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{"documenter":{"julia_version":"1.6.7","generation_timestamp":"2024-08-31T03:42:48","documenter_version":"1.6.0"}}
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<!DOCTYPE html>
<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>AD · ACE.jl Documentation</title><script data-outdated-warner src="../assets/warner.js"></script><link href="https://cdnjs.cloudflare.com/ajax/libs/lato-font/3.0.0/css/lato-font.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/juliamono/0.045/juliamono.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.4/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.4/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.4/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.13.24/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL=".."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../assets/documenter.js"></script><script src="../siteinfo.js"></script><script src="../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../assets/themeswap.js"></script></head><body><div id="documenter"><nav class="docs-sidebar"><div class="docs-package-name"><span class="docs-autofit"><a href="../">ACE.jl Documentation</a></span></div><form class="docs-search" action="../search/"><input class="docs-search-query" id="documenter-search-query" name="q" type="text" placeholder="Search docs"/></form><ul class="docs-menu"><li><a class="tocitem" href="../">Home</a></li><li><a class="tocitem" href="../gettingstarted/">Getting Started</a></li><li><a class="tocitem" href="../math/">Math</a></li><li><a class="tocitem" href="../devel/">Developer Docs</a></li><li class="is-active"><a class="tocitem" href>AD</a></li><li><a class="tocitem" href="../docs/">Types &amp; Functions</a></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><nav class="breadcrumb"><ul class="is-hidden-mobile"><li class="is-active"><a href>AD</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>AD</a></li></ul></nav><div class="docs-right"><a class="docs-edit-link" href="https://github.com/ACEsuit/ACE.jl/blob/main/docs/src/ad.md" title="Edit on GitHub"><span class="docs-icon fab"></span><span class="docs-label is-hidden-touch">Edit on GitHub</span></a><a class="docs-settings-button fas fa-cog" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-sidebar-button fa fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a></div></header><article class="content" id="documenter-page"><h1 id="Preliminary-AD-Capabilities"><a class="docs-heading-anchor" href="#Preliminary-AD-Capabilities">Preliminary AD Capabilities</a><a id="Preliminary-AD-Capabilities-1"></a><a class="docs-heading-anchor-permalink" href="#Preliminary-AD-Capabilities" title="Permalink"></a></h1><p>Our aim is to make ACE.jl fully differentiable. Some first steps in this direction are now complete providing some initial AD capabilities. This page provides a preliminary documentation and records some limitations and pitfalls. </p><p>Example: </p><pre><code class="language-julia hljs"># initialize the linear ACE with two invariant properties
<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>AD · ACE.jl Documentation</title><meta name="title" content="AD · ACE.jl Documentation"/><meta property="og:title" content="AD · ACE.jl Documentation"/><meta property="twitter:title" content="AD · ACE.jl Documentation"/><meta name="description" content="Documentation for ACE.jl Documentation."/><meta property="og:description" content="Documentation for ACE.jl Documentation."/><meta property="twitter:description" content="Documentation for ACE.jl Documentation."/><script data-outdated-warner src="../assets/warner.js"></script><link href="https://cdnjs.cloudflare.com/ajax/libs/lato-font/3.0.0/css/lato-font.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/juliamono/0.050/juliamono.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.16.8/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL=".."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../assets/documenter.js"></script><script src="../search_index.js"></script><script src="../siteinfo.js"></script><script src="../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/catppuccin-mocha.css" data-theme-name="catppuccin-mocha"/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/catppuccin-macchiato.css" data-theme-name="catppuccin-macchiato"/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/catppuccin-frappe.css" data-theme-name="catppuccin-frappe"/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/catppuccin-latte.css" data-theme-name="catppuccin-latte"/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../assets/themeswap.js"></script></head><body><div id="documenter"><nav class="docs-sidebar"><div class="docs-package-name"><span class="docs-autofit"><a href="../">ACE.jl Documentation</a></span></div><button class="docs-search-query input is-rounded is-small is-clickable my-2 mx-auto py-1 px-2" id="documenter-search-query">Search docs (Ctrl + /)</button><ul class="docs-menu"><li><a class="tocitem" href="../">Home</a></li><li><a