From a585536e4023cba089f32aa07a495cdc45d4d8d1 Mon Sep 17 00:00:00 2001 From: Alex Dowling Date: Thu, 6 Aug 2026 21:07:01 -0400 Subject: [PATCH] docs: add the paper's graphical abstract to the README and docs landing page Adds docs/graphical_abstract.jpg (157 KB, 1333x570) -- the published article's official graphical abstract, redistributed under CC BY 4.0 like the bundled PDF, with attribution in both captions. - README: placed under the tagline, referenced by absolute raw.githubusercontent URL so it renders on the PyPI project page as well as on GitHub (relative paths don't resolve on PyPI). - docs/index.md: a MyST `figure` with a caption summarizing the three panels, above the Reference admonition. - Descriptive alt text on both, rather than a bare "graphical abstract", so the figure is meaningful to screen readers. sphinx-build -W clean; the image is copied into the built site (_images/). Co-Authored-By: Claude Opus 4.8 --- README.md | 4 ++++ docs/graphical_abstract.jpg | Bin 0 -> 160803 bytes docs/index.md | 13 +++++++++++++ 3 files changed, 17 insertions(+) create mode 100644 docs/graphical_abstract.jpg diff --git a/README.md b/README.md index 0456bb5..ac20d78 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,10 @@ **B**ayesian **I**nformation-**T**heoretic **S**ampling for hierarchical **GA**ussian **P**rocess **S**urrogates. +![BITS for GAPS framework overview: a hierarchical Gaussian process surrogate (GAPS) places priors on the kernel hyperparameters; Bayesian information-theoretic sampling (BITS) repeatedly selects the next input by maximizing the predictive differential entropy and collects data there; the result is an information-optimal surrogate whose predictions average over the hyperparameter posterior.](https://raw.githubusercontent.com/dowlinglab/bits_for_gaps/main/docs/graphical_abstract.jpg) + +*Graphical abstract from the paper (© 2026 The Authors, [CC BY 4.0](https://creativecommons.org/licenses/by/4.0/)).* + A framework for information-theoretic sequential experimental design with Bayesian hierarchical Gaussian-process surrogates. 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Many other adaptive sampling methods in literature use the GP' and ignore uncertainty in the hyperparameters themselves, which (we argue) matters most exactly when data are scarce. BITS for GAPS addresses this limitation. +```{figure} graphical_abstract.jpg +:alt: BITS for GAPS framework overview: a hierarchical Gaussian process surrogate (GAPS) places priors on the kernel hyperparameters; Bayesian information-theoretic sampling (BITS) repeatedly selects the next input by maximizing the predictive differential entropy and collects data there; the result is an information-optimal surrogate whose predictions average over the hyperparameter posterior. +:align: center +:width: 100% + +The BITS for GAPS framework. A hierarchical GP surrogate (**GAPS**) carries priors on its +kernel hyperparameters; **BITS** repeatedly picks the next input by maximizing the +predictive differential entropy of the hierarchical posterior, collects data there, and +updates the surrogate; predictions then average over the hyperparameter posterior. +*Graphical abstract from the paper (© 2026 The Authors, +[CC BY 4.0](https://creativecommons.org/licenses/by/4.0/)).* +``` + ```{admonition} Reference K. D. Jones and A. W. Dowling, "BITS for GAPS: Bayesian Information-Theoretic Sampling for hierarchical GAussian Process Surrogates," *Computers & Chemical