance.Meanwhile, there is free information on the Internet, such as databases and algorithms of protein-protein interactions(PPIs).In this paper, a novel method which integrates distributed heterogeneous data sources and algorithms to predict PPIs for alpha-synuclein in silico is proposed.The PPIs generated by the method take advantage of various experimental data, and indicate new information about PPIs for alpha-synuclein.In the end of this paper, the result illustrates that the method is practical.It is hoped that the prediction result obtained by this method can provide guidance for biological experiments of PPIs for alpha-synuclein to reveal possible mechanisms of PD.展开更多
Protein–protein interactions (PPI) are important for many biological processes. Theoretical understanding of the structurally determining factors of interaction sites will help to understand the underlying mechanism ...Protein–protein interactions (PPI) are important for many biological processes. Theoretical understanding of the structurally determining factors of interaction sites will help to understand the underlying mechanism of protein–protein interactions. At the same time, understanding the complex structure of proteins helps to explore their function. And accurately predicting protein complexes from PPI networks helps us understand the relationship between proteins. In the past few decades, scholars have proposed many methods for predicting protein interactions and protein complex structures. In this review, we first briefly introduce the methods and servers for predicting protein interaction sites and interface residue pairs, and then introduce the protein complex structure prediction methods including template-based prediction and template-free prediction. Subsequently, this paper introduces the methods of predicting protein complexes from the PPI network and the method of predicting missing links in the PPI network. Finally, it briefly summarizes the application of machine/deep learning models in protein structure prediction and action site prediction.展开更多
Based on the fundamental definition of damage and inelastic strain energy hypothesis, this paper presents an inelastic strain energy damage model under creepfatigue interaction condition, with the damage constitutiona...Based on the fundamental definition of damage and inelastic strain energy hypothesis, this paper presents an inelastic strain energy damage model under creepfatigue interaction condition, with the damage constitutional equations and life prediction formulae respectively described by strain and stress. Creepfatigue tests with notchedbar specimens were carried out at 550. The actual creepfatigue lives are in good agreement to the predicted lives according to inelastic strain energy damage model.展开更多
In recent years,deep learning has been widely applied in the fields of recommendation systems and click-through rate(CTR)prediction,and thus recommendation models incorporating deep learning have emerged.In addition,t...In recent years,deep learning has been widely applied in the fields of recommendation systems and click-through rate(CTR)prediction,and thus recommendation models incorporating deep learning have emerged.In addition,the design and implementation of recommendation models using information related to user behavior sequences is an important direction of current research in recommendation systems,and models calculate the likelihood of users clicking on target items based on their behavior sequence information.In order to explore the relationship between features,this paper improves and optimizes on the basis of deep interest network(DIN)proposed by Ali’s team.Based on the user behavioral sequences information,the attentional factorization machine(AFM)is integrated to obtain richer and more accurate behavioral sequence information.In addition,this paper designs a new way of calculating attention weights,which uses the relationship between the cosine similarity of any two vectors and the absolute value of their modal length difference to measure their relevance degree.Thus,a novel deep learning CTR prediction mode is proposed,that is,the CTR prediction network based on user behavior sequence and feature interactions deep interest and machines network(DIMN).We conduct extensive comparison experiments on three public datasets and one private music dataset,which are more recognized in the industry,and the results show that the DIMN obtains a better performance compared with the classical CTR prediction model.展开更多
The maximum Mode Ⅰ and Mode Ⅱ stress intensity factors(SIFs), KI,kmax(θ) and KII,kmax(θ)(0°<θ<360°), of inclined parallel multi-crack varying with relative positions(including horizontal and verti...The maximum Mode Ⅰ and Mode Ⅱ stress intensity factors(SIFs), KI,kmax(θ) and KII,kmax(θ)(0°<θ<360°), of inclined parallel multi-crack varying with relative positions(including horizontal and vertical spacings) are calculated by the complex function and integration method to analyze their interacting mechanism and determine the strengthening and weakening zone of SIFs. The multi-crack initiation criterion is established based on the ratio of maximum tension-shear SIF to predict crack initiation angle, load, and mechanism. The results show that multi-crack always initiates in Mode Ⅰ and the vertical spacing is better not to be times of half crack-length for crack-arrest, which is in good agreement with test results of the red-sandstone cube specimens with three parallel cracks under uniaxial compression. This can prove the validity of the multi-crack initiation criterion.展开更多
