The optimization of polymer structures aims to determine an optimal sequence or topology that achieves a given target property or structural performance.This inverse design problem involves searching within a vast com...The optimization of polymer structures aims to determine an optimal sequence or topology that achieves a given target property or structural performance.This inverse design problem involves searching within a vast combinatorial phase space defined by components,se-quences,and topologies,and is often computationally intractable due to its NP-hard nature.At the core of this challenge lies the need to evalu-ate complex correlations among structural variables,a classical problem in both statistical physics and combinatorial optimization.To address this,we adopt a mean-field approach that decouples direct variable-variable interactions into effective interactions between each variable and an auxiliary field.The simulated bifurcation(SB)algorithm is employed as a mean-field-based optimization framework.It constructs a Hamiltonian dynamical system by introducing generalized momentum fields,enabling efficient decoupling and dynamic evolution of strongly coupled struc-tural variables.Using the sequence optimization of a linear copolymer adsorbing on a solid surface as a case study,we demonstrate the applica-bility of the SB algorithm to high-dimensional,non-differentiable combinatorial optimization problems.Our results show that SB can efficiently discover polymer sequences with excellent adsorption performance within a reasonable computational time.Furthermore,it exhibits robust con-vergence and high parallel scalability across large design spaces.The approach developed in this work offers a new computational pathway for polymer structure optimization.It also lays a theoretical foundation for future extensions to topological design problems,such as optimizing the number and placement of side chains,as well as the co-optimization of sequence and topology.展开更多
To fulfill the demands of applications under severe operational conditions,alloys should possess outstanding wear resistance at elevated temperatures.A Ti-Hf-Nb-V based refractory high entropy alloy(RHEA)was successfu...To fulfill the demands of applications under severe operational conditions,alloys should possess outstanding wear resistance at elevated temperatures.A Ti-Hf-Nb-V based refractory high entropy alloy(RHEA)was successfully produced using the directed energy deposition(DED)technique,which avoided the formation of fatal defects and showcased well-performed mechanical properties across a broad temperature spectrum.Strategic design of the oxidation sequence enabled the early formation of oxide nanolayers,which can form a polycrystalline oxide nanocoating under a complex stress condition to drastically reduce the wear rate from 2.69×10^(-4) mm^(3)·(N·m)^(−1) at room temperature to 6.90×10^(-7) mm^(3)·(N·m)^(−1) at 600℃.These results indicate that the application of additive manufacturing to fabricate RHEAs with superior wear resistance at high temperatures paves the way for the development of functional coatings designed to withstand extreme conditions.展开更多
On the basis of the relationship between the Hamiltonian of spin 1/2 quantum system under control and the energy level structure and transitions, a radio frequency pulse sequence is designed using intuitive and half c...On the basis of the relationship between the Hamiltonian of spin 1/2 quantum system under control and the energy level structure and transitions, a radio frequency pulse sequence is designed using intuitive and half counter-intuitive sequences of pulse to transfer the population of the 3-qubit system coherently. The effectiveness of the designed control sequence is verified through the system simulation experiment of the evolution of state. In principle, the design method of the control pulse sequence proposed can be generalized to use in the quantum systems of higher dimension.展开更多
Cellular vehicle-to-everything(C-V2X) communications is regarded as a promising and feasible solution for 5G-enabled vehicular communications and networking. In this paper, we investigate the pilot design and channel ...Cellular vehicle-to-everything(C-V2X) communications is regarded as a promising and feasible solution for 5G-enabled vehicular communications and networking. In this paper, we investigate the pilot design and channel estimation problem in MIMO-OFDM-based C-V2X systems with severe co-channel interference due to spectrum reusing among different V2X communication links. By using zero-correlation zone(ZCZ) sequences, we provide an interference-free pilot design scheme and a corresponding time-domain(TD) correlation-based channel estimation(TD-CCE) method. We employ the ZCZ sequences from the same family set to be designed as the TD pilot symbols and guarantee the pilot sequeneces for neighboring V2X communication links are code-division multiplexing(CDM). The co-channel pilot interference of the deisgned pilot symbols can be effectively eliminated by exploiting the provided TD-CCE method. Simulation results indicate that the accuracy of channel estimation can be effectively improved by the proposed scheme, whose performance is close to that of the non-interference situation.展开更多
