56,626 research outputs found
Comparative performance of some popular ANN algorithms on benchmark and function approximation problems
We report an inter-comparison of some popular algorithms within the
artificial neural network domain (viz., Local search algorithms, global search
algorithms, higher order algorithms and the hybrid algorithms) by applying them
to the standard benchmarking problems like the IRIS data, XOR/N-Bit parity and
Two Spiral. Apart from giving a brief description of these algorithms, the
results obtained for the above benchmark problems are presented in the paper.
The results suggest that while Levenberg-Marquardt algorithm yields the lowest
RMS error for the N-bit Parity and the Two Spiral problems, Higher Order
Neurons algorithm gives the best results for the IRIS data problem. The best
results for the XOR problem are obtained with the Neuro Fuzzy algorithm. The
above algorithms were also applied for solving several regression problems such
as cos(x) and a few special functions like the Gamma function, the
complimentary Error function and the upper tail cumulative
-distribution function. The results of these regression problems
indicate that, among all the ANN algorithms used in the present study,
Levenberg-Marquardt algorithm yields the best results. Keeping in view the
highly non-linear behaviour and the wide dynamic range of these functions, it
is suggested that these functions can be also considered as standard benchmark
problems for function approximation using artificial neural networks.Comment: 18 pages 5 figures. Accepted in Pramana- Journal of Physic
Neural networks and support vector machines based bio-activity classification
Classification of various compounds into their respective biological activity classes is important in drug discovery applications from an early phase virtual compound filtering and screening point of view. In this work two types of neural networks, multi layer perceptron (MLP) and radial basis functions (RBF), and support vector machines (SVM) were employed for the classification of three types of biologically active enzyme inhibitors. Both of the networks were trained with back propagation learning method with chemical compounds whose active inhibition properties were previously known. A group of topological indices, selected with the help of principle component analysis (PCA) were used as descriptors. The results of all the three classification methods show that the performance of both the neural networks is better than the SVM
How `sticky' are short-range square-well fluids?
The aim of this work is to investigate to what extent the structural
properties of a short-range square-well (SW) fluid of range at a
given packing fraction and reduced temperature can be represented by those of a
sticky-hard-sphere (SHS) fluid at the same packing fraction and an effective
stickiness parameter . Such an equivalence cannot hold for the radial
distribution function since this function has a delta singularity at contact in
the SHS case, while it has a jump discontinuity at in the SW case.
Therefore, the equivalence is explored with the cavity function .
Optimization of the agreement between y_{\sw} and y_{\shs} to first order
in density suggests the choice for . We have performed Monte Carlo (MC)
simulations of the SW fluid for , 1.02, and 1.01 at several
densities and temperatures such that , 0.2, and 0.5. The
resulting cavity functions have been compared with MC data of SHS fluids
obtained by Miller and Frenkel [J. Phys: Cond. Matter 16, S4901 (2004)].
Although, at given values of and , some local discrepancies
between y_{\sw} and y_{\shs} exist (especially for ), the SW
data converge smoothly toward the SHS values as decreases. The
approximate mapping y_{\sw}\to y_{\shs} is exploited to estimate the internal
energy and structure factor of the SW fluid from those of the SHS fluid. Taking
for y_{\shs} the solution of the Percus--Yevick equation as well as the
rational-function approximation, the radial distribution function of the
SW fluid is theoretically estimated and a good agreement with our MC
simulations is found. Finally, a similar study is carried out for short-range
SW fluid mixtures.Comment: 14 pages, including 3 tables and 14 figures; v2: typo in Eq. (5.1)
corrected, Fig. 14 redone, to be published in JC
Global Wilson-Fisher fixed points
The Wilson-Fisher fixed point with universality in three dimensions is
studied using the renormalisation group. It is shown how a combination of
analytical and numerical techniques determine global fixed point solutions to
leading order in the derivative expansion for real or purely imaginary fields
with moderate numerical effort. Universal and non-universal quantitites such as
scaling exponents and mass ratios are computed, for all , together with
local fixed point coordinates, radii of convergence, and parameters which
control the asymptotic behaviour of the effective action. We also explain when
and why finite- results do not converge pointwise towards the exact
infinite- limit. In the regime of purely imaginary fields, a new link
between singularities of fixed point effective actions and singularities of
their counterparts by Polchinski are established. Implications for other
theories are indicated.Comment: 28 pages, 10 figures, v2: explanations and refs added, to appear
(NPB
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