Real-time approximation of molecular interaction interfaces based on hierarchical space decomposition

The interaction interface between two molecules can be represented as a bisector surface equidistant from the two sets of spheres of varying radii representing atoms. We recursively divide a box containing both sphere-sets into uniform pairs of sub-boxes. The distance from each new box to each sphere-set is conservatively approximated by an interval, and the number of sphere-box computations is greatly reduced by pre-partitioning each sphere-set using a kd-tree. The subdivision terminates at a specified resolution, creating a box partition (BP) tree. A piecewise linear approximation of the bisector surface is then obtained by traversing the leaves of the BP tree and connecting points equidistant from the sphere-sets. In 124 experiments with up to 16,728 spheres, a bisector surface with a resolution of 1/2⁴ of the original bounding box was obtained in 28.8 ms on average.     

A surface blending approach for displacement features on freeform surfaces

Embedding a number of displacement features into a base surface is common in industrial product design and modeling, where displaced surface regions are blended with the unmodified surface region. The cubic Hermite interpolant is usually adopted for surface blending, in which tangent plane smoothness across the boundary curve is achieved. However, the polynomial degree of the tangent field curve obtained symbolically is considerably higher, and the reduction of the degree of a freeform curve is a non-trivial task. In this work, an approximation surface blending approach is proposed to achieve tangential continuity across the boundary curve. The boundary curve is first offset in the tangent field with the user-specified tolerance, after which it is refined to be compatible with the offset curve for surface blending. Since the boundary curve is offset in a three-dimensional (3D) space, the local self-intersection in the offset curve is addressed in a 2D space by approximately mapping the offset vectors in the respective tangent planes to the parameter space of the base surface. The proposed algorithm is validated using examples, and the normal vector deviation along the boundary curve is investigated.     

Group path covering and distance two labeling of graphs

For a positive integer d, an L(d,1)-labeling f of a graph G is an assignment of integers to the vertices of G such that |f(u)−f(v)|?d if uv∈E(G), and |f(u)−f(v)|?1 if u and u are at distance two. The span of an L(d,1)-labeling f of a graph is the absolute difference between the maximum and minimum integers used by f. The L(d,1)-labeling number of G, denoted by λd,1(G), is the minimum span over all L(d,1)-labelings of G. An L^′(d,1)-labeling of a graph G is an L(d,1)-labeling of G which assigns different labels to different vertices. Denote by the L^′(d,1)-labeling number of G. Georges et al. [Discrete Math. 135 (1994) 103-111] established relationship between the L(2,1)-labeling number of a graph G and the path covering number of Gc, the complement of G. In this paper we first generalize the concept of the path covering of a graph to the t-group path covering. Then we establish the relationship between the L^′(d,1)-labeling number of a graph G and the (d−1)-group path covering number of Gc. Using this result, we prove that and for bipartite graphs G can be computed in polynomial time.     

Modeling the impact of spectral sensor configurations on the FLD retrieval accuracy of sun-induced chlorophyll fluorescence

Chlorophyll fluorescence is related to photosynthesis and can serve as a remote sensing proxy for estimating photosynthetic energy conversion and carbon uptake. Recent advances in sensor technology allow remote measurements of the sun-induced chlorophyll fluorescence signal (Fs) at leaf and canopy scale. The commonly used Fraunhofer Line Depth (FLD) principle exploits spectrally narrow atmospheric oxygen absorption bands and relates Fs to the difference of the absorption feature depth of a fluorescensing and a non-fluorescensing surface. However, due to the nature of these narrow bands, Fs retrieval results depend not only on vegetation species type or environmental conditions, but also on instrument technology and processing algorithms. Thus, an evaluation of all influencing factors and their separate quantification is required to further improve Fs retrieval and to allow a reproducible interpretation of Fs signals.Here we present a modeling study that isolates and quantifies the impacts of sensor characteristics, such as spectral sampling interval (SSI), spectral resolution (SR), signal to noise ratio (SNR), and spectral shift (SS) on the accuracy of Fs measurements in the oxygen A band centered at 760 nm (O₂-A). Modeled high resolution radiance spectra associated with known Fs were spectrally resampled, taking into consideration the various sensor properties. Fs was retrieved using the three most common FLD retrieval methods, namely the original FLD method (sFLD), the modified FLD (3FLD) and the improved FLD (iFLD). The analysis investigates parameter ranges, which are representative for field and airborne instruments currently used in Fs research (e.g., ASD FieldSpec, OceanOptics HR, AirFLEX, AISA, APEX, CASI, and MERIS).Our results show that the most important parameter affecting the retrieval accuracy is SNR, SR accounts for ≤ 40% of the error, the SSI for ≤ 12%, and SS for ≤ 7% of the error. A trade-off study revealed that high SR can partly compensate for low SNR. There is a strong interrelation between all parameters and the impact of specific parameters can compensate or amplify the influence of others. Hence, the combination of all parameters must be considered by the evaluation of sensors and their potential for Fs retrieval. In general, the standard FLD method strongly overestimates Fs, while 3FLD and iFLD provide a more accurate estimation of Fs. We conclude that technical sensor specifications and the retrieval methods cause a significant variability in retrieved Fs signals. Results are intended to be one relevant component of the total uncertainty budget of Fs retrieval and have to be considered in the interpretation of retrieved Fs signals.     

