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A data-driven reduced-order model for stiff chemical kinetics using dynamics-informed training

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Energy and AI 2024年第1期15卷 181-192页

作者： Vijayamanikandan Vijayarangan Harshavardhana A.Uranakara Shivam Barwey Riccardo malpica Galassi Mohammad Rafi Malik Mauro Valorani Venkat Raman Hong G.Im CCRC King Abdullah University of Science and TechnologyThuwalSaudi Arabia Argonne Leadership Computing Facility Argonne National LaboratoryLemontIL 60439USA Mechanical and Aerospace Engineering Department Sapienza University of RomeVia Eudossiana18Rome 00184Italy Department of Aerospace Engineering University of MichiganAnn ArborMI 48109USA

A data-based reduced-order model(ROM)is developed to accelerate the time integration of stiff chemically reacting systems by effectively removing the stiffness arising from a wide spectrum of chemical time ***,the objective of this work is to develop a ROM that acts as a non-stiff surrogate model for the time evolution of the thermochemical state vector(temperature and species mass fractions)during an otherwise highly stiff and nonlinear ignition *** model follows an encode-forecast-decode strategy that combines a nonlinear autoencoder(AE)for dimensionality reduction(encode and decode steps)with a neural ordinary differential equation(NODE)for modeling the dynamical system in the AE-provided latent space(forecasting step).By means of detailed timescale analysis by leveraging the dynamical system Jacobians,this work shows how data-based projection operators provided by autoencoders can inherently construct the latent spaces by removing unnecessary fast timescales,even more effectively than physics-based counterparts based on an eigenvalue analysis.A key finding is that the most significant degree of stiffness reduction is achieved through an end-to-end training strategy,where both AE and neural ODE parameters are optimized simultaneously,allowing the discovered latent space to be *** addition to end-to-end training,this work highlights the vital contribution of AE nonlinearity in the stiffness reduction *** the prediction of homogeneous ignition phenomena for H2-air and C2H4-air mixtures,the proposed ROM achieves several ordersof-magnitude increase in the integration time step size when compared to(a)a baseline CVODE solver for the full-chemical system,(b)statistical technique–principal component analysis(PCA),and(c)computational singular perturbation(CSP),a vetted physics-based stiffness-reducing modeling framework.

关键词： Stiff system Chemical kinetics Reacting flows Autoencoders Neural ODE

中世纪向近代过渡期间格拉那达王国之盐与饮食

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盐业史研究 2001年第4期 26-32页

作者： Antonio malpica CUELLO 郝名玮世界历史研究所

引言盐是中世纪经济生活中的一种非常重要的产品.其重要性体现在生产活动的许多方面:主要供食用,同时也用于贮存食物和食品加工.也就是说,盐通常用作调味品,并用于保存食物(特别是肉类和鱼类),从而就有了便于交易的剩余产品.此外,牛饲... 详细信息

引言盐是中世纪经济生活中的一种非常重要的产品.其重要性体现在生产活动的许多方面:主要供食用,同时也用于贮存食物和食品加工.也就是说,盐通常用作调味品,并用于保存食物(特别是肉类和鱼类),从而就有了便于交易的剩余产品.此外,牛饲料中也必须拌之以盐.

关键词：格拉那达王国盐业经济研究市政法令中世纪盐业史

显微镜下宫颈上皮细胞染色质变化的纹理图像分析及其与HPV的关系

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世界核心医学期刊文摘（妇产科学分册） 2006年第5期2卷 39-40页

作者： Guillaud M Adler-Storthz K. malpica a. M. Follen 柳蕴 Department of Gynecologic Oncology Center for Biomedical Engineering University of Texas M. D. Anderson Cancer Center 1515 Holcombe Blvd. Houston TX 77030 United States