In order to realize the aircraft trajectory prediction,a modified interacting multiple model(M-IMM) algorithm is proposed,which is based on the performance analysis of the standard interacting multiple model(IMM) algo...In order to realize the aircraft trajectory prediction,a modified interacting multiple model(M-IMM) algorithm is proposed,which is based on the performance analysis of the standard interacting multiple model(IMM) algorithm.In the proposed M-IMM algorithm,a new likelihood function is defined for the sake of updating flight mode probabilities,in which the influences of interacting to residual's mean error are taken into account and the assumption of likelihood function being a zero mean Gaussian function is discarded.Finally,the proposed M-IMM algorithm is applied to the simulation of the aircraft trajectory prediction,and the comparative studies are conducted to existing algorithms.The simulation results indicate the proposed M-IMM algorithm can predict aircraft trajectory more quickly and accurately.展开更多
Recently,many knowledge graph embedding models for knowledge graph completion have been proposed,ranging from the initial translation-based model such as TransE to recent CNN-based models such as ConvE.These models fi...Recently,many knowledge graph embedding models for knowledge graph completion have been proposed,ranging from the initial translation-based model such as TransE to recent CNN-based models such as ConvE.These models fill in the missing relations between entities by focusing on capturing the representation features to further complete the existing knowledge graph(KG).However,the above KG-based relation prediction research ignores the interaction information among entities in KG.To solve this problem,this work proposes a novel model called Gate Feature Interaction Network(GFINet)with a weighted loss function that takes the benefit of interaction information and deep expressive features together.Specifically,the proposed GFINet consists of a gate convolution block and an interaction attention module,corresponding to catching deep expressive features and interaction information based on these valid features respectively.Our method establishes state-of-the-art experimental results on the standard datasets for knowledge graph completion.In addition,we make ablation experiments to verify the effectiveness of the gate convolution block and the interaction attention module.展开更多
Chromatin interactions create spatial proximity between distal regulatory elements and target genes in the genome,which has an important impact on gene expression,transcriptional regulation,and phenotypic traits.To da...Chromatin interactions create spatial proximity between distal regulatory elements and target genes in the genome,which has an important impact on gene expression,transcriptional regulation,and phenotypic traits.To date,several methods have been developed for predicting gene expression.However,existing methods do not take into consideration the effect of chromatin interactions on target gene expression,thus potentially reducing the accuracy of gene expression prediction and mining of important regulatory elements.In this study,we developed a highly accurate deep learning-based gene expression prediction model(DeepCBA)based on maize chromatin interaction data.Compared with existing models,DeepCBA exhibits higher accuracy in expression classification and expression value prediction.The average Pearson correlation coefficients(PCCs)for predicting gene expression using gene promoter proximal interactions,proximaldistal interactions,and both proximal and distal interactions were 0.818,0.625,and 0.929,respectively,representing an increase of 0.357,0.16,and 0.469 over the PCCs obtained with traditional methods that use only gene proximal sequences.Some important motifs were identified through DeepCBA;they were enriched in open chromatin regions and expression quantitative trait loci and showed clear tissue specificity.Importantly,experimental results for the maize flowering-related gene ZmRap2.7 and the tillering-related gene ZmTb1 demonstrated the feasibility of DeepCBA for exploration of regulatory elements that affect gene expression.Moreover,promoter editing and verification of two reported genes(ZmCLE7 and ZmVTE4)demonstrated the utility of DeepCBA for the precise design of gene expression and even for future intelligent breeding.DeepCBA is available at http://www.deepcba.com/or http://124.220.197.196/.展开更多
