From 88fe534affe3333aa3378662e054e78c346ce42f Mon Sep 17 00:00:00 2001 From: Adrian Hayler Date: Tue, 12 May 2026 15:51:12 +0200 Subject: [PATCH 1/4] Add shapiq -> shap.Explanation bridge helper MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Introduces `shapiq_to_shap_explanation(explainer, X, *, budget, feature_names=None)` that runs a shapiq explainer over a batch of rows and wraps the first-order Shapley values in a `shap.Explanation` ready for the `shap.plots.*` family. Lives in `src/tabpfn_extensions/interpretability/shap.py` — that filename was freed up when #283 removed the legacy SHAP-based explainer, and the new role ("shap library bridge for plotting") maps naturally to it. Re-exported from `tabpfn_extensions.interpretability` so users can import it directly. `shap_example.py` collapses the previous 15-line "loop over rows / stack / average baseline / construct Explanation" boilerplate to a single helper call. `interpretability/README.md` updated: the paragraph that mentioned converting to `shap.Explanation` now names the helper explicitly and shows a one-liner, while keeping the "use shapiq's native plots" option visible as the alternative. `shap` is intentionally NOT added to the `interpretability` extra (same choice #283 made). The import lives inside the function body so the rest of the interpretability surface stays importable without shap installed. Verified end-to-end with a stub shapiq explainer in a clean venv that has shap + shapiq + tabpfn-extensions installed: values/base_values/data shapes correct, returned object is a real `shap.Explanation`. Co-Authored-By: Claude Opus 4.7 (1M context) --- examples/interpretability/shap_example.py | 38 +++++----- .../interpretability/README.md | 31 ++++++-- .../interpretability/__init__.py | 5 +- .../interpretability/shap.py | 76 +++++++++++++++++++ 4 files changed, 123 insertions(+), 27 deletions(-) create mode 100644 src/tabpfn_extensions/interpretability/shap.py diff --git a/examples/interpretability/shap_example.py b/examples/interpretability/shap_example.py index 8972917f..2b7c382d 100644 --- a/examples/interpretability/shap_example.py +++ b/examples/interpretability/shap_example.py @@ -21,19 +21,25 @@ from __future__ import annotations -import numpy as np import shap from sklearn.datasets import fetch_california_housing from sklearn.model_selection import train_test_split from tabpfn_extensions import TabPFNRegressor -from tabpfn_extensions.interpretability import shapiq as tabpfn_shapiq +from tabpfn_extensions.interpretability import ( + shapiq as tabpfn_shapiq, + shapiq_to_shap_explanation, +) housing = fetch_california_housing(as_frame=False) X, y, feature_names = housing.data, housing.target, list(housing.feature_names) X_train, X_test, y_train, _ = train_test_split( - X, y, train_size=1000, test_size=200, random_state=0, + X, + y, + train_size=1000, + test_size=200, + random_state=0, ) n_explain = 30 X_explain = X_test[:n_explain] @@ -50,24 +56,16 @@ max_order=1, ) -# Compute Shapley values for n_explain rows. Each call produces an -# `InteractionValues` object; we