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We consider the problem of finite-horizon sequential experimental design to solve multi-objective optimization (MOO) of expensive black-box objective functions. This problem arises in many real-world applications, including materials…

Machine Learning · Computer Science 2025-05-02 Syrine Belakaria , Alaleh Ahmadianshalchi , Barbara Engelhardt , Stefano Ermon , Janardhan Rao Doppa

Polymers are attractive in applications like flexible electronics and thermal interface materials due to their mechanical compliance and processability. However, conventional polymers have low thermal conductivity (TC), limiting their heat…

Materials Science · Physics 2026-03-25 Yuhan Liu , Jiaxin Xu , Renzheng Zhang , Meng Jiang , Tengfei Luo

Bayesian optimization (BO) offers an efficient pipeline for optimizing black-box functions with the help of a Gaussian process prior and an acquisition function (AF). Recently, in the context of single-objective BO, learning-based AFs…

Machine Learning · Computer Science 2025-05-30 Yu-Heng Hung , Kai-Jie Lin , Yu-Heng Lin , Chien-Yi Wang , Cheng Sun , Ping-Chun Hsieh

We present GP-MOBO, a novel multi-objective Bayesian Optimization algorithm that advances the state-of-the-art in molecular optimization. Our approach integrates a fast minimal package for Exact Gaussian Processes (GPs) capable of…

Machine Learning · Computer Science 2025-08-21 Anabel Yong

Neuromorphic computing based on spiking neural networks has the potential to significantly improve on-line learning capabilities and energy efficiency of artificial intelligence, specially for edge computing. Recent progress in…

Applied Physics · Physics 2021-11-04 Yann Beilliard , Fabien Alibart

Many real world scientific and industrial applications require optimizing multiple competing black-box objectives. When the objectives are expensive-to-evaluate, multi-objective Bayesian optimization (BO) is a popular approach because of…

Machine Learning · Computer Science 2022-06-17 Samuel Daulton , David Eriksson , Maximilian Balandat , Eytan Bakshy

Recently, successful applications of reinforcement learning to chip placement have emerged. Pretrained models are necessary to improve efficiency and effectiveness. Currently, the weights of objective metrics (e.g., wirelength, congestion,…

Photonic chip design has seen significant advancements with the adoption of inverse design methodologies, offering flexibility and efficiency in optimizing device performance. However, the black-box nature of the optimization approaches,…

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

Design optimization of engineering systems with multiple competing objectives is a painstakingly tedious process especially when the objective functions are expensive-to-evaluate computer codes with parametric uncertainties. The…

Optimization and Control · Mathematics 2019-06-20 Piyush Pandita , Ilias Bilionis , Jitesh Panchal , B. P. Gautham , Amol Joshi , Pramod Zagade

The need for solving optimization problems is prevalent in a wide range of physical applications, including neuroscience, network design, biological systems, socio-economics, and chemical reactions. Many of these are classified as…

The optimization of the electrode manufacturing process is important for upscaling the application of Lithium Ion Batteries (LIBs) to cater for growing energy demand. In particular, LIB manufacturing is very important to be optimized…

Machine Learning · Computer Science 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco

Wearable devices are a fast-growing technology with impact on personal healthcare for both society and economy. Due to the widespread of sensors in pervasive and distributed networks, power consumption, processing speed, and system…

Emerging Technologies · Computer Science 2024-02-08 Erika Covi , Elisa Donati , Hadi Heidari , David Kappel , Xiangpeng Liang , Melika Payvand , Wei Wang

Photonic brain-inspired platforms are emerging as novel analog computing devices, enabling fast and energy-efficient operations for machine learning. These artificial neural networks generally require tailored optical elements, such as…

Emerging Technologies · Computer Science 2021-07-30 Davide Pierangeli , Giulia Marcucci , Claudio Conti

Neuromorphic computing aspires to overcome the intrinsic inefficiencies of von Neumann architectures by co-locating memory and computation in physical devices that emulate biological neurons and synapses. Memristive materials stand at the…

Mesoscale and Nanoscale Physics · Physics 2026-03-06 Salvador Cardona-Serra

We study an ultra-compact plasmonic modulator that can be applied in photonic integrated circuits. The modulator is a metal-insulator-metal waveguide with an additional ultra-thin layer of indium tin oxide (ITO). Bias is applied to the…

Optics · Physics 2013-08-15 Viktoriia E. Babicheva , Andrei V. Lavrinenko

Hyperparameters and learning algorithms for neuromorphic hardware are usually chosen by hand. In contrast, the hyperparameters and learning algorithms of networks of neurons in the brain, which they aim to emulate, have been optimized…

Neural and Evolutionary Computing · Computer Science 2019-06-11 Thomas Bohnstingl , Franz Scherr , Christian Pehle , Karlheinz Meier , Wolfgang Maass

Minimising cycle time without inducing quality defects is a major challenge in the injection moulding (IM). Design of Experiment methods (DoE) have been widely studied for optimisation of the IM, however existing methods have limitations,…

Systems and Control · Electrical Eng. & Systems 2024-12-05 Mandana Kariminejad , David Tormey , Caitríona Ryan , Christopher O'Hara , Albert Weinert , Marion McAfee

The advancement of artificial intelligence demands flexible multimodal data processing with high throughput and energy efficiency. Photonic integrated circuits (PIC) has demonstrated promising potentials in terms of low latency and low…

In decision-making problems, the outcome of an intervention often depends on the causal relationships between system components and is highly costly to evaluate. In such settings, causal Bayesian optimization (CBO) can exploit the causal…

Machine Learning · Statistics 2025-02-21 Shriya Bhatija , Paul-David Zuercher , Jakob Thumm , Thomas Bohné