In this work, we study predicting the effect of non-synonymous SNPs on several cancers. We trained classifiers on both sequential and structural features extracted from the affected genes and assessed the predictions ...In this work, we study predicting the effect of non-synonymous SNPs on several cancers. We trained classifiers on both sequential and structural features extracted from the affected genes and assessed the predictions made by the trained classifiers using cross validation. Specifically, we investigated how the prediction performance can be improved by connecting SNPs in the context of haplotype and interacting sites of proteins encoded by affected genes. We found that accuracy was consistently enhanced by combining sequential and structural features, with increase ranging from a few percentage points up to more than 20 percentage points. The results for putting SNPs in the context of interacting sites were less consistent. Compared to individual SNPs, these that appear together in haplotype showed stronger correlation with one another and with the phenotype, and therefore led to significant improvement inprediction performance, with ROC score increased from 0.81 to 0.95. Although some similar effect has been expected for connecting SNPs to interacting sites in proteins, the performance actually got worse. This decrease in prediction accuracy may be caused by the small data set being used in the study, as many affected proteins in the study do not have known interacting sites.展开更多
A genetic model was proposed for simultaneously analyzing genetic effects of nuclear, cytoplasm, and nuclear-cytoplasmic interaction (NCI) as well as their genotype by environment (GE) interaction for quantitative...A genetic model was proposed for simultaneously analyzing genetic effects of nuclear, cytoplasm, and nuclear-cytoplasmic interaction (NCI) as well as their genotype by environment (GE) interaction for quantitative traits of diploid plants. In the model, the NCI effects were further partitioned into additive and dominance nuclear-cytoplasmic interaction components. Mixed linear model approaches were used for statistical analysis. On the basis of diallel cross designs, Monte Carlo simulations showed that the genetic model was robust for estimating variance components under several situations without specific effects. Random genetic effects were predicted by an adjusted unbiased prediction (AUP) method. Data on four quantitative traits (boll number, lint percentage, fiber length, and micronaire) in Upland cotton (Gossypium hirsutum L.) were analyzed as a worked example to show the effectiveness of the model.展开更多
Energetics of helium-nanocavities interactions are crucial for unveiling underlying mechanisms of nanocavity evolution in nuclear materials.Nevertheless,it becomes intractable and even not feasible to obtain these ene...Energetics of helium-nanocavities interactions are crucial for unveiling underlying mechanisms of nanocavity evolution in nuclear materials.Nevertheless,it becomes intractable and even not feasible to obtain these energetics via atomic simulations with increasing nanocavity size and increasing helium content in nanocavities.Herein,a universal scaling law of helium-induced interaction energies in nanocavities in metal systems is proposed based on electrophobic interaction of helium.Based on this scaling law and ab-initio calculations,a predictive method for binding energies of helium and displacement defects to nanocavities of arbitrary sizes and with different helium/vacancy ratios is established for BCC iron as a representative and validated by atomic simulations.This predictive method reveals that the critical helium/vacancy ratio for helium-enhanced vacancy binding to nanocavities in-creases with increasing nanocavity size,and the helium/vacancy ratio giving the highest stability of nanocavities is about 1.6.The Ostwald ripening of nanocavities is delayed by helium to higher temper-atures due to reduced vacancy de-trapping rates from nanocavities.The proposed scaling law can be generalized to many metal systems studied in the nuclear materials community.Being readily coupled into mesoscale models of irradiation damages,this predictive method facilitates clarifying helium role in cavity swelling of metallic nuclear materials.展开更多
Drug-drug interaction(DDI)event prediction is a challenging problem,and accurate prediction of DDI events is critical to patient health and new drug development.Recently,many machine learning-based techniques have bee...Drug-drug interaction(DDI)event prediction is a challenging problem,and accurate prediction of DDI events is critical to patient health and new drug development.Recently,many machine learning-based techniques have been proposed for predicting DDI events.However,most of the existing methods do not effectively integrate the multidimensional features of drugs and provide poor mitigation of noise to get effective feature information.To address these limitations,we propose a DDI-Transform neural network framework for DDI event prediction.In DDI-Transform,we design a drug structure information feature extraction module and a drug bind-protein feature extraction module to obtain multidimensional feature information.A stack of DDI-Transform layers in the DDI-Transform network module are then used for adaptive learning,thus adaptively selecting the effective feature information for prediction.The results show that DDI-Transform can accurately predict DDI events and outperform the state-of-the-art models.Results on different scale datasets confirm the robustness of the method.展开更多