At present,the polymerase chain reaction(PCR)amplification-based file retrieval method is the mostcommonly used and effective means of DNA file retrieval.The number of orthogonal primers limitsthe number of files that...At present,the polymerase chain reaction(PCR)amplification-based file retrieval method is the mostcommonly used and effective means of DNA file retrieval.The number of orthogonal primers limitsthe number of files that can be accurately accessed,which in turn affects the density in a single oligo poolof digital DNA storage.In this paper,a multi-mode DNA sequence design method based on PCR file retrie-val in a single oligonucleotide pool is proposed for high-capacity DNA data storage.Firstly,by analyzingthe maximum number of orthogonal primers at each predicted primer length,it was found that the rela-tionship between primer length and the maximum available primer number does not increase linearly,and the maximum number of orthogonal primers is on the order of 10^(4).Next,this paper analyzes themaximum address space capacity of DNA sequences with different types of primer binding sites for filemapping.In the case where the capacity of the primer library is R(where R is even),the number ofaddress spaces that can be mapped by the single-primer DNA sequence design scheme proposed in thispaper is four times that of the previous one,and the two-level primer DNA sequence design scheme can reach [R/2·(R/2-1)]^(2)times.Finally,a multi-mode DNA sequence generation method is designed based onthe number of files to be stored in the oligonucleotide pool,in order to meet the requirements of the ran-dom retrieval of target files in an oligonucleotide pool with large-scale file numbers.The performance ofthe primers generated by the orthogonal primer library generator proposed in this paper is verified,andthe average Gibbs free energy of the most stable heterodimer formed between the orthogonal primersproduced is−1 kcal·(mol·L^(−1))^(−1)(1 kcal=4.184 kJ).At the same time,by selectively PCR-amplifying theDNA sequences of the two-level primer binding sites for random access,the target sequence can be accu-rately read with a minimum of 10^(3) reads,when the primer binding site sequences at different positionsare mutually different.This paper provides a pipeline for orthogonal primer library generation and multi-mode mapping schemes between files and primers,which can help achieve precise random access to filesin large-scale DNA oligo pools.展开更多
The concept of the binary sequence pair is generalized from a single binary sequence. Binary sequence pairs are applied in many fields of radar, sonar or communication systems, in which signals with optimal periodic c...The concept of the binary sequence pair is generalized from a single binary sequence. Binary sequence pairs are applied in many fields of radar, sonar or communication systems, in which signals with optimal periodic correlation are required. Several types of almost perfect binary sequence pairs of length T = 2q are constructed, where q is an odd number. These almost perfect binary sequence pairs are based on binary ideal sequence or binary ideal two-level correlation sequence pairs by using Chinese remainder theorem. For these almost perfect binary sequence pairs with good balanced property, their corresponding divisible difference set pairs(DDSPs) are also derived.展开更多
Efficient translation mediated by the 5'untranslated region(5'UTR)is essential for the robust efficacy of mRNA vaccines.However,the N1-methyl-pseudouridine(m1)modification of mRNA can impact the translation ef...Efficient translation mediated by the 5'untranslated region(5'UTR)is essential for the robust efficacy of mRNA vaccines.However,the N1-methyl-pseudouridine(m1)modification of mRNA can impact the translation efficiency of the 5'UTR.We discovered that the optimal 5'UTR for m1y-modified mRNA(m1y-5'UTR)differs significantly from its unmodified counterpart,high-lighting the need for a specialized tool for designing mly-5'UTRs rather than directly utilizing high-expression endogenous gene 5'UTRs.In response,we developed a novel machine learning-based tool,Smart5UTR,which employs a deep generative model to identify superior m1y-5'UTRs in silico.The tailored loss function and network architecture enable Smart5UTR to overcome limitations inherent in existing models.As a result,Smart5UTR can successfully design superior 5'UTRs,greatly benefiting mRNA vaccine development.Notably,Smart5UTR-designed superior 5'UTRs significantly enhanced antibody titers induced by COVID-19 mRNA vaccines against the Delta and Omicron variants of SARS-CoV-2,surpassing the performance of vaccines using high-expression endogenous gene 5'UTRs.展开更多
Based upon quadratic polynomials over the finite field, a new class of frequency hopping sequences with large family size suitable for applications in time/frequency hopping CDMA systems, multi-user radar and sonar sy...Based upon quadratic polynomials over the finite field, a new class of frequency hopping sequences with large family size suitable for applications in time/frequency hopping CDMA systems, multi-user radar and sonar systems is proposed and investigated. It is shown that the new time/frequency hopping sequences have at most one hit in their autocorrelation functions and at most two hits in their crosscorrelation functions except for a special case, and their family size is much larger than the conventional quadratic hopping sequences. The percentage of full collisions for the new quadratic hopping sequences is discussed. In addition, the average number of hits for the new quadratic hopping sequences, quadratic congruence sequences, extended quadratic congruence sequences and the general linear hopping sequences are also derived.展开更多
基金supported by the Fundamental Research Funds for the Central Universities(No.2024JBZX029)Shijiazhuang High Level Science and Technology Innovation and Entrepreneurship Talent Project(No.08202307)the National Natural Science Foundation of China(NSFC)(No.22173004).
