Honegumi: An Interface for Accelerating the Adoption of Bayesian Optimization in the Experimental Sciences
- URL: http://arxiv.org/abs/2502.06815v1
- Date: Tue, 04 Feb 2025 23:53:59 GMT
- Title: Honegumi: An Interface for Accelerating the Adoption of Bayesian Optimization in the Experimental Sciences
- Authors: Sterling G. Baird, Andrew R. Falkowski, Taylor D. Sparks,
- Abstract summary: We introduce Honegumi, a user-friendly, interactive tool designed to simplify the process of creating advanced Bayesian optimization scripts.
Honegumi offers a dynamic selection grid that allows users to configure key parameters of their optimization tasks, generating ready-to-use, unit-tested Python scripts.
Accompanying the interface is a comprehensive suite of tutorials that provide both conceptual and practical guidance.
- Score: 0.0
- License:
- Abstract: Bayesian optimization (BO) has emerged as a powerful tool for guiding experimental design and decision- making in various scientific fields, including materials science, chemistry, and biology. However, despite its growing popularity, the complexity of existing BO libraries and the steep learning curve associated with them can deter researchers who are not well-versed in machine learning or programming. To address this barrier, we introduce Honegumi, a user-friendly, interactive tool designed to simplify the process of creating advanced Bayesian optimization scripts. Honegumi offers a dynamic selection grid that allows users to configure key parameters of their optimization tasks, generating ready-to-use, unit-tested Python scripts tailored to their specific needs. Accompanying the interface is a comprehensive suite of tutorials that provide both conceptual and practical guidance, bridging the gap between theoretical understanding and practical implementation. Built on top of the Ax platform, Honegumi leverages the power of existing state-of-the-art libraries while restructuring the user experience to make advanced BO techniques more accessible to experimental researchers. By lowering the barrier to entry and providing educational resources, Honegumi aims to accelerate the adoption of advanced Bayesian optimization methods across various domains.
Related papers
- VISION: A Modular AI Assistant for Natural Human-Instrument Interaction at Scientific User Facilities [0.19736111241221438]
generative AI presents an opportunity to bridge this knowledge gap.
We present a modular architecture for the Virtual Scientific Companion (VISION)
With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an X-ray scattering beamline.
arXiv Detail & Related papers (2024-12-24T04:37:07Z) - Inference Optimization of Foundation Models on AI Accelerators [68.24450520773688]
Powerful foundation models, including large language models (LLMs), with Transformer architectures have ushered in a new era of Generative AI.
As the number of model parameters reaches to hundreds of billions, their deployment incurs prohibitive inference costs and high latency in real-world scenarios.
This tutorial offers a comprehensive discussion on complementary inference optimization techniques using AI accelerators.
arXiv Detail & Related papers (2024-07-12T09:24:34Z) - A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences [12.248793682283964]
optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design.
We develop a unified framework to test a vast array of high-dimensional Bayesian optimization methods and a collection of standardized black-box functions.
These two components of the benchmark are each supported by flexible, scalable, and easily extendable software libraries.
arXiv Detail & Related papers (2024-06-07T08:39:40Z) - Enhanced Bayesian Optimization via Preferential Modeling of Abstract
Properties [49.351577714596544]
We propose a human-AI collaborative Bayesian framework to incorporate expert preferences about unmeasured abstract properties into surrogate modeling.
We provide an efficient strategy that can also handle any incorrect/misleading expert bias in preferential judgments.
arXiv Detail & Related papers (2024-02-27T09:23:13Z) - Bayesian optimization with known experimental and design constraints for
chemistry applications [0.0]
We extend our experiment planning algorithms Phoenics and Gryffin such that they can handle arbitrary known constraints.
We illustrate their practical utility in two simulated chemical research scenarios.
arXiv Detail & Related papers (2022-03-29T22:16:54Z) - Visual-Language Navigation Pretraining via Prompt-based Environmental
Self-exploration [83.96729205383501]
We introduce prompt-based learning to achieve fast adaptation for language embeddings.
Our model can adapt to diverse vision-language navigation tasks, including VLN and REVERIE.
arXiv Detail & Related papers (2022-03-08T11:01:24Z) - TRAIL: Near-Optimal Imitation Learning with Suboptimal Data [100.83688818427915]
We present training objectives that use offline datasets to learn a factored transition model.
Our theoretical analysis shows that the learned latent action space can boost the sample-efficiency of downstream imitation learning.
To learn the latent action space in practice, we propose TRAIL (Transition-Reparametrized Actions for Imitation Learning), an algorithm that learns an energy-based transition model.
arXiv Detail & Related papers (2021-10-27T21:05:00Z) - Learning Discrete Energy-based Models via Auxiliary-variable Local
Exploration [130.89746032163106]
We propose ALOE, a new algorithm for learning conditional and unconditional EBMs for discrete structured data.
We show that the energy function and sampler can be trained efficiently via a new variational form of power iteration.
We present an energy model guided fuzzer for software testing that achieves comparable performance to well engineered fuzzing engines like libfuzzer.
arXiv Detail & Related papers (2020-11-10T19:31:29Z) - Incorporating Expert Prior Knowledge into Experimental Design via
Posterior Sampling [58.56638141701966]
Experimenters can often acquire the knowledge about the location of the global optimum.
It is unknown how to incorporate the expert prior knowledge about the global optimum into Bayesian optimization.
An efficient Bayesian optimization approach has been proposed via posterior sampling on the posterior distribution of the global optimum.
arXiv Detail & Related papers (2020-02-26T01:57:36Z) - PHOTONAI -- A Python API for Rapid Machine Learning Model Development [2.414341608751139]
PHOTONAI is a high-level Python API designed to simplify and accelerate machine learning model development.
It functions as a unifying framework allowing the user to easily access and combine algorithms from different toolboxes into custom algorithm sequences.
arXiv Detail & Related papers (2020-02-13T10:33:05Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.