extract the (d,) 1st-order array per row and -# stack into the (n, d) matrix that shap.Explanation expects. +# Compute first-order Shapley values for n_explain rows and wrap them in a +# shap.Explanation. `shapiq_to_shap_explanation` runs one .explain() call per +# row, stacks the (d,) arrays, averages baseline values, and packages +# everything for the SHAP plotting API. budget=256 = 2^8 is the exact-Shapley +# budget for d=8 features. print(f"Computing Shapley values for {n_explain} rows...") -ivs = [explainer.explain(x=X_explain[i], budget=256) for i in range(n_explain)] -shap_values = np.stack([iv.get_n_order_values(1) for iv in ivs]) - -# baseline_value is the model's expected output when *every* feature is masked -# — i.e. the prediction on the empty coalition. We average across rows to get -# the scalar E[f(X)] that shap.Explanation wants for base_values. -base_value = float(np.mean([iv.baseline_value for iv in ivs])) - -# Wrap shapiq's output in a shap.Explanation so the full shap.plots.* family -# accepts it directly. -explanation = shap.Explanation( - values=shap_values, - base_values=np.full(n_explain, base_value), - data=X_explain, +explanation = shapiq_to_shap_explanation( + explainer, + X_explain, + budget=256, feature_names=feature_names, ) diff --git a/src/tabpfn_extensions/interpretability/README.md b/src/tabpfn_extensions/interpretability/README.md index efcb9fa6..559c3ba4 100644 --- a/src/tabpfn_extensions/interpretability/README.md +++ b/src/tabpfn_extensions/interpretability/README.md @@ -37,11 +37,32 @@ We expose two adapters: The wrapper warns at construction time if the model isn't configured this way. -For SHAP-style plots (waterfall, beeswarm, summary, dependence) you can use shapiq's -own visualizations on the returned ``InteractionValues`` object (``iv.plot_force()``, -``iv.plot_waterfall()``, ``iv.plot_network()``, ``iv.plot_si_graph()``, etc.), or convert -the values to ``shap.Explanation`` and use ``shap.plots.*``. See -``examples/interpretability/shapiq_example.py`` and ``shap_example.py`` for both. +For SHAP-style plots (waterfall, beeswarm, summary, dependence) you have two options: + +1. **Use shapiq's own visualizations** on the returned ``InteractionValues`` object: + ``iv.plot_force()``, ``iv.plot_waterfall()``, ``iv.plot_network()``, + ``iv.plot_si_graph()``, etc. + +2. **Use the SHAP library's plotting** via the bridge helper. Run shapiq's + ``.explain()`` over a batch of rows and wrap the result in a + ``shap.Explanation`` in one call: + + ```python + from tabpfn_extensions.interpretability import shapiq_to_shap_explanation + + explanation = shapiq_to_shap_explanation( + explainer, X_explain, budget=256, feature_names=feature_names, + ) + shap.plots.waterfall(explanation[0]) + ``` + + ``shapiq_to_shap_explanation`` extracts first-order Shapley values from + shapiq's output and wraps them in a ``shap.Explanation``. Requires + ``pip install shap`` — kept out of the ``interpretability`` extra by + design (shapiq is the runtime dependency; shap is opt-in for plotting). + +See ``examples/interpretability/shapiq_example.py`` and ``shap_example.py`` +for both paths. The ``shapiq`` library and the paper introducing the improved Shapley value computation for TabPFN can be cited as follows: diff --git a/src/tabpfn_extensions/interpretability/__init__.py b/src/tabpfn_extensions/interpretability/__init__.py index 77aa1c39..80591ab3 100644 --- a/src/tabpfn_extensions/interpretability/__init__.py +++ b/src/tabpfn_extensions/interpretability/__init__.py @@ -1,7 +1,8 @@ try: - from . import feature_selection, pdp, shapiq + from . import feature_selection, pdp, shap, shapiq + from .shap import shapiq_to_shap_explanation except ImportError: raise ImportError( "Please install tabpfn-extensions with the 'interpretability' extra: pip install 'tabpfn-extensions[interpretability]'", ) -__all__ = ["feature_selection", "shapiq", "pdp"] +__all__ = ["feature_selection", "shapiq", "pdp", "shap", "shapiq_to_shap_explanation"] diff --git a/src/tabpfn_extensions/interpretability/shap.py b/src/tabpfn_extensions/interpretability/shap.py new file mode 100644 index 00000000..f8c318a0 --- /dev/null +++ b/src/tabpfn_extensions/interpretability/shap.py @@ -0,0 +1,76 @@ +# Copyright (c) Prior Labs GmbH 2025. +# Licensed under the Apache License, Version 2.0 + +"""Bridge helpers for using the SHAP library's plotting ecosystem with +Shapley values computed by shapiq. + +We use shapiq for the actual Shapley-value computation — it's faster and +extension-friendly for TabPFN — but the SHAP library's plotting ecosystem +(``shap.plots.waterfall``, ``beeswarm``, ``summary``, ``dependence``, etc.) +is mature and widely used. This module bridges the two. + +The ``shap`` package is **not** part of the ``interpretability`` extra. Install +it separately (``pip install shap``) if you want to use these helpers. +""" + +from __future__ import annotations + +from typing import TYPE_CHECKING, Any + +import numpy as np + +if TYPE_CHECKING: + import shap + from numpy.typing import ArrayLike + + +def shapiq_to_shap_explanation( + explainer: Any, + X: ArrayLike, + *, + budget: int, + feature_names: list[str] | None = None, +) -> shap.Explanation: + """Compute first-order Shapley values with a shapiq explainer for each + row in ``X`` and wrap them in a ``shap.Explanation`` ready for use with + ``shap.plots.*`` and ``shap.summary_plot``. + + Mirrors the pattern in ``examples/interpretability/shap_example.py``: + one ``.explain(...)`` call per row, stack the first-order arrays into an + ``(n, d)`` matrix, average baseline values, and pass everything to + ``shap.Explanation``. + + Args: + explainer: A shapiq explainer — e.g. one returned by + ``get_tabpfn_imputation_explainer(..., index="SV", max_order=1)``. + X: ``(n, d)`` array of rows to explain. + budget: Number of model evaluations shapiq is allowed per row. For + small ``d`` and exact Shapley values, pass ``2**d``. + feature_names: Optional list of feature name strings (length ``d``). + Used by ``shap.plots.