arXiv subjects

Pekka Marttinen

Publications and source records attributed to Pekka Marttinen.

69 records · Page 4Linked to original sources

arXiv2021

Informative Bayesian Neural Network Priors for Weak Signals

Encoding domain knowledge into the prior over the high-dimensional weight space of a neural network is challenging but essential in applications with limited data and weak signals. Two types of domain knowledge are commonly available in scientific applications: 1. feature sparsity (fraction of features deemed relevant); 2. signal-to-noise ratio, quantified, for instance, as the proportion of variance explained (PVE). We show how to encode both types of domain knowledge into the widely used Gaussian scale mixture priors with Automatic Relevance Determination. Specifically, we propose a new joint prior over the local (i.e., feature-specific) scale parameters that encodes knowledge about feature sparsity, and a Stein gradient optimization to tune the hyperparameters in such a way that the distribution induced on the model's PVE matches the prior distribution. We show empirically that the new prior improves prediction accuracy, compared to existing neural network priors, on several publicly available datasets and in a genetics application where signals are weak and sparse, often outperforming even computationally intensive cross-validation for hyperparameter tuning.

stat.ML↗

arXiv2020

Dilated Convolutional Attention Network for Medical Code Assignment from Clinical Text

Medical code assignment, which predicts medical codes from clinical texts, is a fundamental task of intelligent medical information systems. The emergence of deep models in natural language processing has boosted the development of automatic assignment methods. However, recent advanced neural architectures with flat convolutions or multi-channel feature concatenation ignore the sequential causal constraint within a text sequence and may not learn meaningful clinical text representations, especially for lengthy clinical notes with long-term sequential dependency. This paper proposes a Dilated Convolutional Attention Network (DCAN), integrating dilated convolutions, residual connections, and label attention, for medical code assignment. It adopts dilated convolutions to capture complex medical patterns with a receptive field which increases exponentially with dilation size. Experiments on a real-world clinical dataset empirically show that our model improves the state of the art.

cs.CL↗

arXiv2020

Batch simulations and uncertainty quantification in Gaussian process surrogate approximate Bayesian computation

The computational efficiency of approximate Bayesian computation (ABC) has been improved by using surrogate models such as Gaussian processes (GP). In one such promising framework the discrepancy between the simulated and observed data is modelled with a GP which is further used to form a model-based estimator for the intractable posterior. In this article we improve this approach in several ways. We develop batch-sequential Bayesian experimental design strategies to parallellise the expensive simulations. In earlier work only sequential strategies have been used. Current surrogate-based ABC methods also do not fully account the uncertainty due to the limited budget of simulations as they output only a point estimate of the ABC posterior. We propose a numerical method to fully quantify the uncertainty in, for example, ABC posterior moments. We also provide some new analysis on the GP modelling assumptions in the resulting improved framework called Bayesian ABC and discuss its connection to Bayesian quadrature (BQ) and Bayesian optimisation (BO). Experiments with toy and real-world simulation models demonstrate advantages of the proposed techniques.

stat.ML↗

arXiv2020

Parallel Gaussian process surrogate Bayesian inference with noisy likelihood evaluations

We consider Bayesian inference when only a limited number of noisy log-likelihood evaluations can be obtained. This occurs for example when complex simulator-based statistical models are fitted to data, and synthetic likelihood (SL) method is used to form the noisy log-likelihood estimates using computationally costly forward simulations. We frame the inference task as a sequential Bayesian experimental design problem, where the log-likelihood function is modelled with a hierarchical Gaussian process (GP) surrogate model, which is used to efficiently select additional log-likelihood evaluation locations. Motivated by recent progress in the related problem of batch Bayesian optimisation, we develop various batch-sequential design strategies which allow to run some of the potentially costly simulations in parallel. We analyse the properties of the resulting method theoretically and empirically. Experiments with several toy problems and simulation models suggest that our method is robust, highly parallelisable, and sample-efficient.

stat.ML↗

arXiv2019

Learning Global Pairwise Interactions with Bayesian Neural Networks

Estimating global pairwise interaction effects, i.e., the difference between the joint effect and the sum of marginal effects of two input features, with uncertainty properly quantified, is centrally important in science applications. We propose a non-parametric probabilistic method for detecting interaction effects of unknown form. First, the relationship between the features and the output is modelled using a Bayesian neural network, capable of representing complex interactions and principled uncertainty. Second, interaction effects and their uncertainty are estimated from the trained model. For the second step, we propose an intuitive global interaction measure: Bayesian Group Expected Hessian (GEH), which aggregates information of local interactions as captured by the Hessian. GEH provides a natural trade-off between type I and type II error and, moreover, comes with theoretical guarantees ensuring that the estimated interaction effects and their uncertainty can be improved by training a more accurate BNN. The method empirically outperforms available non-probabilistic alternatives on simulated and real-world data. Finally, we demonstrate its ability to detect interpretable interactions between higher-level features (at deeper layers of the neural network).