class="tocitem" href="../gettingstarted/">Getting Started</a></li><li><a class="tocitem" href="../math/">Math</a></li><li><a class="tocitem" href="../devel/">Developer Docs</a></li><li class="is-active"><a class="tocitem" href>AD</a></li><li><a class="tocitem" href="../docs/">Types &amp; Functions</a></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><a class="docs-sidebar-button docs-navbar-link fa-solid fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a><nav class="breadcrumb"><ul class="is-hidden-mobile"><li class="is-active"><a href>AD</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>AD</a></li></ul></nav><div class="docs-right"><a class="docs-navbar-link" href="https://github.com/ACEsuit/ACE.jl" title="View the repository on GitHub"><span class="docs-icon fa-brands"></span><span class="docs-label is-hidden-touch">GitHub</span></a><a class="docs-navbar-link" href="https://github.com/ACEsuit/ACE.jl/blob/main/docs/src/ad.md" title="Edit source on GitHub"><span class="docs-icon fa-solid"></span></a><a class="docs-settings-button docs-navbar-link fa-solid fa-gear" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-article-toggle-button fa-solid fa-chevron-up" id="documenter-article-toggle-button" href="javascript:;" title="Collapse all docstrings"></a></div></header><article class="content" id="documenter-page"><h1 id="Preliminary-AD-Capabilities"><a class="docs-heading-anchor" href="#Preliminary-AD-Capabilities">Preliminary AD Capabilities</a><a id="Preliminary-AD-Capabilities-1"></a><a class="docs-heading-anchor-permalink" href="#Preliminary-AD-Capabilities" title="Permalink"></a></h1><p>Our aim is to make ACE.jl fully differentiable. Some first steps in this direction are now complete providing some initial AD capabilities. This page provides a preliminary documentation and records some limitations and pitfalls. </p><p>Example: </p><pre><code class="language-julia hljs"># initialize the linear ACE with two invariant properties
c_m = rand(SVector{2,Float64}, length(basis))
model = ACE.LinearACEModel(basis, c_m)
# wrap a nonlinearity around it
Expand All @@ -13,4 +13,4 @@
loss = model -&gt; sum( sum(abs2, g.rr - y)
for (g, y) in zip(grad_fsmodel(model, cfg), y) )
# and we can differentiate this w.r.t the parameters
Zygote.gradient(loss, model)[1]</code></pre><p>Remarks: </p><ul><li><code>val</code> : <code>evaluate(model, cfg)</code> will return an <code>SVector</code> containing two <code>Invariant</code>s. To extract an actual value from that, we use <code>val</code> which is simply defined as <code>val(x) = x.val</code>. The point though is that we also defined adjoints for <code>val</code> which propagage through the differentiation. This is why <code>FS</code> uses <code>val</code> in its definition. </li><li>Especially the AD capabilities of ACE.jl are very much a draft without much concern for performance. </li><li>composition of ACE models is not supported yet, but hopefully coming. </li><li>Nobody knows what will happen in the above example if the linear ace model produces covariant instead of invariant properties :). This is all untested and will likely break. Please file issues. </li><li>There are a few places that are still &quot;hacks&quot;, see TODOs in the main ACE.jl code. </li></ul></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../devel/">« Developer Docs</a><a class="docs-footer-nextpage" href="../docs/">Types &amp; Functions »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 0.27.24 on <span class="colophon-date" title="Friday 9 June 2023 21:31">Friday 9 June 2023</span>. Using Julia version 1.6.7.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
Zygote.gradient(loss, model)[1]</code></pre><p>Remarks: </p><ul><li><code>val</code> : <code>evaluate(model, cfg)</code> will return an <code>SVector</code> containing two <code>Invariant</code>s. To extract an actual value from that, we use <code>val</code> which is simply defined as <code>val(x) = x.val</code>. The point though is that we also defined adjoints for <code>val</code> which propagage through the differentiation. This is why <code>FS</code> uses <code>val</code> in its definition. </li><li>Especially the AD capabilities of ACE.jl are very much a draft without much concern for performance. </li><li>composition of ACE models is not supported yet, but hopefully coming. </li><li>Nobody knows what will happen in the above example if the linear ace model produces covariant instead of invariant properties :). This is all untested and will likely break. Please file issues. </li><li>There are a few places that are still &quot;hacks&quot;, see TODOs in the main ACE.jl code. </li></ul></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../devel/">« Developer Docs</a><a class="docs-footer-nextpage" href="../docs/">Types &amp; Functions »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.6.0 on <span class="colophon-date" title="Saturday 31 August 2024 03:42">Saturday 31 August 2024</span>. Using Julia version 1.6.7.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
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