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Truncated Marginal Neural Ratio Estimation (2107.01214v2)

Published 2 Jul 2021 in stat.ML, astro-ph.IM, cs.LG, and hep-ph

Abstract: Parametric stochastic simulators are ubiquitous in science, often featuring high-dimensional input parameters and/or an intractable likelihood. Performing Bayesian parameter inference in this context can be challenging. We present a neural simulation-based inference algorithm which simultaneously offers simulation efficiency and fast empirical posterior testability, which is unique among modern algorithms. Our approach is simulation efficient by simultaneously estimating low-dimensional marginal posteriors instead of the joint posterior and by proposing simulations targeted to an observation of interest via a prior suitably truncated by an indicator function. Furthermore, by estimating a locally amortized posterior our algorithm enables efficient empirical tests of the robustness of the inference results. Since scientists cannot access the ground truth, these tests are necessary for trusting inference in real-world applications. We perform experiments on a marginalized version of the simulation-based inference benchmark and two complex and narrow posteriors, highlighting the simulator efficiency of our algorithm as well as the quality of the estimated marginal posteriors.

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Authors (5)
  1. Benjamin Kurt Miller (16 papers)
  2. Alex Cole (18 papers)
  3. Patrick Forré (53 papers)
  4. Gilles Louppe (68 papers)
  5. Christoph Weniger (119 papers)
Citations (34)

Summary

  • The paper's main contribution is TMNRE, which estimates low-dimensional marginal posteriors through targeted truncation to reduce computation costs.
  • It employs local amortization to enable robust empirical testing of inference results where ground truth is unavailable.
  • Experimental results demonstrate significant improvements in simulation efficiency and accuracy compared to traditional methods.

Truncated Marginal Neural Ratio Estimation: A Detailed Examination

The paper presents a novel approach in the domain of simulation-based inference, focusing on the challenges posed by high-dimensional parametric stochastic simulators with often intractable likelihoods. This work introduces the Truncated Marginal Neural Ratio Estimation (TMNRE) method, which aims to balance the efficiency of simulations with the empirical testability of posterior estimates, a dual objective that has been challenging to achieve in the field.

Methodological Advances

The key innovation of TMNRE lies in its focus on estimating low-dimensional marginal posteriors rather than the complete joint posterior. This approach is motivated by the observation that meaningful scientific insights often require only these marginal estimates, reducing computational costs without sacrificing inference quality. TMNRE utilizes a simulation strategy that targets parameter regions most relevant to the data by adapting the prior with a truncation mechanism based on an indicator function. This method enhances the simulation efficiency by not allocating resources to areas of parameter space with negligible posterior probability.

Another novel aspect of TMNRE is its emphasis on local amortization, which facilitates robust empirical tests of the inference results. This addresses a critical need in scientific applications where access to the ground truth is not possible, thereby demanding methodologies that enable trust in the posterior estimates through empirical verification.

Performance and Implications

The paper reports on experiments conducted using a marginalized version of standard simulation-based inference benchmarks, as well as on complex and narrow posteriors, to illustrate TMNRE's efficiency and accuracy. The method shows significant improvements in simulator efficiency and quality of the estimated marginal posteriors. For the evaluation, existing methods such as Approximate Bayesian Computation (ABC) and various neural likelihood or posterior estimation techniques were compared against TMNRE. Results suggest that TMNRE not only achieves a balance between accuracy and simulation cost but also maintains robustness, demonstrated by the ability of the method to empirically verify credible regions using truncated posterior estimates.

Additionally, TMNRE's targeted refinement mechanism combined with its architecture allows accurate local approximations of the posterior, thus facilitating scientific analyses where the full joint posterior might be computationally prohibitive or unnecessary.

Practical and Theoretical Implications

The practical implications of this research are broad, particularly in fields that rely heavily on simulators with complex, high-dimensional parameter spaces like physics, climate science, and biology. The proposed method potentially enables these fields to conduct rigorous and computationally feasible parameter inferences, which could accelerate discovery and innovation. Theoretically, TMNRE’s approach to truncating and marginalizing posteriors may inspire new methods in Bayesian inference that break from the traditional necessity of estimating joint distributions, focusing instead on efficiently obtaining practically relevant results.

Future Directions

Given the promising results, further research may explore extensions of TMNRE to even more complex simulators and additional applications. There is also potential in enhancing the truncation and local amortization strategies using adaptive methods, possibly incorporating advances in variational autoencoders or neural topic modeling to dynamically adjust the computation focus based on evolving posterior estimates. Additionally, one could consider the method's integration with other uncertainty quantification techniques, enabling even more robust empirical tests. Such developments would solidify TMNRE’s position as a critical tool in the arsenal of modern inference methods for scientific inquiry.