Anticipating contingengies in power grids using fast neural net
  screening

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Abstract

We address the problem of maintaining high voltage power transmission networks in security at all time. This requires that power flowing through all lines remain below a certain nominal thermal limit above which lines might melt, break or cause other damages. Current practices include enforcing the deterministic "N-1" reliability criterion, namely anticipating exceeding of thermal limit for any eventual single line disconnection (whatever its cause may be) by running a slow, but accurate, physical grid simulator. New conceptual frameworks are calling for a probabilistic risk based security criterion and are in need of new methods to assess the risk. To tackle this difficult assessment, we address in this paper the problem of rapidly ranking higher order contingencies including all pairs of line disconnections, to better prioritize simulations. We present a novel method based on neural networks, which ranks "N-1" and "N-2" contingencies in decreasing order of presumed severity. We demonstrate on a classical benchmark problem that the residual risk of contingencies decreases dramatically compared to considering solely all "N-1" cases, at no additional computational cost. We evaluate that our method scales up to power grids of the size of the French high voltage power grid (over 1000 power lines).

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Ranking chemical structures for drug discovery: a new machine learning approach.

Deepak Dugar, Shivani Agarwal, Shiladitya Sengupta (2010)

With chemical libraries increasingly containing millions of compounds or more, there is a fast-growing need for computational methods that can rank or prioritize compounds for screening. Machine learning methods have shown considerable promise for this task; indeed, classification methods such as support vector machines (SVMs), together with their variants, have been used in virtual screening to distinguish active compounds from inactive ones, while regression methods such as partial least-squares (PLS) and support vector regression (SVR) have been used in quantitative structure-activity relationship (QSAR) analysis for predicting biological activities of compounds. Recently, a new class of machine learning methods - namely, ranking methods, which are designed to directly optimize ranking performance - have been developed for ranking tasks such as web search that arise in information retrieval (IR) and other applications. Here we report the application of these new ranking methods in machine learning to the task of ranking chemical structures. Our experiments show that the new ranking methods give better ranking performance than both classification based methods in virtual screening and regression methods in QSAR analysis. We also make some interesting connections between ranking performance measures used in cheminformatics and those used in IR studies.