In this study, we are testing the hypothesis that human papillomavirus (HPV) positivity is correlated with chromatin texture in the cell. Interim analyses are important since this study involves 2000 patients and generates 6000 biopsy specimens that will be subjected to quantitative histopathological analysis and correlated to HPV positivity as measured by the Hybrid Capture Ⅱ test (Digene; Gaithersberg, MD) and both HPV-DNA and mRNA by the polymerase chain reaction (PCR). The studies of optical technologies, from which we derive this sample, use the colposcopically directed and histopathologically classified cervical biopsy as the gold standard. In this report, we describe the results of an interim analysis of quantitative histopathology and chromatin texture as correlates of HPV infection using the cyto-savant system in cytologically and histopathologically negative specimens. Methods. A group of 1544 patients entered the optical technology trials,generating 3275 biopsies and 1544 Papanicolaou readings. Two hundred forty-eight patients were cytologically and histopathologically negative. Study pathologists reviewed histologic samples 3 times in a blinded fashion. Non-overlapping, quantitatively stained nuclei were selected from the samples by the pathologists. HPV testing was done using the PCR method and the Hybrid Capture Ⅱ test. Statistical analysis involved the creation of a classification matrix using a linear discriminant analysis. The matrix was trained on HPV-positive cells by PCR. The analysis included the random creation of both a training set and a validation set that were classified based on the discrimination score obtained by correlating nuclear texture with HPV positivity. Results. The sensitivity of the classification was 52- 54% and the specificity was 77- 78% . Overall, a 68% predicted accuracy was achieved for both the training set and the test set. The agreement of a test and training set shows that the sets created randomly are indeed similar,

关键词：宫颈上皮细胞 HPV 纹理图像活检标本染色质凝聚人类乳头瘤病毒阴道镜线性判别分析组织病理

性腺外盆腔部位的卵黄囊瘤:仍然是一个诊断难题

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临床与实验病理学杂志 2017年第3期33卷 296-296页

作者： Ravishankar S malpica a Ramalingam P 魏建国(译) 刘勇(校) 不详浙江省绍兴市人民医院病理科绍兴312000 江西省人民医院病理科南昌330006

作者回顾性分析1988～2016年15例女性患者性腺外卵黄囊瘤的临床病理学特点，包括患者年龄、临床表现、肿瘤部位、FIGO分期、组织学形态（是否出现Schiller—Duval小体、其它生殖细胞或体细胞成分）、免疫表型、治疗及结局；

关键词：性腺外卵黄囊瘤盆腔部诊断 FIGO分期临床表现病理学特点组织学形态女性患者

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低恶潜能卵巢浆液性肿瘤累及淋巴结

临床与实验病理学杂志 2010年第5期26卷 580-580页

作者： Djordjevic B malpica a. 李磊(摘译 ) 张仁亚(审校) 不详济宁医学院附属医院病理科济宁272029

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女性腹膜恶性间皮瘤164例临床病理分析

临床与实验病理学杂志 2021年第9期37卷 1103-1103页

作者：赵芳(摘译) 魏建国(审校) malpica a Euscher E D Marques-Piubelli M L 浙江省绍兴市中心医院妇产科绍兴312030 浙江省绍兴市人民医院病理科绍兴312000 不详

女性腹膜恶性间皮瘤较为罕见。该文作者介绍了其机构42年间(1974~2016年)164例此类病变的临床病理特征。回顾性复习患者的临床信息、病理结果、免疫表型结果及随访情况。所有病例均行HE染色切片检查。患者年龄3~85岁不等,中位年龄49岁... 详细信息

女性腹膜恶性间皮瘤较为罕见。该文作者介绍了其机构42年间(1974~2016年)164例此类病变的临床病理特征。回顾性复习患者的临床信息、病理结果、免疫表型结果及随访情况。所有病例均行HE染色切片检查。患者年龄3~85岁不等,中位年龄49岁。多数患者表现为腹部/盆腔疼痛,少数患者无症状,表现为副肿瘤综合征或颈部淋巴结肿大。9%患者有直接或间接接触石棉的病史。

关键词：颈部淋巴结肿大副肿瘤综合征盆腔疼痛随访情况临床信息免疫表型病理结果无症状