To dissect the genetic mechanism of multi-seed pod in peanut, we explored the QTL/gene controlling multi-seed pod and analyzed the interaction effect of QTL and environment. Two hundred and forty eight recombinant inb...To dissect the genetic mechanism of multi-seed pod in peanut, we explored the QTL/gene controlling multi-seed pod and analyzed the interaction effect of QTL and environment. Two hundred and forty eight recombinant inbred lines(RIL) from cross Silihong × Jinonghei 3 were used as experimental materials planted in 8 environments from 2012 to 2017. Three methods of analysis were performed. These included individual environment analysis, joint analysis in multiple environments, and epistatic interaction analysis for multi-seed pod QTL. Phenotypic data and best linear unbiased prediction(BLUP) value of the ratio of multi-seed pods per plant(RMSP) were used for QTL mapping. Seven QTL detected by the individual environmental mapping analysis and were distributed on linkage groups 1, 6, 9, 14, 19(2), and 21. Each QTL explained 4.42%–11.51% of the phenotypic variation in multi-seed pod, and synergistic alleles of5 QTL were from the Silihong parent. One QTL, explaining 4.93% of the phenotypic variation was detected using BLUP data, and this QTL mapped in the same interval as q RMSP19.1 detected in the individual environment analysis. Seventeen additive QTL were identified by joint analysis across multiple environments. A total of 43 epistatic QTL were detected by ICIM-EPI mapping in the multiple environment trials(MET) module, and involved 57 loci. Two main-effect QTL related to multi-seed pod in peanut were filtered. We also found that RMSP had a highly significant positive correlation with pod yield per plant(PY), and epistatic effects were much more important than additive effects. These results provide theoretical guidance for the genetic improvement of germplasm resources and further fine mapping of related genes in peanut.展开更多
基金funded by the CGIAR Research Program(CRP)on MAIZEthe USAID through the Accelerating Genetic Gains Supplemental Project(Amend.No.9 MTO 069033),and the One CGIAR Initiative on Accelerated Breeding+1 种基金funding from the governments of Australia,Belgium,Canada,China,France,India,Japan,the Republic of Korea,Mexico,the Netherlands,New Zealand,Norway,Sweden,Switzerland,the United Kingdom,the United States,and the World Banksupported by the China Scholarship Council。
文摘Maize stalk rot reduces grain yield and quality.Information about the genetics of resistance to maize stalk rot could help breeders design effective breeding strategies for the trait.Genomic prediction may be a more effective breeding strategy for stalk-rot resistance than marker-assisted selection.We performed a genome-wide association study(GWAS)and genomic prediction of resistance in testcross hybrids of 677 inbred lines from the Tuxpe?o and non-Tuxpe?o heterotic pools grown in three environments and genotyped with 200,681 single-nucleotide polymorphisms(SNPs).Eighteen SNPs associated with stalk rot shared genomic regions with gene families previously associated with plant biotic and abiotic responses.More favorable SNP haplotypes traced to tropical than to temperate progenitors of the inbred lines.Incorporating genotype-by-environment(G×E)interaction increased genomic prediction accuracy.
基金the National Natural Science Foundation ofChina (No.50764006)Young Foundation of Kunming University of Science and Tech-nology (No.KKZ200727021)the Applied Fundamental Research Foundation ofYunnan Province (Nos.2007E039M and 2006E0021M).
文摘The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.
基金Support received from the National Major Scientific and Technological Special Project for“Significant New Drugs Development”during the Thirteenth Five-year Plan Period,P.R.China(2018ZX09721003-002-004)the Major Research Project of Shandong Province,P.R.China(2018GSF118004)the Key Research and Development Program of Shandong Province,P.R.China(2018CXGC1411)for their support and encouragement in carrying out this work.
文摘The bitterness of a drug is a major challenge for patient acceptability and compliance,especially for children.Due to the toxicity of medication,a human taste panel test has certain limitations.Atomoxetine hydrochloride(HCl),which is used for the treatment of attention deficit/hyperactivity disorder(ADHD),has an extremely bitter taste.The aim of this work is to quantitatively predict the bitterness of atomoxetine HCl by a biosensor system.Based on the mechanism of detection of the electronic tongue(Etongue),the bitterness of atomoxetine HCl was evaluated,and it was found that its bitterness was similar to that of quinine HCl.The bitterness threshold of atomoxetine HCl was 8.61μg/ml based on the Change of membrane Potential caused by Adsorption(CPA)value of the BT0 sensor.In this study,the taste-masking efficiency of 2-hydroxypropyl-β-cyclodextrin(HP-β-CyD)was assessed by Euclidean distances on a principle component analysis(PCA)map with the SA402B Taste Sensing System,and the host–guest interactions were investigated by differential scanning calorimetry(DSC),powder X-ray diffraction(XRD),nuclear magnetic resonance(NMR)spectroscopy and scanning electron microscopy(SEM).Biosensor evaluation and characterization of the inclusion complex indicated that atomoxetine HCl could actively react with 2-hydroxypropyl-β-cyclodextrin.
