User-friendly guarantees for the Langevin Monte Carlo with inaccurate gradient

In this paper, we study the problem of sampling from a given probability density function that is known to be smooth and strongly log-concave. We analyze several methods of approximate sampling based on discretizations of the (highly overdamped) Langevin diffusion and establish guarantees on its error measured in the Wasserstein-2 distance. Our guarantees improve or extend the state-of-the-art results in three directions. First, we provide an upper bound on the error of the first-order Langevin Monte Carlo (LMC) algorithm with optimized varying step-size. This result has the advantage of being horizon free (we do not need to know in advance the target precision) and to improve by a logarithmic factor the corresponding result for the constant step-size. Second, we study the case where accurate evaluations of the gradient of the log-density are unavailable, but one can have access to approximations of the aforementioned gradient. In such a situation, we consider both deterministic and stochastic approximations of the gradient and provide an upper bound on the sampling error of the first-order LMC that quantifies the impact of the gradient evaluation inaccuracies. Third, we establish upper bounds for two versions of the second-order LMC, which leverage the Hessian of the log-density. We provide non asymptotic guarantees on the sampling error of these second-order LMCs. These guarantees reveal that the second-order LMC algorithms improve on the first-order LMC in ill-conditioned settings.     

二层线性规划的自适应遗传算法

提出了一种自适应遗传算法来求解二层线性规划问题.该方法克服了难以确定合适的交叉概率和变异概率的困难.另外,在该方法中还采用了其它一些技巧不仅解决了在采用遗传算法经常出现的有些个体不可行的问题,而且还改进了算法的效率.     

直接驱动柱内爆流体力学不稳定性数值模拟

 给出了LARED-S程序对直接驱动柱内爆流体力学不稳定性模拟的物理方程，介绍了一种直接驱动柱内爆靶的结构，给出了模拟中使用活动网格追踪和其他一些需要注意的问题。对OMEGA激光器直接驱动柱内爆实验物理模型进行了简化处理：使用理想气体状态方程，假设烧蚀层、标识层和内部填充材料为同一介质，只在密度上有差别；采用全电离和单温近似，在内爆过程中仅考虑热传导过程而忽略辐射和非局域电子热传导等过程的影响。模拟结果表明：LARED-S程序与LASNEX程序的计算结果基本上符合。     

Homogenized equations for steady heat conduction in composite materials with dilutely-distributed impurities

In this paper.by using the two-space method,homogenizedequations for steady heat conduction in the composite ma-terial cylinders with dilutely-distributed elliptic cylin-ders of impurities are derived.and the ezplicit ezpres-sions for the corresponding effective heat conductivity ofthose which are concerned are obtained.It is also shownthat the macroscopic heat conduction is anisotropic whenthe cross-sections of the impurity cylinders are unidirec-tionally oriented and isotropic when the angular distribu-tion of the cross-sections is uniform.     

Zero-Field Splitting and g Factors for d2 Ions in Trigonally Distorted Cubic Crystal Fields

By successively taking into account various interactions for d² ions in trigonally distorted cubic crystal fields, detailed analyses, derivations and calculations of the zero-field splitting (ZFS) and g factors of the ground state have been carried out; and their physical essentials and origins have been clearly revealed. The mistakes and shortcomings in some references have been corrected and improved. The calculated results are in excellent agreement with experimental data and much better than those of previous work. It is found that both the combined action of the trigonal field and spin-orbit interaction and the interaction between the ground state and excited states are quite necessary for causing ZFS of the ground state, and both the spin-orbit interaction and the admixture between the ground state and excited states are necessary for causing the deviation of g factors of the ground state from spin-only values.     

Etude de la restauration de l'aluminium irradié aux electrons (Etape III)

The nature of the electron bombarded aluminium electrical recovery process has been studied by combining quenches with irradiations. Measured Frenkel pair formation rates per incident electrons as well as annealing kinetics emphasize the role of impurity interstitial trapping.     

荧光分析中铁镍锌对铜K_α射线强度的影响

能量色散X荧光分析(EDXRF)过程中,存在吸收增强效应影响分析准确性的问题。利用EDXRF测量Fe、Ni、Zn三种元素与Cu的六组伪二元系样品,根据实验结果对元素间的影响特征和影响程度进行了分析。并利用La-chance-Trail算法得到三组元素间的影响因子数值,Cu和Fe以及Cu和Zn之间的影响效应随元素含量变化较明显,分别在0.38～0.70和0.43～0.65之间,Cu和Ni之间的影响效应不明显。对Cu-Zn二元系中Cu含量实际计算结果相对误差均在5%以内。     

Focal plane wave-front sensing algorithm for high-contrast imaging

High-contrast imaging provided by a coronagraph is critical for the direction imaging of the Earth-like planet orbiting its bright parent star. A major limitation for such direct imaging is the speckle noise that is induced from the wave-front error of an optical system. We derive an algorithm for the wave-front measurement directly from 3 focal plane images. The 3 images are achieved through a deformable mirror to provide specific phases for the optics system. We introduce an extra amplitude modulation on one deformable mirror configuration to create an uncorrelated wave-front, which is a critical procedure for wave-front sensing. The simulation shows that the reconstructed wave-front is consistent with the original wave-front theoretically, which indicates that such an algorithm is a promising technique for the wave-front measurement for the high-contrast imaging. Supported by the National Natural Science Foundation of China (Grant No. 10873024)     

Stochastic quantum molecular dynamics for finite and extended systems

We present a detailed account of the technical aspects of stochastic quantum molecular dynamics, an approach introduced recently by the authors [H. Appel, M. Di Ventra, Phys. Rev. B 80 (2009) 212303] to describe coupled electron-ion dynamics in open quantum systems. As example applications of the method we consider both finite systems with and without ionic motion, as well as describe its applicability to extended systems in the limit of classical ions. The latter formulation allows the study of important phenomena such as decoherence and energy relaxation in bulk systems and surfaces in the presence of time-dependent fields.     

Comparison of three methods for fractionation and enrichment of low molecular weight proteins for SELDI-TOF-MS differential analysis

In most diseases, the clinical need for serum/plasma markers has never been so crucial, not only for diagnosis, but also for the selection of the most efficient therapies, as well as exclusion of ineffective or toxic treatment. Due to the high sample complexity, prefractionation is essential for exploring the deep proteome and finding specific markers.In this study, three different sample preparation methods (i.e., highly abundant protein precipitation, restricted access materials (RAM) combined with IMAC chromatography and peptide ligand affinity beads) were investigated in order to select the best fractionation step for further differential proteomic experiments focusing on the LMW proteome (MW inferior to 40,000 Da). Indeed, the aim was not to cover the entire plasma/serum proteome, but to enrich potentially interesting tissue leakage proteins. These three methods were evaluated on their reproducibility, on the SELDI-TOF-MS peptide/protein peaks generated after fractionation and on the information supplied.The studied methods appeared to give complementary information and presented good reproducibility (below 20%). Peptide ligand affinity beads were found to provide efficient depletion of HMW proteins and peak enrichment in protein/peptide profiles.