Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine （serine 1, serine 2, serine 3, and serine 4） in gas phase are investigated using the q...Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine （serine 1, serine 2, serine 3, and serine 4） in gas phase are investigated using the quantum scattering method with the non-empirical model potentials in single-center expansion. In the attachment energy range of 0-10 eV, three shape resonances for serine 1, serine 2, and serine 4 and four shape resonances for serine 3 are predicted. The one-dimensional potential energy curves of the temporary negative ions of electron-serine are calculated to explore the correlations between the shape resonance and the bond cleavage. The bond-cleavage selectivity of the different resonant states for a certain conformer is demonstrated, and the recent experimental results about the dissociative electron attachment to serine are interpreted on the basis of present calculations.展开更多
最近,基于自注意力的Transformer结构在不同领域的一系列任务上表现出非常好的性能。探索了基于Transformer编码器和LAS(listen,attend and spell)解码器的Transformer-LAS语音识别模型的效果,并针对Transformer不善于捕捉局部信息的问...最近,基于自注意力的Transformer结构在不同领域的一系列任务上表现出非常好的性能。探索了基于Transformer编码器和LAS(listen,attend and spell)解码器的Transformer-LAS语音识别模型的效果,并针对Transformer不善于捕捉局部信息的问题,使用Conformer代替Transformer,提出Conformer-LAS模型。由于Attention过于灵活的对齐方式,使得在嘈杂环境中的效果急剧下降,采用连接时序分类(connectionist temporal classification,CTC)辅助训练以加快收敛,并加入音素级别的中间CTC损失联合优化,提出了效果更好的Conformer-LAS-CTC语音识别模型。在开源中文普通话Aishell-1数据集上对提出来的模型进行验证,实验结果表明,Conformer-LAS-CTC相对于采用的基线BLSTM-LAS和Transformer-LAS模型在测试集上的字错率分别相对降低了22.58%和48.76%,模型最终字错误率为4.54%。展开更多
25,27-Dipropoxy-p-tert-butylcalix[4]crown-9 cone conformer 5 was readily synthesized via an intramolecular cyclization strategy in good yields. The structures of all the new compounds involved were confirmed by NMR, E...25,27-Dipropoxy-p-tert-butylcalix[4]crown-9 cone conformer 5 was readily synthesized via an intramolecular cyclization strategy in good yields. The structures of all the new compounds involved were confirmed by NMR, ESI-MS and elemental analyses. All of them were proved to be in the cone conformation.展开更多
针对使用Conformer模型的语音识别算法在实际应用时设备算力不足及资源缺乏的问题,提出一种基于Conformer模型间隔剪枝和参数量化相结合的模型压缩方法。实验显示,使用该方法压缩后,模型的实时率(real time factor, RTF)达到0.107614,...针对使用Conformer模型的语音识别算法在实际应用时设备算力不足及资源缺乏的问题,提出一种基于Conformer模型间隔剪枝和参数量化相结合的模型压缩方法。实验显示,使用该方法压缩后,模型的实时率(real time factor, RTF)达到0.107614,较基线模型的推理速度提升了16.2%,而识别准确率只下降了1.79%,并且模型大小也由原来的207.91MB下降到72.69MB。该方法在模型准确率损失很小的情况下,较大程度地提升了模型的适用性。展开更多
The scientific community recognizes the seriousness of rockbursts and the need for effective mitigation measures.The literature reports various successful applications of machine learning(ML)models for rockburst asses...The scientific community recognizes the seriousness of rockbursts and the need for effective mitigation measures.The literature reports various successful applications of machine learning(ML)models for rockburst assessment;however,a significant question remains unanswered:How reliable are these models,and at what confidence level are classifications made?Typically,ML models output single rockburst grade even in the face of intricate and out-of-distribution samples,without any associated confidence value.Given the susceptibility of ML models to errors,it becomes imperative to quantify their uncertainty to prevent consequential failures.To address this issue,we propose a conformal prediction(CP)framework built on traditional ML models(extreme gradient boosting and random forest)to generate valid classifications of rockburst while producing a measure of confidence for its output.The proposed framework guarantees marginal coverage and,in most cases,conditional coverage on the test dataset.The CP was evaluated on a rockburst case in the Sanshandao Gold Mine in China,where it achieved high coverage and efficiency at applicable confidence levels.Significantly,the CP identified several“confident”classifications from the traditional ML model as unreliable,necessitating expert verification for informed decision-making.The proposed framework improves the reliability and accuracy of rockburst assessments,with the potential to bolster user confidence.展开更多
The relative conformer energies of glycine are evaluated by using a focal point analysis expressed as（HF→MP2→MP3→CCSD→CCSD（T））.The conformer abundances at various temperatures（298–500 K） are calculated base...The relative conformer energies of glycine are evaluated by using a focal point analysis expressed as（HF→MP2→MP3→CCSD→CCSD（T））.The conformer abundances at various temperatures（298–500 K） are calculated based on the relative energies and Boltzmann statistical thermostatistical analysis with and without considering internal hindered rotations.A comparison between the available Raman spectrum and the electron momentum spectrum confirms that the influence of rigid-rotor hindered rotation on the conformational proportions of glycine is considerable,especially for the IIIp structure.The conformational interconversions are discussed.It is found that with increasing temperature,the mole fraction of IIn keeps constant and Ip structure can convert into IVn and IIIp,leading to the decrease in the weight of Ip and the increase in the weights of IVn and IIIp conformers,which is in accordance with experimental observations.展开更多
基金This work is supported by the National Natural Science Foundation of China （No.21303212 and No.21573209）, the Ministry of Science and Technology of China （No.2013CB834602）.
