From 6efce0044bc4b13519f9f81b826ad9d342c88c41 Mon Sep 17 00:00:00 2001 From: =?utf8?q?J=C3=A9r=C3=B4me=20Benoit?= Date: Sat, 19 Apr 2025 20:21:26 +0200 Subject: [PATCH] refactor(qav3): add Boltzmann operator MIME-Version: 1.0 Content-Type: text/plain; charset=utf8 Content-Transfer-Encoding: 8bit Signed-off-by: Jérôme Benoit --- .../freqaimodels/QuickAdapterRegressorV3.py | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/quickadapter/user_data/freqaimodels/QuickAdapterRegressorV3.py b/quickadapter/user_data/freqaimodels/QuickAdapterRegressorV3.py index 8c71392..a2527ce 100644 --- a/quickadapter/user_data/freqaimodels/QuickAdapterRegressorV3.py +++ b/quickadapter/user_data/freqaimodels/QuickAdapterRegressorV3.py @@ -999,6 +999,22 @@ def smoothed_min(series: pd.Series, temperature=1.0) -> float: return -sp.special.logsumexp(-temperature * data_array) / temperature +def boltzmann_operator(series: pd.Series, alpha: float) -> float: + """ + Compute the Boltzmann operator of an series with parameter alpha. + """ + data_array = series.to_numpy() + if data_array.size == 0: + return np.nan + if alpha == 0: + return np.mean(data_array) + scaled_data = alpha * data_array + shifted_exponentials = np.exp(scaled_data - np.max(scaled_data)) + numerator = np.sum(data_array * shifted_exponentials) + denominator = np.sum(shifted_exponentials) + return numerator / denominator + + def round_to_nearest(value: float, step: int) -> int: """ Round a value to the nearest multiple of a given step. -- 2.43.0