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Generative models on phase space

Zachary Bogorad, Ibrahim Elsharkawy, Yonatan Kahn, Andrew J. Larkoski, Noam Levi

Abstract

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be concentrated on a submanifold of the data embedding space. For high-energy physics data, consisting of collections of relativistic energy-momentum 4-vectors, this submanifold can enforce extremely strong physically-motivated priors, such as energy and momentum conservation. If these constraints are learned only approximately, rather than exactly, this can inhibit the interpretability and reliability of such generative models. To remedy this deficiency, we introduce generative models which are, by construction, confined at every step of their sampling trajectory to the manifold of massless N-particle Lorentz-invariant phase space in the center-of-momentum frame. In the case of diffusion models, the "pure noise" forward process endpoint corresponds to the uniform distribution on phase space, which provides a clear starting point from which to identify how correlations among the particles emerge during the reverse (de-noising) process. We demonstrate that our models are able to learn both few-particle and many-particle distributions with various singularity structures, paving the way for future interpretability studies using generative models trained on simulated jet data.

Generative models on phase space

Abstract

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be concentrated on a submanifold of the data embedding space. For high-energy physics data, consisting of collections of relativistic energy-momentum 4-vectors, this submanifold can enforce extremely strong physically-motivated priors, such as energy and momentum conservation. If these constraints are learned only approximately, rather than exactly, this can inhibit the interpretability and reliability of such generative models. To remedy this deficiency, we introduce generative models which are, by construction, confined at every step of their sampling trajectory to the manifold of massless N-particle Lorentz-invariant phase space in the center-of-momentum frame. In the case of diffusion models, the "pure noise" forward process endpoint corresponds to the uniform distribution on phase space, which provides a clear starting point from which to identify how correlations among the particles emerge during the reverse (de-noising) process. We demonstrate that our models are able to learn both few-particle and many-particle distributions with various singularity structures, paving the way for future interpretability studies using generative models trained on simulated jet data.

Paper Structure

This paper contains 29 sections, 35 equations, 22 figures, 3 tables.

Figures (22)

  • Figure 1: (Left) Dalitz plot of 100,000 samples from the muon decay distribution (\ref{['eq:w_muon']}). (Center) Dalitz plot of 100,000 samples from the reverse process of the diffusion model trained on the data in the left panel. (Right) Uniform phase space for comparison.
  • Figure 2: Distributions of the logarithm of the theoretical Dalitz plot PDF for the true muon decay distribution and for our generated distribution.
  • Figure 3: Energy distributions for the muon decay matrix element.
  • Figure 4: Distributions of the Rosenblatt transformation parameters $u_1 = 16 E_1^3 (1-E_1)$ and $u_2 = v^2(3-4v)/E_1^2/(3-4E_1)$ with $v=E_1 + E_2 - 1/2$ for the true muon decay distribution and for our generated distribution. In the true distribution, $u_1$ and $u_2$ should be independently uniformly distributed on $[0,1]$.
  • Figure 5: Angular distributions for the muon decay matrix element.
  • ...and 17 more figures