Related papers: BOxCrete: A Bayesian Optimization Open-Source AI M…

We propose Batch-Expansion Training (BET), a framework for running a batch optimizer on a gradually expanding dataset. As opposed to stochastic approaches, batches do not need to be resampled i.i.d. at every iteration, thus making BET more…

The requirement to generate robust robotic platforms is a critical enabling step to allow such platforms to permeate safety-critical applications (i.e., the localization of autonomous platforms in urban environments). One of the primary…

Bayesian optimization (BO) is an effective paradigm for the optimization of expensive-to-sample systems. Standard BO learns the performance of a system $f(x)$ by using a Gaussian Process (GP) model; this treats the system as a black-box and…

Recognising reinforced concrete defects (RCDs) is a crucial element for determining the structural integrity, traffic safety and durability of bridges. However, most of the existing datasets in the RCD domain are derived from a small number…

Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design of experiment. When combined with automated laboratory…

The implementation of modern monitoring systems for power quality disturbances have the potential to generate substantial amounts of data, reaching a point where transmission and storage of high-frequency measurements become impractical.…

The reliability with Machine Learning (ML) techniques in novel materials discovery often depend on the quality of the dataset, in addition to the relevant features used in describing the material. In this regard, the current study presents…

The performance of all-solid-state battery (ASSB) cathodes strongly depends on their microstructure. Optimizing the cathode morphology can therefore enhance effective macroscopic properties such as ionic and electronic conductivity. The…

Optimizing deformation energies over a mesh, in two or three dimensions, is a common and critical problem in physical simulation and geometry processing. We present three new improvements to the state of the art: a barrier-aware line-search…

An optimal sequential experimental design approach is developed to computationally characterize soft material properties at the high strain rates associated with bubble cavitation. The approach involves optimal design and model inference.…

We present an optimization-driven approach to creating a double-tough ceramic material with a brick-and-mortar microstructure, where the mortar is itself transformation-toughened, engineered with the goal of simultaneously achieving high…

In the field of machine learning (ML) for materials optimization, active learning algorithms, such as Bayesian Optimization (BO), have been leveraged for guiding autonomous and high-throughput experimentation systems. However, very few…

The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials…

Impactful applications such as materials discovery, hardware design, neural architecture search, or portfolio optimization require optimizing high-dimensional black-box functions with mixed and combinatorial input spaces. While Bayesian…

Molecular geometry prediction of flexible molecules, or conformer search, is a long-standing challenge in computational chemistry. This task is of great importance for predicting structure-activity relationships for a wide variety of…

Machine learning was utilized to efficiently boost the development of soft magnetic materials. The design process includes building a database composed of published experimental results, applying machine learning methods on the database,…

Forecasting systems in science must be accurate, physically consistent, and certifiably reliable. Most existing models address prediction, constraint enforcement, and verification separately, limiting scalability and interpretability. We…

Atomistic models like tight-binding (TB), bond-order potentials (BOP) and classical potentials describe the interatomic interaction in terms of mathematical functions with parameters that need to be adjusted for a particular material. The…

In this paper, five different approaches for reduced-order modeling of brittle fracture in geomaterials, specifically concrete, are presented and compared. Four of the five methods rely on machine learning (ML) algorithms to approximate…

Benchmarking optimization algorithms is fundamental for the advancement of computational intelligence. However, widely adopted artificial test suites exhibit limited correspondence with the diversity and complexity of real-world engineering…