cs.LG↗

arXiv2019

Errors-in-variables Modeling of Personalized Treatment-Response Trajectories

Estimating the effect of a treatment on a given outcome, conditioned on a vector of covariates, is central in many applications. However, learning the impact of a treatment on a continuous temporal response, when the covariates suffer extensively from measurement error and even the timing of the treatments is uncertain, has not been addressed. We introduce a novel data-driven method that can estimate treatment-response trajectories in this challenging scenario. We model personalized treatment-response curves as a combination of parametric response functions, hierarchically sharing information across individuals, and a sparse Gaussian process for the baseline trend. Importantly, our model considers measurement error not only in treatment covariates, but also in treatment times, a problem which arises in practice for example when treatment information is based on self-reporting. In a challenging and timely problem of estimating the impact of diet on continuous blood glucose measurements, our model leads to significant improvements in estimation accuracy and prediction.

cs.LG↗

arXiv2018

A Bayesian model of acquisition and clearance of bacterial colonization

Bacterial populations that colonize a host play important roles in host health, including serving as a reservoir that transmits to other hosts and from which invasive strains emerge, thus emphasizing the importance of understanding rates of acquisition and clearance of colonizing populations. Studies of colonization dynamics have been based on assessment of whether serial samples represent a single population or distinct colonization events. A common solution to estimate acquisition and clearance rates is to use a fixed genetic distance threshold. However, this approach is often inadequate to account for the diversity of the underlying within-host evolving population, the time intervals between consecutive measurements, and the uncertainty in the estimated acquisition and clearance rates. Here, we summarize recently submitted work \cite{jarvenpaa2018named} and present a Bayesian model that provides probabilities of whether two strains should be considered the same, allowing to determine bacterial clearance and acquisition from genomes sampled over time. We explicitly model the within-host variation using population genetic simulation, and the inference is done by combining information from multiple data sources by using a combination of Approximate Bayesian Computation (ABC) and Markov Chain Monte Carlo (MCMC). We use the method to analyse a collection of methicillin resistant Staphylococcus aureus (MRSA) isolates.

q-bio.PE↗

arXiv2018

Efficient acquisition rules for model-based approximate Bayesian computation

Approximate Bayesian computation (ABC) is a method for Bayesian inference when the likelihood is unavailable but simulating from the model is possible. However, many ABC algorithms require a large number of simulations, which can be costly. To reduce the computational cost, Bayesian optimisation (BO) and surrogate models such as Gaussian processes have been proposed. Bayesian optimisation enables one to intelligently decide where to evaluate the model next but common BO strategies are not designed for the goal of estimating the posterior distribution. Our paper addresses this gap in the literature. We propose to compute the uncertainty in the ABC posterior density, which is due to a lack of simulations to estimate this quantity accurately, and define a loss function that measures this uncertainty. We then propose to select the next evaluation location to minimise the expected loss. Experiments show that the proposed method often produces the most accurate approximations as compared to common BO strategies.

stat.ML↗

arXiv2018

ELFI: Engine for Likelihood-Free Inference

Engine for Likelihood-Free Inference (ELFI) is a Python software library for performing likelihood-free inference (LFI). ELFI provides a convenient syntax for arranging components in LFI, such as priors, simulators, summaries or distances, to a network called ELFI graph. The components can be implemented in a wide variety of languages. The stand-alone ELFI graph can be used with any of the available inference methods without modifications. A central method implemented in ELFI is Bayesian Optimization for Likelihood-Free Inference (BOLFI), which has recently been shown to accelerate likelihood-free inference up to several orders of magnitude by surrogate-modelling the distance. ELFI also has an inbuilt support for output data storing for reuse and analysis, and supports parallelization of computation from multiple cores up to a cluster environment. ELFI is designed to be extensible and provides interfaces for widening its functionality. This makes the adding of new inference methods to ELFI straightforward and automatically compatible with the inbuilt features.

stat.ML↗

arXiv2018

Gaussian process modeling in approximate Bayesian computation to estimate horizontal gene transfer in bacteria

Approximate Bayesian computation (ABC) can be used for model fitting when the likelihood function is intractable but simulating from the model is feasible. However, even a single evaluation of a complex model may take several hours, limiting the number of model evaluations available. Modelling the discrepancy between the simulated and observed data using a Gaussian process (GP) can be used to reduce the number of model evaluations required by ABC, but the sensitivity of this approach to a specific GP formulation has not yet been thoroughly investigated. We begin with a comprehensive empirical evaluation of using GPs in ABC, including various transformations of the discrepancies and two novel GP formulations. Our results indicate the choice of GP may significantly affect the accuracy of the estimated posterior distribution. Selection of an appropriate GP model is thus important. We formulate expected utility to measure the accuracy of classifying discrepancies below or above the ABC threshold, and show that it can be used to automate the GP model selection step. Finally, based on the understanding gained with toy examples, we fit a population genetic model for bacteria, providing insight into horizontal gene transfer events within the population and from external origins.

stat.ML↗

arXiv2017

Improving drug sensitivity predictions in precision medicine through active expert knowledge elicitation