基金supported by the National NaturalScience Foundation of China(U1811463)the Fundamental Research Funds for the Central Universities(12060093192)。
文摘The movement of pedestrians involves temporal continuity,spatial interactivity,and random diversity.As a result,pedestrian trajectory prediction is rather challenging.Most existing trajectory prediction methods tend to focus on just one aspect of these challenges,ignoring the temporal information of the trajectory and making too many assumptions.In this paper,we propose a recurrent attention and interaction(RAI)model to predict pedestrian trajectories.The RAI model consists of a temporal attention module,spatial pooling module,and randomness modeling module.The temporal attention module is proposed to assign different weights to the input sequence of a target,and reduce the speed deviation of different pedestrians.The spatial pooling module is proposed to model not only the social information of neighbors in historical frames,but also the intention of neighbors in the current time.The randomness modeling module is proposed to model the uncertainty and diversity of trajectories by introducing random noise.We conduct extensive experiments on several public datasets.The results demonstrate that our method outperforms many that are state-ofthe-art.
基金This work was supported in part by the National Natural Science Foundation of China(61772493)the CAAI-Huawei MindSpore Open Fund(CAAIXSJLJJ-2020-004B)+4 种基金the Natural Science Foundation of Chongqing(China)(cstc2019jcyjjqX0013)Chongqing Research Program of Technology Innovation and Application(cstc2019jscx-fxydX0024,cstc2019jscx-fxydX0027,cstc2018jszx-cyzdX0041)Guangdong Province Universities and College Pearl River Scholar Funded Scheme(2019)the Pioneer Hundred Talents Program of Chinese Academy of Sciencesthe Deanship of Scientific Research(DSR)at King Abdulaziz University(G-21-135-38).
文摘Protein-protein interactions are of great significance for human to understand the functional mechanisms of proteins.With the rapid development of high-throughput genomic technologies,massive protein-protein interaction(PPI)data have been generated,making it very difficult to analyze them efficiently.To address this problem,this paper presents a distributed framework by reimplementing one of state-of-the-art algorithms,i.e.,CoFex,using MapReduce.To do so,an in-depth analysis of its limitations is conducted from the perspectives of efficiency and memory consumption when applying it for large-scale PPI data analysis and prediction.Respective solutions are then devised to overcome these limitations.In particular,we adopt a novel tree-based data structure to reduce the heavy memory consumption caused by the huge sequence information of proteins.After that,its procedure is modified by following the MapReduce framework to take the prediction task distributively.A series of extensive experiments have been conducted to evaluate the performance of our framework in terms of both efficiency and accuracy.Experimental results well demonstrate that the proposed framework can considerably improve its computational efficiency by more than two orders of magnitude while retaining the same high accuracy.
基金supported by the National Basic Research Program of China (Grant No.2006CB500702)the Shanghai Lead-ing Academic Discipline Project (Grant No.J50103)Shanghai University Systems Biology Reasearch Funding (GrantNo.SBR08001)
文摘Alpha-synuclein plays an important role in Parkinson's disease(PD).The current study of alpha-synuclein mainly concentrates at the gene level.However, it is found that the study at the protein level has special significance.Meanwhile, there is free information on the Internet, such as databases and algorithms of protein-protein interactions(PPIs).In this paper, a novel method which integrates distributed heterogeneous data sources and algorithms to predict PPIs for alpha-synuclein in silico is proposed.The PPIs generated by the method take advantage of various experimental data, and indicate new information about PPIs for alpha-synuclein.In the end of this paper, the result illustrates that the method is practical.It is hoped that the prediction result obtained by this method can provide guidance for biological experiments of PPIs for alpha-synuclein to reveal possible mechanisms of PD.
