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A Trust Crisis In Simulation-Based Inference? Your Posterior Approximations Can Be Unfaithful (2110.06581v3)

Published 13 Oct 2021 in stat.ML and cs.LG

Abstract: We present extensive empirical evidence showing that current Bayesian simulation-based inference algorithms can produce computationally unfaithful posterior approximations. Our results show that all benchmarked algorithms -- (Sequential) Neural Posterior Estimation, (Sequential) Neural Ratio Estimation, Sequential Neural Likelihood and variants of Approximate Bayesian Computation -- can yield overconfident posterior approximations, which makes them unreliable for scientific use cases and falsificationist inquiry. Failing to address this issue may reduce the range of applicability of simulation-based inference. For this reason, we argue that research efforts should be made towards theoretical and methodological developments of conservative approximate inference algorithms and present research directions towards this objective. In this regard, we show empirical evidence that ensembling posterior surrogates provides more reliable approximations and mitigates the issue.

Citations (37)

Summary

  • The paper demonstrates that popular simulation-based inference methods can produce overconfident posterior approximations that may mislead scientific conclusions.
  • It underscores the need for conservative, uncertainty-embracing approaches rather than overly exact estimations in Bayesian analysis.
  • Empirical evidence supports the use of ensemble surrogate methods to effectively capture both data and epistemic uncertainties.

Analysis of the Unfaithfulness in Simulation-Based Bayesian Inference

The paper addresses a critical issue in simulation-based inference algorithms, particularly the potential for producing unfaithful posterior approximations, which compromises their reliability. It explores various Bayesian inference algorithms, including Sequential Neural Posterior Estimation (SNPE), Sequential Neural Ratio Estimation (SNRE), and Sequential Neural Likelihood (SNL), alongside Approximate Bayesian Computation (ABC) and other variants. Through extensive empirical testing, the authors demonstrate the pitfalls these methodologies can encounter, such as their tendency to yield overconfident posterior approximations.

Key Findings

  1. Unfaithfulness in Posterior Approximations: The paper presents evidence that popular simulation-based inference algorithms can produce overconfident posterior approximations. Such unfaithfulness raises concern because these algorithms are widely employed across scientific disciplines that rely on simulations to unravel complex phenomena.
  2. Conservativeness vs. Exactness: The results emphasize a distinctive need in domain sciences for posterior approximations that are conservative rather than exact. This implies preferring estimations that refrain from excluding plausible values, thereby avoiding misleading scientific conclusions.
  3. Ensemble Methods as Mitigation: Empirical evidence reveals that using ensembles of posterior surrogates leads to more reliable approximations, mitigating the overconfidence issue. By capturing both data uncertainty and epistemic uncertainty, ensemble approaches bolster the conservativeness of credible regions.
  4. Computational Load: The paper underscores the computational feasibility of using amortized approaches for statistical validation over non-amortized algorithms. The latter requires significant computations, making the global coverage analysis of non-amortized methods impractical for high-dimensional problems.

Implications and Future Directions

The implications of this research extend across methodological and practical spectrums. Theoretically, it invites continued exploration into the development of conservative approximate inference algorithms that guarantee safer and scientifically sound posterior estimations.

From a practical standpoint, this paper propels discourse towards refining post-training calibration methods, which can enhance the reliability of posterior distributions. Additionally, the use of ensemble models as standard practice for mitigating non-conservativeness is one viable solution ripe for further exploration.

The paper also opens dialogue on the computational efficiency of simulation-based inference methodologies. Although the authors affirm the reliability of amortized methods in contrast to non-amortized ones, they propose an ongoing need for simulation-efficient solutions that maintain robust statistical validations in inferential algorithms.

Conclusion

The findings accentuate a pivotal concern in simulation-based inference—the reliability of posterior approximations in scientific inquiries. By advocating for conservative inference, the authors draw attention to the nuance required in scientific rigor when dealing with complex simulations. Future research directions highlighted by the authors may very well elevate the standard of reliability and applicability of simulation-based Bayesian inference in various scientific realms.

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