文摘The optimization of polymer structures aims to determine an optimal sequence or topology that achieves a given target property or structural performance.This inverse design problem involves searching within a vast combinatorial phase space defined by components,se-quences,and topologies,and is often computationally intractable due to its NP-hard nature.At the core of this challenge lies the need to evalu-ate complex correlations among structural variables,a classical problem in both statistical physics and combinatorial optimization.To address this,we adopt a mean-field approach that decouples direct variable-variable interactions into effective interactions between each variable and an auxiliary field.The simulated bifurcation(SB)algorithm is employed as a mean-field-based optimization framework.It constructs a Hamiltonian dynamical system by introducing generalized momentum fields,enabling efficient decoupling and dynamic evolution of strongly coupled struc-tural variables.Using the sequence optimization of a linear copolymer adsorbing on a solid surface as a case study,we demonstrate the applica-bility of the SB algorithm to high-dimensional,non-differentiable combinatorial optimization problems.Our results show that SB can efficiently discover polymer sequences with excellent adsorption performance within a reasonable computational time.Furthermore,it exhibits robust con-vergence and high parallel scalability across large design spaces.The approach developed in this work offers a new computational pathway for polymer structure optimization.It also lays a theoretical foundation for future extensions to topological design problems,such as optimizing the number and placement of side chains,as well as the co-optimization of sequence and topology.
基金supported by Guangdong Major Project of Basic and Applied Basic Research,China(No.2019B030302010)the Joint Research Scheme sponsored by the Research Grants Council of the Hong Kong Special Administrative Region,China and National Natural Science Foundation of China(Nos.N_PolyU523/20 and 52061160483)+4 种基金the National Natural Science Foundation of China(Nos.52104362,52071222,52471179,52471180 and 52001221)the National Key R&D Program of China(No.2022YFA1603800)the National Key Research and Development Program of China(No.2021YFA0716302)Guangdong Provincial Quantum Science Strategic Initiative(No.GDZX2301001)Guangdong Basic and Applied Basic Research,China(No.2020B1515130007).
文摘To fulfill the demands of applications under severe operational conditions,alloys should possess outstanding wear resistance at elevated temperatures.A Ti-Hf-Nb-V based refractory high entropy alloy(RHEA)was successfully produced using the directed energy deposition(DED)technique,which avoided the formation of fatal defects and showcased well-performed mechanical properties across a broad temperature spectrum.Strategic design of the oxidation sequence enabled the early formation of oxide nanolayers,which can form a polycrystalline oxide nanocoating under a complex stress condition to drastically reduce the wear rate from 2.69×10^(-4) mm^(3)·(N·m)^(−1) at room temperature to 6.90×10^(-7) mm^(3)·(N·m)^(−1) at 600℃.These results indicate that the application of additive manufacturing to fabricate RHEAs with superior wear resistance at high temperatures paves the way for the development of functional coatings designed to withstand extreme conditions.
基金supported by the National Natural Science Foundation of China (60774098)the National Key Basic Research Program (2006922004)
文摘On the basis of the relationship between the Hamiltonian of spin 1/2 quantum system under control and the energy level structure and transitions, a radio frequency pulse sequence is designed using intuitive and half counter-intuitive sequences of pulse to transfer the population of the 3-qubit system coherently. The effectiveness of the designed control sequence is verified through the system simulation experiment of the evolution of state. In principle, the design method of the control pulse sequence proposed can be generalized to use in the quantum systems of higher dimension.
文摘Cellular vehicle-to-everything(C-V2X) communications is regarded as a promising and feasible solution for 5G-enabled vehicular communications and networking. In this paper, we investigate the pilot design and channel estimation problem in MIMO-OFDM-based C-V2X systems with severe co-channel interference due to spectrum reusing among different V2X communication links. By using zero-correlation zone(ZCZ) sequences, we provide an interference-free pilot design scheme and a corresponding time-domain(TD) correlation-based channel estimation(TD-CCE) method. We employ the ZCZ sequences from the same family set to be designed as the TD pilot symbols and guarantee the pilot sequeneces for neighboring V2X communication links are code-division multiplexing(CDM). The co-channel pilot interference of the deisgned pilot symbols can be effectively eliminated by exploiting the provided TD-CCE method. Simulation results indicate that the accuracy of channel estimation can be effectively improved by the proposed scheme, whose performance is close to that of the non-interference situation.
基金supported by the fund from Tianjin Municipal Science and Technology Bureau(22JCYBJC01390).