文摘Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine （serine 1, serine 2, serine 3, and serine 4） in gas phase are investigated using the quantum scattering method with the non-empirical model potentials in single-center expansion. In the attachment energy range of 0-10 eV, three shape resonances for serine 1, serine 2, and serine 4 and four shape resonances for serine 3 are predicted. The one-dimensional potential energy curves of the temporary negative ions of electron-serine are calculated to explore the correlations between the shape resonance and the bond cleavage. The bond-cleavage selectivity of the different resonant states for a certain conformer is demonstrated, and the recent experimental results about the dissociative electron attachment to serine are interpreted on the basis of present calculations.
文摘最近,基于自注意力的Transformer结构在不同领域的一系列任务上表现出非常好的性能。探索了基于Transformer编码器和LAS(listen,attend and spell)解码器的Transformer-LAS语音识别模型的效果,并针对Transformer不善于捕捉局部信息的问题,使用Conformer代替Transformer,提出Conformer-LAS模型。由于Attention过于灵活的对齐方式,使得在嘈杂环境中的效果急剧下降,采用连接时序分类(connectionist temporal classification,CTC)辅助训练以加快收敛,并加入音素级别的中间CTC损失联合优化,提出了效果更好的Conformer-LAS-CTC语音识别模型。在开源中文普通话Aishell-1数据集上对提出来的模型进行验证,实验结果表明,Conformer-LAS-CTC相对于采用的基线BLSTM-LAS和Transformer-LAS模型在测试集上的字错率分别相对降低了22.58%和48.76%,模型最终字错误率为4.54%。
基金the Research Foundation of Tongji Medical College,Huazhong University of Science and Technology(No.25514107)Project Chenguang of Wuhan City(No.200750731267)for financial support.
文摘25,27-Dipropoxy-p-tert-butylcalix[4]crown-9 cone conformer 5 was readily synthesized via an intramolecular cyclization strategy in good yields. The structures of all the new compounds involved were confirmed by NMR, ESI-MS and elemental analyses. All of them were proved to be in the cone conformation.
文摘针对使用Conformer模型的语音识别算法在实际应用时设备算力不足及资源缺乏的问题,提出一种基于Conformer模型间隔剪枝和参数量化相结合的模型压缩方法。实验显示,使用该方法压缩后,模型的实时率(real time factor, RTF)达到0.107614,较基线模型的推理速度提升了16.2%,而识别准确率只下降了1.79%,并且模型大小也由原来的207.91MB下降到72.69MB。该方法在模型准确率损失很小的情况下,较大程度地提升了模型的适用性。
文摘The scientific community recognizes the seriousness of rockbursts and the need for effective mitigation measures.The literature reports various successful applications of machine learning(ML)models for rockburst assessment;however,a significant question remains unanswered:How reliable are these models,and at what confidence level are classifications made?Typically,ML models output single rockburst grade even in the face of intricate and out-of-distribution samples,without any associated confidence value.Given the susceptibility of ML models to errors,it becomes imperative to quantify their uncertainty to prevent consequential failures.To address this issue,we propose a conformal prediction(CP)framework built on traditional ML models(extreme gradient boosting and random forest)to generate valid classifications of rockburst while producing a measure of confidence for its output.The proposed framework guarantees marginal coverage and,in most cases,conditional coverage on the test dataset.The CP was evaluated on a rockburst case in the Sanshandao Gold Mine in China,where it achieved high coverage and efficiency at applicable confidence levels.Significantly,the CP identified several“confident”classifications from the traditional ML model as unreliable,necessitating expert verification for informed decision-making.The proposed framework improves the reliability and accuracy of rockburst assessments,with the potential to bolster user confidence.
基金Project supported by the Young Scientists Funds of the National Natural Science Foundation of China(Grant Nos.11404154 and 11304136)
文摘The relative conformer energies of glycine are evaluated by using a focal point analysis expressed as（HF→MP2→MP3→CCSD→CCSD（T））.The conformer abundances at various temperatures（298–500 K） are calculated based on the relative energies and Boltzmann statistical thermostatistical analysis with and without considering internal hindered rotations.A comparison between the available Raman spectrum and the electron momentum spectrum confirms that the influence of rigid-rotor hindered rotation on the conformational proportions of glycine is considerable,especially for the IIIp structure.The conformational interconversions are discussed.It is found that with increasing temperature,the mole fraction of IIn keeps constant and Ip structure can convert into IVn and IIIp,leading to the decrease in the weight of Ip and the increase in the weights of IVn and IIIp conformers,which is in accordance with experimental observations.
