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Despite considerable progress in genome- and proteome-based high-throughput screening methods and in rational drug design, the increase in approved drugs in the past decade did not match the increase of drug development costs. Network…

Molecular Networks · Quantitative Biology 2013-05-14 Peter Csermely , Tamas Korcsmaros , Huba J. M. Kiss , Gabor London , Ruth Nussinov

Exploration is a crucial and distinctive aspect of reinforcement learning (RL) that remains a fundamental open problem. Several methods have been proposed to tackle this challenge. Commonly used methods inject random noise directly into the…

Machine Learning · Computer Science 2024-11-06 Sebastian Griesbach , Carlo D'Eramo

The goal of most materials discovery is to discover materials that are superior to those currently known. Fundamentally, this is close to extrapolation, which is a weak point for most machine learning models that learn the probability…

Biomolecules · Quantitative Biology 2024-05-08 Hyunseung Kim , Haeyeon Choi , Dongju Kang , Won Bo Lee , Jonggeol Na

We consider a problem of data integration. Consider determining which genes affect a disease. The genes, which we call predictor objects, can be measured in different experiments on the same individual. We address the question of finding…

Machine Learning · Statistics 2016-10-04 Xin Gao , Raymond J. Carroll

Many complex diseases are known to be affected by the interactions between genetic variants and environmental exposures beyond the main genetic and environmental effects. Study of gene-environment (G$\times$E) interactions is important for…

Methodology · Statistics 2019-10-01 Jie Ren , Fei Zhou , Xiaoxi Li , Qi Chen , Hongmei Zhang , Shuangge Ma , Yu Jiang , Cen Wu

Boosting methods are widely used in statistical learning to deal with high-dimensional data due to their variable selection feature. However, those methods lack straightforward ways to construct estimators for the precision of the…

Methodology · Statistics 2021-06-10 Boyao Zhang , Colin Griesbach , Cora Kim , Nadia Müller-Voggel , Elisabeth Bergherr

We tackle modelling and inference for variable selection in regression problems with many predictors and many responses. We focus on detecting hotspots, i.e., predictors associated with several responses. Such a task is critical in…

The popularity of Bayesian optimization methods for efficient exploration of parameter spaces has lead to a series of papers applying Gaussian processes as surrogates in the optimization of functions. However, most proposed approaches only…

Machine Learning · Statistics 2015-10-16 Javier González , Zhenwen Dai , Philipp Hennig , Neil D. Lawrence

Adhesive joints are increasingly used in industry for a wide variety of applications because of their favorable characteristics such as high strength-to-weight ratio, design flexibility, limited stress concentrations, planar force transfer,…

The inverse statistical problem of finding direct interactions in complex networks is difficult. In the natural sciences, well-controlled perturbation experiments are widely used to probe the structure of complex networks. However, our…

Disordered Systems and Neural Networks · Physics 2019-10-24 Jialong Jiang , David A. Sivak , Matt Thomson

Detection of malicious behavior is a fundamental problem in security. One of the major challenges in using detection systems in practice is in dealing with an overwhelming number of alerts that are triggered by normal behavior (the…

Cryptography and Security · Computer Science 2019-06-24 Liang Tong , Aron Laszka , Chao Yan , Ning Zhang , Yevgeniy Vorobeychik

Influence maximization in networks is a central problem in machine learning and causal inference, where an intervention on a subset of individuals triggers a diffusion process through the network. Existing approaches typically optimize…

Methodology · Statistics 2026-03-13 Renjie Cao , Zhuoxin Yan , Xinyan Su , Zhiheng Zhang

Our goal is to identify beneficial interventions from observational data. We consider interventions that are narrowly focused (impacting few covariates) and may be tailored to each individual or globally enacted over a population. For…

Machine Learning · Statistics 2017-05-03 Jonas Mueller , David N. Reshef , George Du , Tommi Jaakkola

Implicit stochastic models, where the data-generation distribution is intractable but sampling is possible, are ubiquitous in the natural sciences. The models typically have free parameters that need to be inferred from data collected in…

Machine Learning · Statistics 2020-08-17 Steven Kleinegesse , Michael U. Gutmann

Identifying variables responsible for changes to a biological system enables applications in drug target discovery and cell engineering. Given a pair of observational and interventional datasets, the goal is to isolate the subset of…

Machine Learning · Computer Science 2025-06-02 Menghua Wu , Umesh Padia , Sean H. Murphy , Regina Barzilay , Tommi Jaakkola

Detection of anomalies among a large number of processes is a fundamental task that has been studied in multiple research areas, with diverse applications spanning from spectrum access to cyber-security. Anomalous events are characterized…

Information Theory · Computer Science 2022-08-12 Benjamin Wolff , Tomer Gafni , Guy Revach , Nir Shlezinger , Kobi Cohen

Destructive interference between signal and background processes poses a fundamental challenge in searches for top-philic scalar resonances, significantly reducing experimental sensitivity to well-motivated extensions of the Higgs sector.…

High Energy Physics - Phenomenology · Physics 2026-04-29 Diego A. Baron Moreno , Christoph Englert , Yvonne Peters

Bayesian experimental design involves the optimal allocation of resources in an experiment, with the aim of optimising cost and performance. For implicit models, where the likelihood is intractable but sampling from the model is possible,…

Machine Learning · Statistics 2019-02-26 Steven Kleinegesse , Michael Gutmann

Traditional epidemic detection algorithms make decisions using only local information. We propose a novel approach that explicitly models spatial information fusion from several metapopulations. Our method also takes into account…

Computation · Statistics 2015-09-15 Michael Ludkovski , Katherine Shatskikh

Background: Heritability is a central measure in genetics quantifying how much of the variability observed in a trait is attributable to genetic differences. Existing methods for estimating heritability are most often based on random-effect…

Applications · Statistics 2022-08-26 The Tien Mai , Paul Turner , Jukka Corander