Necessary optimality conditions for fuzzy variational problems

The main aims of this study are to derive the fuzzy Euler-Lagrange conditions for both fuzzy unconstrained and constrained variational problems based on the concepts of differentiability and integrability of a fuzzy mapping that may be parameterized by the left and right-hand functions of its α-level sets.     

Strong stability of the mono-tubular heat exchanger equation with output feedback

We investigate asymptotic behavior of the C₀-semigroup T(t) associated with the mono-tubular heat exchanger equation with output feedback by a perturbation method. It is shown that T(t) is bounded if a constraint is satisfied by the parameters and the spatial distribution function. Further, applying the Arendt-Batty-Lyubich-Vu theorem, a criterion is established to judge strong stability of T(t).     

Input-output properties of the Page-Hinkley detector

We consider the stochastic input-output properties of a simple non-linear dynamical system, the so-called Page-Hinkley detector, playing a key role in change detection, and also in queuing theory. We show that for L-mixing inputs with negative expectation the output process of this system is L-mixing. The result is applied to get an upper bound for the false alarm rate. The proof is then adapted to get a similar result for the case of random i.i.d. inputs. Possible extensions and open problems are given in the discussion.     

Training linear ranking SVMs in linearithmic time using red-black trees

We introduce an efficient method for training the linear ranking support vector machine. The method combines cutting plane optimization with red-black tree based approach to subgradient calculations, and has O(ms + mlog (m)) time complexity, where m is the number of training examples, and s the average number of non-zero features per example. Best previously known training algorithms achieve the same efficiency only for restricted special cases, whereas the proposed approach allows any real valued utility scores in the training data. Experiments demonstrate the superior scalability of the proposed approach, when compared to the fastest existing RankSVM implementations.     

Design of experiments for bivariate binary responses modelled by Copula functions

Optimal design for generalized linear models has primarily focused on univariate data. Often experiments are performed that have multiple dependent responses described by regression type models, and it is of interest and of value to design the experiment for all these responses. This requires a multivariate distribution underlying a pre-chosen model for the data. Here, we consider the design of experiments for bivariate binary data which are dependent. We explore Copula functions which provide a rich and flexible class of structures to derive joint distributions for bivariate binary data. We present methods for deriving optimal experimental designs for dependent bivariate binary data using Copulas, and demonstrate that, by including the dependence between responses in the design process, more efficient parameter estimates are obtained than by the usual practice of simply designing for a single variable only. Further, we investigate the robustness of designs with respect to initial parameter estimates and Copula function, and also show the performance of compound criteria within this bivariate binary setting.     

智能温度传感芯片中Δ-Σ调制器的设计

从模数转换的基本理论出发,在对一阶Δ-Σ调制器原理深入解析的基础上,得到Δ-ΣADC动态输入范围的计算方法。利用Matlab simulink建立了二阶Δ-Σ调制器系统模型,对调制器电路进行仿真和参数优化,对其性能进行了有效评估。使用轨对轨折叠式共源共栅运算放大器作为调制器的积分器,增大了调制器的动态输入范围;设计的高速比较器将NMOS负载管交叉耦合从放大器输出端引入正反馈,提高了转换速度。设计实现了一款适用于14 bit温度转换芯片的二阶△-∑调制器,信噪比SNR可达87 dB。