Helsinki Institute for Information Technology

About: Helsinki Institute for Information Technology is a facility organization based out in Espoo, Finland. It is known for research contribution in the topics: Population & Bayesian network. The organization has 630 authors who have published 1962 publications receiving 63426 citations.

Experiment selection for causal discovery

Abstract: Randomized controlled experiments are often described as the most reliable tool available to scientists for discovering causal relationships among quantities of interest. However, it is often unclear how many and which different experiments are needed to identify the full (possibly cyclic) causal structure among some given (possibly causally insufficient) set of variables. Recent results in the causal discovery literature have explored various identifiability criteria that depend on the assumptions one is able to make about the underlying causal process, but these criteria are not directly constructive for selecting the optimal set of experiments. Fortunately, many of the needed constructions already exist in the combinatorics literature, albeit under terminology which is unfamiliar to most of the causal discovery community. In this paper we translate the theoretical results and apply them to the concrete problem of experiment selection. For a variety of settings we give explicit constructions of the optimal set of experiments and adapt some of the general combinatorics results to answer questions relating to the problem of experiment selection.

Drug response prediction by inferring pathway-response associations with kernelized Bayesian matrix factorization

Abstract: Motivation A key goal of computational personalized medicine is to systematically utilize genomic and other molecular features of samples to predict drug responses for a previously unseen sample. Such predictions are valuable for developing hypotheses for selecting therapies tailored for individual patients. This is especially valuable in oncology, where molecular and genetic heterogeneity of the cells has a major impact on the response. However, the prediction task is extremely challenging, raising the need for methods that can effectively model and predict drug responses. Results In this study, we propose a novel formulation of multi-task matrix factorization that allows selective data integration for predicting drug responses. To solve the modeling task, we extend the state-of-the-art kernelized Bayesian matrix factorization (KBMF) method with component-wise multiple kernel learning. In addition, our approach exploits the known pathway information in a novel and biologically meaningful fashion to learn the drug response associations. Our method quantitatively outperforms the state of the art on predicting drug responses in two publicly available cancer datasets as well as on a synthetic dataset. In addition, we validated our model predictions with lab experiments using an in-house cancer cell line panel. We finally show the practical applicability of the proposed method by utilizing prior knowledge to infer pathway-drug response associations, opening up the opportunity for elucidating drug action mechanisms. We demonstrate that pathway-response associations can be learned by the proposed model for the well-known EGFR and MEK inhibitors. Availability and implementation The source code implementing the method is available at http://research.cs.aalto.fi/pml/software/cwkbmf/ Contacts muhammad.ammad-ud-din@aalto.fi or samuel.kaski@aalto.fi Supplementary information Supplementary data are available at Bioinformatics online.

MobShare: controlled and immediate sharing of mobile images

Abstract: In this paper we describe the design and implementation of a mobile one picture sharing system MobShare that enables immediate, controlled, and organized sharing of mobile pictures, and the browsing, combining, and discussion of the shared pictures. The design combines research on otogray, personal image management, mobile one camera use, mobile picture publishing, and an interview study we conducted on mobile one camera users. The system is based on a client-server architecture and uses current mobile one and web technology. The implementation describes novel solutions in immediate sharing of mobile images to an organized web album, and in providing full control over with whom the images are shared. Also, we describe new ways of promoting discussion in sharing images and enabling the combination and comparison of personal and shared pictures. The system proves that the designed solutions can be implemented with current technology and provides novel approaches to general issues in sharing digital images.

Nudged elastic band calculations accelerated with Gaussian process regression

Abstract: Minimum energy paths for transitions such as atomic and/or spin rearrangements in thermalized systems are the transition paths of largest statistical weight. Such paths are frequently calculated using the nudged elastic band method, where an initial path is iteratively shifted to the nearest minimum energy path. The computational effort can be large, especially when ab initio or electron density functional calculations are used to evaluate the energy and atomic forces. Here, we show how the number of such evaluations can be reduced by an order of magnitude using a Gaussian process regression approach where an approximate energy surface is generated and refined in each iteration. When the goal is to evaluate the transition rate within harmonic transition state theory, the evaluation of the Hessian matrix at the initial and final state minima can be carried out beforehand and used as input in the minimum energy path calculation, thereby improving stability and reducing the number of iterations needed for convergence. A Gaussian process model also provides an uncertainty estimate for the approximate energy surface, and this can be used to focus the calculations on the lesser-known part of the path, thereby reducing the number of needed energy and force evaluations to a half in the present calculations. The methodology is illustrated using the two-dimensional Muller-Brown potential surface and performance assessed on an established benchmark involving 13 rearrangement transitions of a heptamer island on a solid surface.