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CSC
2010
13 years 3 months ago
Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics
- We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...
Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakan...
WSC
1997
13 years 10 months ago
Covalidation of Dissimilarly Structured Models
A methodology is presented which allows comparison between models under different modeling paradigms. Consider the following situation: Two models have been constructed to study d...
Samuel A. Wright, Kenneth W. Bauer Jr.
ML
2002
ACM
163views Machine Learning» more  ML 2002»
13 years 8 months ago
Structural Modelling with Sparse Kernels
A widely acknowledged drawback of many statistical modelling techniques, commonly used in machine learning, is that the resulting model is extremely difficult to interpret. A numb...
Steve R. Gunn, Jaz S. Kandola
ATAL
2010
Springer
13 years 9 months ago
History-dependent graphical multiagent models
A dynamic model of a multiagent system defines a probability distribution over possible system behaviors over time. Alternative representations for such models present tradeoffs i...
Quang Duong, Michael P. Wellman, Satinder P. Singh...
BMCBI
2010
132views more  BMCBI 2010»
13 years 8 months ago
New statistical potential for quality assessment of protein models and a survey of energy functions
Background: Scoring functions, such as molecular mechanic forcefields and statistical potentials are fundamentally important tools in protein structure modeling and quality assess...
Dmitry Rykunov, András Fiser