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Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…
We focus on improving the accuracy of an approximate model of a multiscale dynamical system that uses a set of parameter-dependent terms to account for the effects of unresolved or neglected dynamics on resolved scales. We start by…
Triply periodic minimal surface (TPMS) metamaterials characterized by mathematically-controlled topologies exhibit better mechanical properties compared to uniform structures. The unit cell topology of such metamaterials can be further…
The compounding of plastics with recycled material remains a practical challenge, as the properties of the processed material is not as easy to control as with completely new raw materials. For a data scientist, it makes sense to plan the…
An important challenge in statistical analysis lies in controlling the estimation bias when handling the ever-increasing data size and model complexity of modern data settings. In this paper, we propose a reliable estimation and inference…
Learning robot controllers by minimizing a black-box objective cost using Bayesian optimization (BO) can be time-consuming and challenging. It is very often the case that some roll-outs result in failure behaviors, causing premature…
The design and optimization of optical components, such as Bragg gratings, are critical for applications in telecommunications, sensing, and photonic circuits. To overcome the limitations of traditional design methods that rely heavily on…
Bayesian models quantify uncertainty and facilitate optimal decision-making in downstream applications. For most models, however, practitioners are forced to use approximate inference techniques that lead to sub-optimal decisions due to…
The first step to realize automatic experimental data analysis for fusion plasma experiments is fitting noisy data of temperature and density spatial profiles, which are obtained routinely. However, it has been difficult to construct…
Comparing competing mathematical models of complex natural processes is a shared goal among many branches of science. The Bayesian probabilistic framework offers a principled way to perform model comparison and extract useful metrics for…
Active learning for regression reduces labeling costs by selecting the most informative samples. Improved Greedy Sampling is a prominent method that balances feature-space diversity and output-space uncertainty using a static,…
Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…
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…
Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…
The use of mobile robotics in radioactive source seeking has become an important part of modern radiation-safety practices, supporting timely mitigation of contamination risks and helping protect public health. However, measuring radiation…
We introduce GEDI, a Bayesian framework that combines existing self-supervised learning objectives with likelihood-based generative models. This framework leverages the benefits of both GEnerative and DIscriminative approaches, resulting in…
Gaussian Process (GP) regression is a powerful nonparametric Bayesian framework, but its performance depends critically on the choice of covariance kernel. Selecting an appropriate kernel is therefore central to model quality, yet remains…
In this study, a framework for the multi-objective materials discovery based on Bayesian approaches is developed. The capabilities of the framework are demonstrated on an example case related to the discovery of precipitation strengthened…
Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic…
A key drawback of the current generation of artificial decision-makers is that they do not adapt well to changes in unexpected situations. This paper addresses the situation in which an AI for aerial dog fighting, with tunable parameters…