Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation data is too expensive or dangerous. To avoid that, one has to optimize …
We consider the problem of optimizing expensive black-box functions over high-dimensional combinatorial spaces which arises in many science, engineering, and ML applications. We use Bayesian Optimization (BO) and propose a novel surrogate modeling …
We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantages for uncertainty quantification and Bayesian optimisation. Extending …
The complexity of manycore System-on-chips (SoCs) is growing faster than our ability to manage them to reduce the overall energy consumption. Further, as SoC design moves toward three-dimensional (3D) architectures, the core's power density increases …
Optimizing expensive to evaluate black-box functions over an input space consisting of all permutations of d objects is an important problem with many real-world applications. For example, placement of functional blocks in hardware design to optimize …
We consider the problem of optimizing combinatorial spaces (e.g., sequences, trees, and graphs) using expensive black-box function evaluations. For example, optimizing molecules for drug design using physical lab experiments. Bayesian optimization …
We consider the problem of optimizing hybrid structures (mixture of discrete and continuous input variables) via expensive black-box function evaluations. This problem arises in many real-world applications. For example, in materials design …
Resistive random-access memory (ReRAM)-based architectures can be used to accelerate Convolutional Neural Network (CNN) training. However, existing architectures either do not support normalization at all or they support only a limited version of it. …
Mobile system-on-chips (SoCs) are growing in their complexity and heterogeneity (e.g., Arm Big-Little architecture) to meet the needs of emerging applications, including games and artificial intelligence. This makes it very challenging to optimally …
Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting for combinatorial spaces (e.g., sequences and graphs) that occurs …