*`` for axis labels. + + Returns: + A ``shap.Explanation`` with ``values.shape == (n, d)``. + + Notes: + Only first-order Shapley values are wrapped. ``shap.Explanation`` + doesn't represent higher-order interactions; for those, use + shapiq's native plots on the ``InteractionValues`` object. + + Requires ``shap`` to be installed (``pip install shap``). It is + kept out of the ``interpretability`` extra by design — shapiq is + the runtime dependency, shap is opt-in for plotting. + """ + import shap + + X_arr = np.asarray(X) + n = len(X_arr) + ivs = [explainer.explain(x=X_arr[i], budget=budget) for i in range(n)] + values = np.stack([iv.get_n_order_values(1) for iv in ivs]) + base_value = float(np.mean([iv.baseline_value for iv in ivs])) + return shap.Explanation( + values=values, + base_values=np.full(n, base_value), + data=X_arr, + feature_names=feature_names, + ) From 570e0debcf13eb024bdcfe07b3de6dc1e27d5e18 Mon Sep 17 00:00:00 2001 From: Adrian Hayler Date: Tue, 12 May 2026 16:00:42 +0200 Subject: [PATCH 2/4] Pass per-row baselines through instead of averaging (Gemini, #292) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit shap.Explanation accepts a 1-d (n,) array for base_values natively. Passing per-row baselines straight through is more correct than averaging: - For the imputation path (our default, get_tabpfn_imputation_explainer) baseline_value comes from the fixed background dataset and is identical across rows, so this matches the old behavior exactly. - For the Rundel remove-and-recontextualize path baselines genuinely vary per row; averaging would silently lose that signal. Also avoids the np.mean-on-empty RuntimeWarning Gemini flagged. Skipping Gemini's other suggestion (explicit raise on n==0) — np.stack's native ValueError is fine and adding the check is one more thing to keep. Verified end-to-end locally by running the actual shap_example.py against the v3 California-housing setup (n_explain=30, budget=2^8=256). All five plots (summary, scatter, bar, beeswarm, waterfall) rendered correctly. 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+++ b/src/tabpfn_extensions/interpretability/shap.py @@ -67,10 +67,14 @@ def shapiq_to_shap_explanation( n = len(X_arr) ivs = [explainer.explain(x=X_arr[i], budget=budget) for i in range(n)] values = np.stack([iv.get_n_order_values(1) for iv in ivs]) - base_value = float(np.mean([iv.baseline_value for iv in ivs])) + # Pass per-row baselines through unchanged. For the imputation path the + # background is fixed and these are all the same value; for the Rundel + # remove-and-recontextualize path baselines genuinely vary per row. + # shap.Explanation accepts a 1-d (n,) array natively. + base_values = np.array([iv.baseline_value for iv in ivs]) return shap.Explanation( values=values, - base_values=np.full(n, base_value), + base_values=base_values, data=X_arr, feature_names=feature_names, ) From 1fab4d03128aa950f64be5e471d8f5823b1012fe Mon Sep 17 00:00:00 2001 From: Adrian Hayler Date: Tue, 12 May 2026 16:01:07 +0200 Subject: [PATCH 3/4] Re-gitignore .local/ and drop the test-plot artifacts I added by mistake The previous commit accidentally staged the test-plot