基金Project supported by the National Natural Science Foundation of China (Grant No. 31670725)。
文摘Protein–protein interactions (PPI) are important for many biological processes. Theoretical understanding of the structurally determining factors of interaction sites will help to understand the underlying mechanism of protein–protein interactions. At the same time, understanding the complex structure of proteins helps to explore their function. And accurately predicting protein complexes from PPI networks helps us understand the relationship between proteins. In the past few decades, scholars have proposed many methods for predicting protein interactions and protein complex structures. In this review, we first briefly introduce the methods and servers for predicting protein interaction sites and interface residue pairs, and then introduce the protein complex structure prediction methods including template-based prediction and template-free prediction. Subsequently, this paper introduces the methods of predicting protein complexes from the PPI network and the method of predicting missing links in the PPI network. Finally, it briefly summarizes the application of machine/deep learning models in protein structure prediction and action site prediction.
文摘Based on the fundamental definition of damage and inelastic strain energy hypothesis, this paper presents an inelastic strain energy damage model under creepfatigue interaction condition, with the damage constitutional equations and life prediction formulae respectively described by strain and stress. Creepfatigue tests with notchedbar specimens were carried out at 550. The actual creepfatigue lives are in good agreement to the predicted lives according to inelastic strain energy damage model.
文摘In recent years,deep learning has been widely applied in the fields of recommendation systems and click-through rate(CTR)prediction,and thus recommendation models incorporating deep learning have emerged.In addition,the design and implementation of recommendation models using information related to user behavior sequences is an important direction of current research in recommendation systems,and models calculate the likelihood of users clicking on target items based on their behavior sequence information.In order to explore the relationship between features,this paper improves and optimizes on the basis of deep interest network(DIN)proposed by Ali’s team.Based on the user behavioral sequences information,the attentional factorization machine(AFM)is integrated to obtain richer and more accurate behavioral sequence information.In addition,this paper designs a new way of calculating attention weights,which uses the relationship between the cosine similarity of any two vectors and the absolute value of their modal length difference to measure their relevance degree.Thus,a novel deep learning CTR prediction mode is proposed,that is,the CTR prediction network based on user behavior sequence and feature interactions deep interest and machines network(DIMN).We conduct extensive comparison experiments on three public datasets and one private music dataset,which are more recognized in the industry,and the results show that the DIMN obtains a better performance compared with the classical CTR prediction model.
基金The authors are grateful for the financial supports from the National Natural Science Foundation of China(51874351,51474251)Hunan Provincial Innovation Foundation For Postgraduate,China(CX2018B047)the Open Sharing Fund for the Large-scale Instruments and Equipments of Central South University,China(CSUZC201923).
文摘The maximum Mode Ⅰ and Mode Ⅱ stress intensity factors(SIFs), KI,kmax(θ) and KII,kmax(θ)(0°<θ<360°), of inclined parallel multi-crack varying with relative positions(including horizontal and vertical spacings) are calculated by the complex function and integration method to analyze their interacting mechanism and determine the strengthening and weakening zone of SIFs. The multi-crack initiation criterion is established based on the ratio of maximum tension-shear SIF to predict crack initiation angle, load, and mechanism. The results show that multi-crack always initiates in Mode Ⅰ and the vertical spacing is better not to be times of half crack-length for crack-arrest, which is in good agreement with test results of the red-sandstone cube specimens with three parallel cracks under uniaxial compression. This can prove the validity of the multi-crack initiation criterion.
基金National Natural Science Foundation of China(No.71401072)Natural Science Foundation of Jiangsu Province,China(No.BK20130814)Fundamental Research Funds for the Central Universities,China(No.NS2013064)
文摘In order to realize the aircraft trajectory prediction,a modified interacting multiple model(M-IMM) algorithm is proposed,which is based on the performance analysis of the standard interacting multiple model(IMM) algorithm.In the proposed M-IMM algorithm,a new likelihood function is defined for the sake of updating flight mode probabilities,in which the influences of interacting to residual's mean error are taken into account and the assumption of likelihood function being a zero mean Gaussian function is discarded.Finally,the proposed M-IMM algorithm is applied to the simulation of the aircraft trajectory prediction,and the comparative studies are conducted to existing algorithms.The simulation results indicate the proposed M-IMM algorithm can predict aircraft trajectory more quickly and accurately.
基金supported in part by the Science and Technology Innovation 2030-"New Generation of Artificial Intelligence"Major Project under Grant No.2021ZD0111000the Henan Province Science and Technology Research Project(232102311232).