文摘At present,the polymerase chain reaction(PCR)amplification-based file retrieval method is the mostcommonly used and effective means of DNA file retrieval.The number of orthogonal primers limitsthe number of files that can be accurately accessed,which in turn affects the density in a single oligo poolof digital DNA storage.In this paper,a multi-mode DNA sequence design method based on PCR file retrie-val in a single oligonucleotide pool is proposed for high-capacity DNA data storage.Firstly,by analyzingthe maximum number of orthogonal primers at each predicted primer length,it was found that the rela-tionship between primer length and the maximum available primer number does not increase linearly,and the maximum number of orthogonal primers is on the order of 10^(4).Next,this paper analyzes themaximum address space capacity of DNA sequences with different types of primer binding sites for filemapping.In the case where the capacity of the primer library is R(where R is even),the number ofaddress spaces that can be mapped by the single-primer DNA sequence design scheme proposed in thispaper is four times that of the previous one,and the two-level primer DNA sequence design scheme can reach [R/2·(R/2-1)]^(2)times.Finally,a multi-mode DNA sequence generation method is designed based onthe number of files to be stored in the oligonucleotide pool,in order to meet the requirements of the ran-dom retrieval of target files in an oligonucleotide pool with large-scale file numbers.The performance ofthe primers generated by the orthogonal primer library generator proposed in this paper is verified,andthe average Gibbs free energy of the most stable heterodimer formed between the orthogonal primersproduced is−1 kcal·(mol·L^(−1))^(−1)(1 kcal=4.184 kJ).At the same time,by selectively PCR-amplifying theDNA sequences of the two-level primer binding sites for random access,the target sequence can be accu-rately read with a minimum of 10^(3) reads,when the primer binding site sequences at different positionsare mutually different.This paper provides a pipeline for orthogonal primer library generation and multi-mode mapping schemes between files and primers,which can help achieve precise random access to filesin large-scale DNA oligo pools.
基金supported by the National Natural Science Foundation of China(6160140161501395+6 种基金6160139961671402)Natural Science Foundation of Hebei Province(F2015203150F2016203293F2016203312)Natural Science Research Programs of Hebei Educational Committee(QN2016120)the Independent Research Programs for Young Teachers of Yanshan University(15LGB013)
文摘The concept of the binary sequence pair is generalized from a single binary sequence. Binary sequence pairs are applied in many fields of radar, sonar or communication systems, in which signals with optimal periodic correlation are required. Several types of almost perfect binary sequence pairs of length T = 2q are constructed, where q is an odd number. These almost perfect binary sequence pairs are based on binary ideal sequence or binary ideal two-level correlation sequence pairs by using Chinese remainder theorem. For these almost perfect binary sequence pairs with good balanced property, their corresponding divisible difference set pairs(DDSPs) are also derived.
基金This work was financially supported by the Postdoctoral Research Foundation of National Key S&T Special Projects(2018ZX09201018-024,China)Sichuan Province Science and Technology Support Program(2022YFH0001 and 2021YFH0003,China).
文摘Efficient translation mediated by the 5'untranslated region(5'UTR)is essential for the robust efficacy of mRNA vaccines.However,the N1-methyl-pseudouridine(m1)modification of mRNA can impact the translation efficiency of the 5'UTR.We discovered that the optimal 5'UTR for m1y-modified mRNA(m1y-5'UTR)differs significantly from its unmodified counterpart,high-lighting the need for a specialized tool for designing mly-5'UTRs rather than directly utilizing high-expression endogenous gene 5'UTRs.In response,we developed a novel machine learning-based tool,Smart5UTR,which employs a deep generative model to identify superior m1y-5'UTRs in silico.The tailored loss function and network architecture enable Smart5UTR to overcome limitations inherent in existing models.As a result,Smart5UTR can successfully design superior 5'UTRs,greatly benefiting mRNA vaccine development.Notably,Smart5UTR-designed superior 5'UTRs significantly enhanced antibody titers induced by COVID-19 mRNA vaccines against the Delta and Omicron variants of SARS-CoV-2,surpassing the performance of vaccines using high-expression endogenous gene 5'UTRs.
基金the Scientific Research Fund of Southwestern University of FinanceEconomics and the National Natural Science Foundation of China (Grant No. 60572142)
文摘Based upon quadratic polynomials over the finite field, a new class of frequency hopping sequences with large family size suitable for applications in time/frequency hopping CDMA systems, multi-user radar and sonar systems is proposed and investigated. It is shown that the new time/frequency hopping sequences have at most one hit in their autocorrelation functions and at most two hits in their crosscorrelation functions except for a special case, and their family size is much larger than the conventional quadratic hopping sequences. The percentage of full collisions for the new quadratic hopping sequences is discussed. In addition, the average number of hits for the new quadratic hopping sequences, quadratic congruence sequences, extended quadratic congruence sequences and the general linear hopping sequences are also derived.
