Related papers: An Efficient Data Integration Scheme for Synthesiz…
New technologies and equipment allow for mass treatment of samples and research teams share acquired data on an always larger scale. In this context scientists are facing a major data exploitation problem. More precisely, using these data…
While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consideration uncertainties. Those arise from a multitude of sources…
We propose a machine learning approach for quickly solving Mixed Integer Programs (MIP) by learning to prioritize a set of decision variables, which we call pseudo-backdoors, for branching that results in faster solution times.…
Sequential Multiple-Assignment Randomized Trials (SMARTs) play an increasingly important role in psychological and behavioral health research. This experimental approach enables researchers to answer scientific questions about how to…
Session-based recommender systems typically focus on using only the triplet (user_id, timestamp, item_id) to make predictions of users' next actions. In this paper, we aim to utilize side information to help recommender systems catch…
Robotics and automation offer massive accelerations for solving intractable, multivariate scientific problems such as materials discovery, but the available search spaces can be dauntingly large. Bayesian optimization (BO) has emerged as a…
Big data and machine learning methods have become commonplace across economic milieus. One area that has not seen as much attention to these important topics yet is efficiency analysis. We show how the availability of big (wide) data can…
In inference problems, we often have domain knowledge which allows us to define summary statistics that capture most of the information content in a dataset. In this paper, we present a hybrid approach, where such physics-based summaries…
It is a very challenging task to identify the objectives on which a certain decision was based, in particular if several, potentially conflicting criteria are equally important and a continuous set of optimal compromise decisions exists.…
We propose an approach to better inform treatment decisions at an individual level by adapting recent advances in average treatment effect estimation to conditional average treatment effect estimation. Our work is based on doubly robust…
Sequential model-based optimization (SMBO) approaches are algorithms for solving problems that require computationally or otherwise expensive function evaluations. The key design principle of SMBO is a substitution of the true objective…
Automated hyperparameter optimization (HPO) can support practitioners to obtain peak performance in machine learning models. However, there is often a lack of valuable insights into the effects of different hyperparameters on the final…
A novel data-driven stochastic robust optimization (DDSRO) framework is proposed for optimization under uncertainty leveraging labeled multi-class uncertainty data. Uncertainty data in large datasets are often collected from various…
Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic -- primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms…
Many regression problems involve not one but several response variables (y's). Often the responses are suspected to share a common underlying structure, in which case it may be advantageous to share information across them; this is known as…
Handling missing values in training datasets for constructing learning models or extracting useful information is considered to be an important research task in data mining and knowledge discovery in databases. In recent years, lot of…
We aim to incorporate variable selection routines into variable-by-variable (or sequential) imputation in clustered data to achieve computational improvement in applications with large-scale health data. Specifically, we utilize variable…
Randomized controlled trials (RCTs) often exhibit limited inferential efficiency in estimating treatment effects due to small sample sizes. In recent years, the combination of external controls has gained increasing attention as a means of…
An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and…
We develop a model-based methodology for integrating gene-set information with an experimentally-derived gene list. The methodology uses a previously reported sampling model, but takes advantage of natural constraints in the…