文摘Recently,many knowledge graph embedding models for knowledge graph completion have been proposed,ranging from the initial translation-based model such as TransE to recent CNN-based models such as ConvE.These models fill in the missing relations between entities by focusing on capturing the representation features to further complete the existing knowledge graph(KG).However,the above KG-based relation prediction research ignores the interaction information among entities in KG.To solve this problem,this work proposes a novel model called Gate Feature Interaction Network(GFINet)with a weighted loss function that takes the benefit of interaction information and deep expressive features together.Specifically,the proposed GFINet consists of a gate convolution block and an interaction attention module,corresponding to catching deep expressive features and interaction information based on these valid features respectively.Our method establishes state-of-the-art experimental results on the standard datasets for knowledge graph completion.In addition,we make ablation experiments to verify the effectiveness of the gate convolution block and the interaction attention module.
基金supported by the Biological Breeding-Major Projects(2023ZD04076)the National Key Research and Development Program of China(2022YFD1201504)+3 种基金the Fundamental Research Funds for the Central Universities(2662022YLYJ010,2021ZKPY018,2662021JC008,and SZYJY2021003)the Major Project of Hubei Hongshan Laboratory(2022HSZD031)the Major Science and Technology Project of Hubei Province(2021AFB002)the Yingzi Tech&Huazhong Agricultural University Intelligent Research Institute of Food Health(IRIFH202209).
文摘Chromatin interactions create spatial proximity between distal regulatory elements and target genes in the genome,which has an important impact on gene expression,transcriptional regulation,and phenotypic traits.To date,several methods have been developed for predicting gene expression.However,existing methods do not take into consideration the effect of chromatin interactions on target gene expression,thus potentially reducing the accuracy of gene expression prediction and mining of important regulatory elements.In this study,we developed a highly accurate deep learning-based gene expression prediction model(DeepCBA)based on maize chromatin interaction data.Compared with existing models,DeepCBA exhibits higher accuracy in expression classification and expression value prediction.The average Pearson correlation coefficients(PCCs)for predicting gene expression using gene promoter proximal interactions,proximaldistal interactions,and both proximal and distal interactions were 0.818,0.625,and 0.929,respectively,representing an increase of 0.357,0.16,and 0.469 over the PCCs obtained with traditional methods that use only gene proximal sequences.Some important motifs were identified through DeepCBA;they were enriched in open chromatin regions and expression quantitative trait loci and showed clear tissue specificity.Importantly,experimental results for the maize flowering-related gene ZmRap2.7 and the tillering-related gene ZmTb1 demonstrated the feasibility of DeepCBA for exploration of regulatory elements that affect gene expression.Moreover,promoter editing and verification of two reported genes(ZmCLE7 and ZmVTE4)demonstrated the utility of DeepCBA for the precise design of gene expression and even for future intelligent breeding.DeepCBA is available at http://www.deepcba.com/or http://124.220.197.196/.
文摘In this work, we study predicting the effect of non-synonymous SNPs on several cancers. We trained classifiers on both sequential and structural features extracted from the affected genes and assessed the predictions made by the trained classifiers using cross validation. Specifically, we investigated how the prediction performance can be improved by connecting SNPs in the context of haplotype and interacting sites of proteins encoded by affected genes. We found that accuracy was consistently enhanced by combining sequential and structural features, with increase ranging from a few percentage points up to more than 20 percentage points. The results for putting SNPs in the context of interacting sites were less consistent. Compared to individual SNPs, these that appear together in haplotype showed stronger correlation with one another and with the phenotype, and therefore led to significant improvement inprediction performance, with ROC score increased from 0.81 to 0.95. Although some similar effect has been expected for connecting SNPs to interacting sites in proteins, the performance actually got worse. This decrease in prediction accuracy may be caused by the small data set being used in the study, as many affected proteins in the study do not have known interacting sites.
基金This work was supported by Chinese National Programs for High Technology Research and Development(973 Program)(No.2004CB117306).
文摘A genetic model was proposed for simultaneously analyzing genetic effects of nuclear, cytoplasm, and nuclear-cytoplasmic interaction (NCI) as well as their genotype by environment (GE) interaction for quantitative traits of diploid plants. In the model, the NCI effects were further partitioned into additive and dominance nuclear-cytoplasmic interaction components. Mixed linear model approaches were used for statistical analysis. On the basis of diallel cross designs, Monte Carlo simulations showed that the genetic model was robust for estimating variance components under several situations without specific effects. Random genetic effects were predicted by an adjusted unbiased prediction (AUP) method. Data on four quantitative traits (boll number, lint percentage, fiber length, and micronaire) in Upland cotton (Gossypium hirsutum L.) were analyzed as a worked example to show the effectiveness of the model.