Predicting the efficacy of a drug for a given individual, using high-dimensional genomic measurements, is at the core of precision medicine. However, identifying features on which to base the predictions remains a challenge, especially when the sample size is small. Incorporating expert knowledge offers a promising alternative to improve a prediction model, but collecting such knowledge is laborious to the expert if the number of candidate features is very large. We introduce a probabilistic model that can incorporate expert feedback about the impact of genomic measurements on the sensitivity of a cancer cell for a given drug. We also present two methods to intelligently collect this feedback from the expert, using experimental design and multi-armed bandit models. In a multiple myeloma blood cancer data set (n=51), expert knowledge decreased the prediction error by 8%. Furthermore, the intelligent approaches can be used to reduce the workload of feedback collection to less than 30% on average compared to a naive approach.

cs.AI↗

arXiv2017

Interactive Elicitation of Knowledge on Feature Relevance Improves Predictions in Small Data Sets

Providing accurate predictions is challenging for machine learning algorithms when the number of features is larger than the number of samples in the data. Prior knowledge can improve machine learning models by indicating relevant variables and parameter values. Yet, this prior knowledge is often tacit and only available from domain experts. We present a novel approach that uses interactive visualization to elicit the tacit prior knowledge and uses it to improve the accuracy of prediction models. The main component of our approach is a user model that models the domain expert's knowledge of the relevance of different features for a prediction task. In particular, based on the expert's earlier input, the user model guides the selection of the features on which to elicit user's knowledge next. The results of a controlled user study show that the user model significantly improves prior knowledge elicitation and prediction accuracy, when predicting the relative citation counts of scientific documents in a specific domain.

cs.AI↗

arXiv2016

Multiple Output Regression with Latent Noise

In high-dimensional data, structured noise caused by observed and unobserved factors affecting multiple target variables simultaneously, imposes a serious challenge for modeling, by masking the often weak signal. Therefore, (1) explaining away the structured noise in multiple-output regression is of paramount importance. Additionally, (2) assumptions about the correlation structure of the regression weights are needed. We note that both can be formulated in a natural way in a latent variable model, in which both the interesting signal and the noise are mediated through the same latent factors. Under this assumption, the signal model then borrows strength from the noise model by encouraging similar effects on correlated targets. We introduce a hyperparameter for the \emph{latent signal-to-noise ratio} which turns out to be important for modelling weak signals, and an ordered infinite-dimensional shrinkage prior that resolves the rotational unidentifiability in reduced-rank regression models. Simulations and prediction experiments with metabolite, gene expression, FMRI measurement, and macroeconomic time series data show that our model equals or exceeds the state-of-the-art performance and, in particular, outperforms the standard approach of assuming independent noise and signal models.

stat.ML↗

arXiv2013

Bayesian Information Sharing Between Noise And Regression Models Improves Prediction of Weak Effects

We consider the prediction of weak effects in a multiple-output regression setup, when covariates are expected to explain a small amount, less than $\approx 1%$, of the variance of the target variables. To facilitate the prediction of the weak effects, we constrain our model structure by introducing a novel Bayesian approach of sharing information between the regression model and the noise model. Further reduction of the effective number of parameters is achieved by introducing an infinite shrinkage prior and group sparsity in the context of the Bayesian reduced rank regression, and using the Bayesian infinite factor model as a flexible low-rank noise model. In our experiments the model incorporating the novelties outperformed alternatives in genomic prediction of rich phenotype data. In particular, the information sharing between the noise and regression models led to significant improvement in prediction accuracy.

stat.ML↗

arXiv2013

Genome-wide association studies with high-dimensional phenotypes

High-dimensional phenotypes hold promise for richer findings in association studies, but testing of several phenotype traits aggravates the grand challenge of association studies, that of multiple testing. Several methods have recently been proposed for testing jointly all traits in a high-dimensional vector of phenotypes, with prospect of increased power to detect small effects that would be missed if tested individually. However, the methods have rarely been compared to the extent of enabling assessment of their relative merits and setting up guidelines on which method to use, and how to use it. We compare the methods on simulated data and with a real metabolomics data set comprising 137 highly correlated variables and approximately 550,000 SNPs. Applying the methods to genome-wide data with hundreds of thousands of markers inevitably requires division of the problem into manageable parts facilitating parallel processing, parts corresponding to individual genetic variants, pathways, or genes, for example. Here we utilize a straightforward formulation according to which the genome is divided into blocks of nearby correlated genetic markers, tested jointly for association with the phenotypes. This formulation is computationally feasible, reduces the number of tests, and lets the methods take advantage of combining information over several correlated variables not only on the phenotype side, but also on the genotype side. Our experiments show that canonical correlation analysis has higher power than alternative methods, while remaining computationally tractable for routine use in the GWAS setting, provided the number of samples is sufficient compared to the numbers of phenotype and genotype variables tested. Sparse canonical correlation analysis and regression models with latent confounding factors show promising performance when the number of samples is small.

stat.ME↗