artifacts I'd generated under .local/shap_example_plots/ to verify the helper end-to-end. Those shouldn't be on the PR. Removing them from the index and re-adding .local/ to .gitignore (we'd un-ignored it during the v3 cleanup work and no longer have a use for that path being tracked). Co-Authored-By: Claude Opus 4.7 (1M context) --- .gitignore | 3 +++ .local/shap_example_plots/figure_01_0.png | Bin 42560 -> 0 bytes .local/shap_example_plots/figure_02_0.png | Bin 13905 -> 0 bytes .local/shap_example_plots/figure_03_0.png | Bin 28908 -> 0 bytes .local/shap_example_plots/figure_04_0.png | Bin 42149 -> 0 bytes .local/shap_example_plots/figure_05_0.png | Bin 42095 -> 0 bytes 6 files changed, 3 insertions(+) delete mode 100644 .local/shap_example_plots/figure_01_0.png delete mode 100644 .local/shap_example_plots/figure_02_0.png delete mode 100644 .local/shap_example_plots/figure_03_0.png delete mode 100644 .local/shap_example_plots/figure_04_0.png delete mode 100644 .local/shap_example_plots/figure_05_0.png diff --git a/.gitignore b/.gitignore index 66ac7b85..cda7c7df 100644 --- a/.gitignore +++ b/.gitignore @@ -151,3 +151,6 @@ commit_messages.txt CLAUDE.md .claude/*.local.* .claude/worktrees/ + +# ad-hoc local artifacts (test plots, scratch dirs, etc.) +.local/ diff --git a/.local/shap_example_plots/figure_01_0.png b/.local/shap_example_plots/figure_01_0.png deleted file mode 100644 index 91b8de58aaff696ddce370c89e7e965f914d7501..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 42560 zcmb5W1yEegyY7oa2oi|k9w4~82Lc3l3GVK$gCszL4DL>FclY4#?(RCcoW+;#zxS?t z@40o(R3%WWdV2Nh?$!PF?|mMA%E^eKBI6=MK|!H@6&F!}f`WlSK|v27Aplpz=S_xy zAKZ>#)EpIUj2&I{?2VwL^&D+2Z5%Dl^ogB~>>bQ(tXb%p80ooaiA^0HZ5_B77_9!Q z1ig*D2?K@bggQ{mD_e1O2Pi0Xy_bK`c>=j+P*B-LUqytJT$2x%5Ix^+;US*th+fmb z`{Z%b%<;+N7fP2e(k~xa40#N!lGgQQr2aSW;YDy{-b7G&^hP&}`5rHQyng1j`I^LP zX0|8Me{z3|&l)$dv}JFWc3r>YC7WxOh(P-CvDdg;UxxnY*M1@dh{(&wI!uTU1NcNF z8OX`LT-e;ko_zaqrJn2mxQJ4wR1!Pt)6>(8*YRdw)aah$%~~MQdDRo1mzEy$hikMq zFBQHIJUz92xEK-0(`u|)070Sb{|pKW+RfSA+WJvrwUGHy_ZIb~+)}g*H&xbGY3Z)- zuin1F#r?IqsvAPU^WpUeTDgI~^P0%0sI%QHFzLsSB1VstvZ*LheM%@N-~T>Gj2uN& zpI(I;Emw7D*mjgwr+cplZW}O@z!$q>&as5vE%t5*77-QUn@-_zZzfYU@=j`mP zy}{`Ke|sd6O)_SJv(n{6TUmj{c2%(Pwsy%GPo-4*sLXRDmG6jfrc{Rr^a#QF1?%tr z&-lSM@X{5}9E?>MNe12uJU=+pl-Ap>`P~W7(hgdCComf&(=)JL*YNW3DQBf~mSxet zbZ7lnIUAn$O+ep6p0@_#j<&@_MB1j9@+e=bgc&W<6L$6RFqo?_a_%wM8_%W(d8&B} z|1&kxZ7VKnBx0z4oNe@MKxTAQ+r1`oq|05;^zr#UIkSHEDAymSzT5)iz20r8>%|bq z*{Cr3S}4bITbW+xWUuu!37x;6-)ezlVvbo?^IH)mW?OMdQc`Nx2A)GAi{M{}x?pT3 z7(8~%wx4e)R}22Vuj9~swMDtzhG>=P*yklz3DJSus|B00Wsj5gn17qiA$P+D=~!9O zfj^(fl@(J^z${QM%z?QBs_FPonFdkj%OrLyzec^k6Wco7lo@jT>+dwFhem*Kt%b+F zJSXrDB>daIgOfY|&ZB<{=>46Lz`K!?3QX0YMJN^s*T2=#%MM^pvizy-Imi3wjpFD@ z|EEmvQ29f^-@>o0?K`CY^LG8ML6eZDe>>zqZHQgj{JzEUzi)$<4_qF7|p3U}3Tzeiyax>0Nbk`(r3R`YBL; zr$|yU@|Ac@6CZ~BS@?