基金supported by National MCF Energy R&D Program (2022YFE03110000)National Natural Science Foundation of China(Grant No.12192280,11935004,12275009).
文摘Energetics of helium-nanocavities interactions are crucial for unveiling underlying mechanisms of nanocavity evolution in nuclear materials.Nevertheless,it becomes intractable and even not feasible to obtain these energetics via atomic simulations with increasing nanocavity size and increasing helium content in nanocavities.Herein,a universal scaling law of helium-induced interaction energies in nanocavities in metal systems is proposed based on electrophobic interaction of helium.Based on this scaling law and ab-initio calculations,a predictive method for binding energies of helium and displacement defects to nanocavities of arbitrary sizes and with different helium/vacancy ratios is established for BCC iron as a representative and validated by atomic simulations.This predictive method reveals that the critical helium/vacancy ratio for helium-enhanced vacancy binding to nanocavities in-creases with increasing nanocavity size,and the helium/vacancy ratio giving the highest stability of nanocavities is about 1.6.The Ostwald ripening of nanocavities is delayed by helium to higher temper-atures due to reduced vacancy de-trapping rates from nanocavities.The proposed scaling law can be generalized to many metal systems studied in the nuclear materials community.Being readily coupled into mesoscale models of irradiation damages,this predictive method facilitates clarifying helium role in cavity swelling of metallic nuclear materials.
文摘Drug-drug interaction(DDI)event prediction is a challenging problem,and accurate prediction of DDI events is critical to patient health and new drug development.Recently,many machine learning-based techniques have been proposed for predicting DDI events.However,most of the existing methods do not effectively integrate the multidimensional features of drugs and provide poor mitigation of noise to get effective feature information.To address these limitations,we propose a DDI-Transform neural network framework for DDI event prediction.In DDI-Transform,we design a drug structure information feature extraction module and a drug bind-protein feature extraction module to obtain multidimensional feature information.A stack of DDI-Transform layers in the DDI-Transform network module are then used for adaptive learning,thus adaptively selecting the effective feature information for prediction.The results show that DDI-Transform can accurately predict DDI events and outperform the state-of-the-art models.Results on different scale datasets confirm the robustness of the method.
基金supported by the China Agriculture Research System(CARS-13)the National Natural Science Foundation of China(31771833)+1 种基金the Hebei Province Science and Technology Support Program(16226301D)Key Projects of Science and Technology Research in Higher Education Institution of Hebei province(ZD2015056)
文摘To dissect the genetic mechanism of multi-seed pod in peanut, we explored the QTL/gene controlling multi-seed pod and analyzed the interaction effect of QTL and environment. Two hundred and forty eight recombinant inbred lines(RIL) from cross Silihong × Jinonghei 3 were used as experimental materials planted in 8 environments from 2012 to 2017. Three methods of analysis were performed. These included individual environment analysis, joint analysis in multiple environments, and epistatic interaction analysis for multi-seed pod QTL. Phenotypic data and best linear unbiased prediction(BLUP) value of the ratio of multi-seed pods per plant(RMSP) were used for QTL mapping. Seven QTL detected by the individual environmental mapping analysis and were distributed on linkage groups 1, 6, 9, 14, 19(2), and 21. Each QTL explained 4.42%–11.51% of the phenotypic variation in multi-seed pod, and synergistic alleles of5 QTL were from the Silihong parent. One QTL, explaining 4.93% of the phenotypic variation was detected using BLUP data, and this QTL mapped in the same interval as q RMSP19.1 detected in the individual environment analysis. Seventeen additive QTL were identified by joint analysis across multiple environments. A total of 43 epistatic QTL were detected by ICIM-EPI mapping in the multiple environment trials(MET) module, and involved 57 loci. Two main-effect QTL related to multi-seed pod in peanut were filtered. We also found that RMSP had a highly significant positive correlation with pod yield per plant(PY), and epistatic effects were much more important than additive effects. These results provide theoretical guidance for the genetic improvement of germplasm resources and further fine mapping of related genes in peanut.