Dynamic load balancing for the distributed mining of molecular structures

In molecular biology, it is often desirable to find common properties in large numbers of drug candidates. One family of methods stems from the data mining community, where algorithms to find frequent graphs have received increasing attention over the past years. However, the computational complexity of the underlying problem and the large amount of data to be explored essentially render sequential algorithms useless. In this paper, we present a distributed approach to the frequent subgraph mining problem to discover interesting patterns in molecular compounds. This problem is characterized by a highly irregular search tree, whereby no reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely, a dynamic partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiverinitiated load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening data set, where we were able to show close-to linear speedup in a network of workstations. The proposed approach also allows for dynamic resource aggregation in a non dedicated computational environment. These features make it suitable for large-scale, multi-domain, heterogeneous environments, such as computational grids

Structure-Aware Dynamic Scheduler for Parallel Machine Learning

Training large machine learning (ML) models with many variables or parameters can take a long time if one employs sequential procedures even with stochastic updates. A natural solution is to turn to distributed computing on a cluster; however, naive, unstructured parallelization of ML algorithms does not usually lead to a proportional speedup and can even result in divergence, because dependencies between model elements can attenuate the computational gains from parallelization and compromise correctness of inference. Recent efforts toward this issue have benefited from exploiting the static, a priori block structures residing in ML algorithms. In this paper, we take this path further by exploring the dynamic block structures and workloads therein present during ML program execution, which offers new opportunities for improving convergence, correctness, and load balancing in distributed ML. We propose and showcase a general-purpose scheduler, STRADS, for coordinating distributed updates in ML algorithms, which harnesses the aforementioned opportunities in a systematic way. We provide theoretical guarantees for our scheduler, and demonstrate its efficacy versus static block structures on Lasso and Matrix Factorization