Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing

We present our perspective and goals on highperformance computing for nanoscience in accordance with the global trend toward "peta-scale computing." After reviewing our results obtained through the grid-enabled version of the fragment molecular orbital method (FMO) on the grid testbed by the Japanese Grid Project, National Research Grid Initiative (NAREGI), we show that FMO is one of the best candidates for peta-scale applications by predicting its effective performance in peta-scale computers. Finally, we introduce our new project constructing a peta-scale application in an open-architecture implementation of FMO in order to realize both goals of highperformance in peta-scale computers and extendibility to multiphysics simulations.Comment: 6 pages, 9 figures, proceedings of the 2nd IEEE/ACM international workshop on high performance computing for nano-science and technology (HPCNano06

A Preliminary Study on Susceptibility of Mice of Various Strain to Hymenolepis nana Eggs

Mice of various strain were given orally eggs of Hymenolepis nana maintained by ddY mice and sacrificed for the adult worm recovery 2 weeks after the administration of the eggs. The mice of ddY, ICR, C3H and BALB/C were highly susceptible to the eggs while those of DBA/2 and C57BL/6 were less susceptible

Multi-physics Extension of OpenFMO Framework

OpenFMO framework, an open-source software (OSS) platform for Fragment Molecular Orbital (FMO) method, is extended to multi-physics simulations (MPS). After reviewing the several FMO implementations on distributed computer environments, the subsequent development planning corresponding to MPS is presented. It is discussed which should be selected as a scientific software, lightweight and reconfigurable form or large and self-contained form.Comment: 4 pages with 11 figure files, to appear in the Proceedings of ICCMSE 200

Covariance Matrix Adaptation Evolutionary Strategy with Worst-Case Ranking Approximation for Min--Max Optimization and its Application to Berthing Control Tasks

In this study, we consider a continuous min--max optimization problem $\min_{x \in \mathbb{X} \max_{y \in \mathbb{Y}}}f(x,y)$ whose objective function is a black-box. We propose a novel approach to minimize the worst-case objective function $F(x) = \max_{y} f(x,y)$ directly using a covariance matrix adaptation evolution strategy (CMA-ES) in which the rankings of solution candidates are approximated by our proposed worst-case ranking approximation (WRA) mechanism. We develop two variants of WRA combined with CMA-ES and approximate gradient ascent as numerical solvers for the inner maximization problem. Numerical experiments show that our proposed approach outperforms several existing approaches when the objective function is a smooth strongly convex--concave function and the interaction between $x$ and $y$ is strong. We investigate the advantages of the proposed approach for problems where the objective function is not limited to smooth strongly convex--concave functions. The effectiveness of the proposed approach is demonstrated in the robust berthing control problem with uncertainty.ngly convex--concave functions. The effectiveness of the proposed approach is demonstrated in the robust berthing control problem with uncertainty

Revisiting a kNN-based Image Classification System with High-capacity Storage

In existing image classification systems that use deep neural networks, the knowledge needed for image classification is implicitly stored in model parameters. If users want to update this knowledge, then they need to fine-tune the model parameters. Moreover, users cannot verify the validity of inference results or evaluate the contribution of knowledge to the results. In this paper, we investigate a system that stores knowledge for image classification, such as image feature maps, labels, and original images, not in model parameters but in external high-capacity storage. Our system refers to the storage like a database when classifying input images. To increase knowledge, our system updates the database instead of fine-tuning model parameters, which avoids catastrophic forgetting in incremental learning scenarios. We revisit a kNN (k-Nearest Neighbor) classifier and employ it in our system. By analyzing the neighborhood samples referred by the kNN algorithm, we can interpret how knowledge learned in the past is used for inference results. Our system achieves 79.8% top-1 accuracy on the ImageNet dataset without fine-tuning model parameters after pretraining, and 90.8% accuracy on the Split CIFAR-100 dataset in the task incremental learning setting.Comment: 16 pages, 7 figures, 6 table

Studies on Alterations in Acid Phosphatase Activity, Body Weight and Ultrastructure of Adult Angiostrongylus cantonensis in Rats Treated with Flubendazole at a Subcurative Dose

Physiological effects of flubendazole on adult Angiostrongylus cantonensis were studied. Administration of flubendazole for 3 consecutive days (48-50 days post-infection) at 10 mg/kg/day did not affect the number of worms of and weight of adult female A. cantonensis recovered from rats 16 hr after termination of medication while it lowered the phosphatase activity by the intact worms. The possible modes of action of the drug were discussed together with electron-microscopic observation of the body wall of the worms recovered from the treated and non-treated rats