=nIaSz2R>~lmYSsXA1l`Lw= z&0&pC2zsy!0p5{g<90uIBqSs`Xn}~r^Fo}USb;?t)d;ojpjD#4w$9G1I+q_oy}qrv zXlc$Is}sk(oX0;T|?QH|SaK?dcsRF*90S7Oa8>tLVALfo^>y)Cf;f+fKFi zs9QGZNSZPe<8d=h{C0aTShRu7)aEMvO`GiZJ(Q11*r zpu0KtfhSpRi>^UHDLqjeuQ?Q8(blpN74ZuofuOi%L=jFrF|XzN8-GXKJ=Ir5zbxH& zNX5uCV3oQX2yx0~Gc`sPXUmW@;#)r2_(@HYu+R{x+rB}gPChH8>vIexn6 z{`v#a^qcM1yelf;1&h54@5O12(+vz%BTrwf`8_+0p-2~Rxnak|2R0|)^Q06Wm-PXL z);~{=_j=3;a@FR_D0u8B{s^cQ8Zzd~44QR5Tn^i-kJl?bz`o-@IjO{IF^wY22YFYZ zl&@d=aC@;cWv@|dtqj(vGWDfQ^HeyBGF&woN{lHlik_Vvj{4?e63d_ycD^-GxO0Df zaw3P`s^5j&^l(0K1B3)e({_imOrEFhh_lreaprZ5p%ah|8e;-Wr;UU7NPxO%{i#>nVvR~-ehn_8A)XI z%;XJ=*Xv9jO`Ge)iq;kAv~_TAC<91}* z;L1Wzm#uIcNkxdBfBqE0Cb_lWT$IxAHW0)aQ{O5|fWXlBKBF4uY~ZqU_TEFJ+rix* zEvwZsU|e~^zs^cPtF2#FcD~r=^mVm-spN5ubjg8Z6}%I_xM+n)*36>zice$Vx6=+k z*G40qR!S)Ug?dr3eUs_(WI{nHZzejL>>kD;%B`pK@cMBU&#)<)IP zmC)(cw~#hef3II0C7ev9BRYpbK1bQZW2LA5oRZsl9fcb*V6H1o5Q|Ec%DZDwICNvE zy3Lg}1Fdnwl>ViD5md9Gns9cTI_QM$*mi}1z)GiBF${jUw%$50(mXn!SWf@z)dG7u7SqqR zQl4MdM6oAT=(}Af&oHVR%tS<-21KL5LD;J!d~Wkf`+iF@+edzGJ6w%E+NL}Ddfz&;&_|J1BDh>P}=!ez6vPlI-_a2@w((aZPf+GdG08f=6(q*gOz_t2JBn`?5U)$Rv- zwGltSanMM+5zoM_TmE|Yhm|0M)Cb+QWm-fix%MV4L7UKR6z;>u-+Cw6mk>?qQG6Kp zh*wL17{1WWu2?^eEL8IUB9w$*A;%5B;OTnY)CE~-}8FcsLzn> zY;|C|dIMVs7WzIp66m0~R;lc9N>wMn?K;)tSYG|UI~1?bEmtH2vv$RsN81ac zj6%Szqy=Bbj$DM}MpD}BxQD6jzDFL@6=$RadUT4}i*?eJU1{-}^8OJJP>@y}H8?=? 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z)egUFespZrrS=<2Ujv&{w^>yAt!gvVBkLzRG%bMIoYB0o+Sp})KwD>2FX>tjQpgaS z;CD~1vfNHT;s=66vtPNdU8;dOw6gOS{;sv`kGP;jj|R8Yg+KN@{O}R#VIhQ@F4?1F znX_oXQiPAwTE>DXSWB5B6Y% zBP>+9AicqY5K`-~UoJL_3@=s6N3elKDL*`)9sl!su|7K#MtWcUeHbOT)=b zFkWzV!uahUNJa8Fe^&c->`;+b?9#VVjV5VK6>pG1yx176@1o&Qo2Bn?%e05l(km1hJDF#cH>xNL)SMz#N^f{clQnvu=XWs zuFZs?nqrx<+)|x{G?A%M5(5ma0x4HY+uMnC-D*CQ73XHd@Jwsw7gc4s@OSBd=G~Oh z?nk5i3~y<8kyEBhC)4-x+#fOAG4=N#!uhWDsOSKyw^hp(!4K$(ITPwerpJ9d z!V;QcW@s*JjcaoKA8iXc$uiba|GOG$FmdNFsv1M8b;xNV6V0Oe z!r;3?zkKCHxrojziECzLO@|34I0ritF_KYhJLpt>9?r-*Pi{^4{m~lpY$vA}j zT!-*xKzJ)h3(};V3GrbZ zGwB4LR7S7+>`?pe+MdU{y%6=?3EYKfG<}i1{_5qbyx=$TYoWnQJV5~DJ{0KQs#x5C zI*|8M^hM0oarxJNQ~jMs-h2dWyESEe8>TE`CCl-J)jV|C>JHPY{^9kiZTkGR+UiDR xFK5swtgKZ=Sr2M%qI3vtzxwB&F_}@zie5^;FL^#EZh-H>9I?kA64;))^j~ttJQn}} From 6173b44cca433b0e63abbc4ae4ebb2ff09fc003a Mon Sep 17 00:00:00 2001 From: Adrian Hayler Date: Tue, 12 May 2026 16:03:14 +0200 Subject: [PATCH 4/4] Drop the .gitignore tweak from this PR; out of scope MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit The previous commit on this branch re-added .local/ to .gitignore. That's unrelated to the shap-bridge-helper change and just here because I'd accidentally let pre-commit stage test-plot artifacts under .local/ in a prior commit on this branch. The untrack-from-index part of that commit is correct and stays — it cleans up the accidental staging. The .gitignore line itself is reverted; .local/ stays as it was on main. The local plot artifacts at .local/shap_example_plots/ have been deleted from my working tree (they were never on this PR after 1fab4d0). Co-Authored-By: Claude Opus 4.7 (1M context) --- .gitignore | 3 --- 1 file changed, 3 deletions(-) diff --git a/.gitignore b/.gitignore index cda7c7df..66ac7b85 100644 --- a/.gitignore +++ b/.gitignore @@ -151,6 +151,3 @@ commit_messages.txt CLAUDE.md .claude/*.local.* .claude/worktrees/ - -# ad-hoc local artifacts (test plots, scratch dirs, etc.) -.local/