#Bayesianoptimization

New @UncertaintyinAI-2025 paper! Exact acquisition function maximizer can be hardly obtained in #BayesianOptimization, and our paper systematically studies it in theory. We find a condition where BO can still be no-regret even without exact maximization.

Just accepted for publication in @JPhysChem :) !!! Select and tune #DFT models with #BayesianOptimization ! @UBCChem @chemuoft

🚀 Highly viewed in MAKE: Bayesian Optimization Using Simulation-Based Multiple Information Sources over Combinatorial Structures 📄 Read here: @ComSciMath_Mdpi #BayesianOptimization #CombinatorialOptimization

Excited to see our few shot #BayesianOptimization for #DrugDiscovery algorithm ProfBO is being featured in our co-author Prof. @KChoNYC's KeyNote Talk at @NeurIPSConf-2025! ArXiv:

I just created a curated GitHub repository of awesome Bayesian optimization resources. Check it out and feel free to contribute: #BayesianOptimization #MachineLearning

Curious about using #BayesianOptimization to calibrate Multi-agent Systems? Check out our paper “Parallel Bayesian Optimization of Agent-based Transportation Simulation” arXiv: Code: Wiki:

Curious about how to optimize complex, noisy, and expensive-to-evaluate systems in your #SignalProcessing projects?🤔 Discover the power of #BayesianOptimization in my latest blog post on @IEEEsps!

We combine ML + #DigitalTwins to autonomously design photoreactors with high light capture and uniform irradiation. A virtual photoreactor guides #BayesianOptimization, allowing numerous designs in silico and fabrication of the best candidates. @ChemRxiv:

A lot of beautiful #firsts today: the first #BayesianOptimization technique applied to large sequences, the first #CausalBayesian optimization technique on large #sequences, and finally --first application to switching binding properties of #TCell #repertoire sequences 1/n

I'm thrilled to share our work @sigopt "Beyond the Pareto Efficient Frontier: Constraint Active Search for Multiobjective Experimental Design" tomorrow in #ICML2021! Details: Blog: Paper: 👇🧵1/5

We developed an active learning formulation to further accelerate intelligent experimentation: constraint active search (CAS). Idea: explore parameter configurations that satisfy user-defined objective constraints. CAS is like Bayesian Optimization + Experimental Design 🧵3/5

Why "beyond the Pareto Frontier''? In single-objective #BayesianOptimization, we talk about searching for x = argmax f(x), where x is the parameters/design configurations. Multi-obj BO does not focus on the parameters/designs, but CAS does! Paper: 🧵4/5

BIOVIA Pipeline Pilot uniquely empowers non-coding scientists to leverage advanced ML techniques. Learn how Gregory Price, Ph.D. used #PipelinePilot to extract and process data from BIOVIA Notebook #ELN and ran the #BayesianOptimization code:

Excited to visit @USC CS Department on Feb 10th, and give a talk on recent advances from my @UAlbany lab on accelerated #BayesianOptimization for #DrugDiscovery! I'd like to deeply thank Prof. @YanLiu_USC for hosting my visit and all participants for the fruitful discussions!

⚙️ A failed experiment doesn’t mean starting over. #BayesianOptimization helps you identify the most informative experiments to run next so you can innovate faster and reduce trial and error. Also learn how to: - Accelerate development. - Reduce energy and material use. - Apply techniques immediately in your workflow. Join  @JMP on Nov. 18 at 2 p.m. ET. Reserve your spot today 👉

#BayesianOptimization vs Manual Grid Search – here's how they compare:

Just out in Advanced Materials @AdvSciNews: one of the word's most precise microchip sensors! Design inspired on a Spiderweb and guided by machine learning #BayesianOptimization @tudelft @tudelft3mE @MSETUDELFT Press release here:

Paper Sharing 😉 Mapping pareto fronts for efficient multi-objective materials discovery From Prof. Kedar Hippalgaonkar's group from Nanyang Technological University #BayesianOptimization, #EvolutionaryAlgorithm, #MaterialsScience

4.4 seconds is my middle name #BayesianOptimization

Congratulations to Bojana Ranković @6ojaHa on her first preprint in the @SchwallerGroup! ✨ Rumour has it, they call her BOjana... might that be because of #BayesianOptimization? Read the preprint here 👉🏻

What do you do when you can't do one-hot encodings in Bayesian optimisation for chemical reactions? *My first preprint* 🫣 tells it! Presented at the Ellis #ML4Mol workshop, now on @ChemRxiv: Work with @Ryan__Rhys, @Henrymossmoss and @pschwllr

🧠 An alternative for the optimization of functions as well as hyperparameters of Machine Learning pipelines. #MachineLearning #BayesianOptimization #DataScience

Learn how @Facebook is tuning its parameters through Bayesian Optimization for their A/B models. | #BayesianOptimization #Models #Facebook #testing