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The conventional approach to Bayesian decision-theoretic experiment design involves searching over possible experiments to select a design that maximizes the expected value of a specified utility function. The expectation is over the joint…

Methodology · Statistics 2023-04-18 Tommie A. Catanach , Niladri Das

Bayesian adaptive designs have gained popularity in all phases of clinical trials with numerous new developments in the past few decades. During the COVID-19 pandemic, the need to establish evidence for the effectiveness of vaccines,…

Methodology · Statistics 2022-03-08 Shirin Golchi

We introduce a batched lazy algorithm for supervised classification using decision trees. It avoids unnecessary visits to irrelevant nodes when it is used to make predictions with either eagerly or lazily trained decision trees. A set of…

Machine Learning · Computer Science 2016-03-09 Mathieu Guillame-Bert , Artur Dubrawski

Leveraging the wealth of unlabeled data produced in recent years provides great potential for improving supervised models. When the cost of acquiring labels is high, probabilistic active learning methods can be used to greedily select the…

Machine Learning · Statistics 2021-02-09 Robert Pinsler , Jonathan Gordon , Eric Nalisnick , José Miguel Hernández-Lobato

We propose to use Bayesian optimization (BO) to improve the efficiency of the design selection process in clinical trials. BO is a method to optimize expensive black-box functions, by using a regression as a surrogate to guide the search.…

Methodology · Statistics 2021-05-20 Jakob Richter , Tim Friede , Jörg Rahnenführer

We introduce a new class of distributed algorithms for the approximate consensus problem in dynamic rooted networks, which we call amortized averaging algorithms. They are deduced from ordinary averaging algorithms by adding a…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-12-15 Bernadette Charron-Bost , Matthias Függer , Thomas Nowak

The discovery of a minimum energy pathway (MEP) between metastable states is crucial for scientific tasks including catalyst and biomolecular design. However, the standard nudged elastic band (NEB) algorithm requires hundreds to tens of…

Materials Science · Physics 2025-12-18 Pranav Kakhandiki , Sathya Chitturi , Daniel Ratner , Sean Gasiorowski

Bayesian inference usually requires running potentially costly inference procedures separately for every new observation. In contrast, the idea of amortized Bayesian inference is to initially invest computational cost in training an…

Machine Learning · Computer Science 2023-05-25 Manuel Glöckler , Michael Deistler , Jakob H. Macke

Many real-life decision-making situations allow further relevant information to be acquired at a specific cost, for example, in assessing the health status of a patient we may decide to take additional measurements such as diagnostic tests…

The design or the optimization of transport systems is a difficult task. This is especially true in the case of the introduction of new transport modes in an existing system. The main reason is, that even small additions and changes result…

Multiagent Systems · Computer Science 2023-07-28 Sebastian Brulin , Markus Olhofer

Modern Bayesian inference involves a mixture of computational techniques for estimating, validating, and drawing conclusions from probabilistic models as part of principled workflows for data analysis. Typical problems in Bayesian workflows…

Gathering labeled data to train well-performing machine learning models is one of the critical challenges in many applications. Active learning aims at reducing the labeling costs by an efficient and effective allocation of costly labeling…

Machine Learning · Computer Science 2020-06-03 Daniel Kottke , Marek Herde , Christoph Sandrock , Denis Huseljic , Georg Krempl , Bernhard Sick

Semiconductor device models are essential to understand the charge transport in thin film transistors (TFTs). Using these TFT models to draw inference involves estimating parameters used to fit to the experimental data. These experimental…

Machine Learning · Computer Science 2021-11-29 Neel Chatterjee , Somya Sharma , Sarah Swisher , Snigdhansu Chatterjee

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

Traditional accelerated life test plans are typically based on optimizing the C-optimality for minimizing the variance of an interested quantile of the lifetime distribution. The traditional methods rely on some specified planning values…

Applications · Statistics 2018-12-04 Lu Lu , I-Chen Lee , Yili Hong

Bayesian optimisation for real-world problems is often performed interactively with human experts, and integrating their domain knowledge is key to accelerate the optimisation process. We consider a setup where experts provide advice on the…

Machine Learning · Computer Science 2024-10-15 Wenjie Xu , Masaki Adachi , Colin N. Jones , Michael A. Osborne

Amortized simulator-based inference offers a powerful framework for tackling Bayesian inference in computational fields such as engineering or neuroscience, increasingly leveraging modern generative methods like diffusion models to map…

Optimally sequencing experimental assays in drug discovery is a high-stakes planning problem under severe uncertainty and resource constraints. A primary obstacle for standard reinforcement learning (RL) is the absence of an explicit…

Machine Learning · Computer Science 2026-01-22 Tianchi Chen , Jan Bima , Sean L. Wu , Otto Ritter , Bingjia Yang , Xiang Yu

Systems with both quantitative and qualitative responses are widely encountered in many applications. Design of experiment methods are needed when experiments are conducted to study such systems. Classic experimental design methods are…

Methodology · Statistics 2023-04-24 Lulu Kang , Xinwei Deng , Ran Jin

In practical applications, data is used to make decisions in two steps: estimation and optimization. First, a machine learning model estimates parameters for a structural model relating decisions to outcomes. Second, a decision is chosen to…

Optimization and Control · Mathematics 2022-10-28 Samuel Tan , Peter I. Frazier