Model Misspecification

Latest papers 16

Sep 30, 2026cs.LG

Beyond Model Ranking: Regime Diagnosis for Distributional-Statistical Misspecification in Industrial Time-Series Forecasting

Time-series forecasting models achieve strong benchmark performance but exhibit severe systematic bias in industrial deployments. This train--deploy gap is conventionally attributed to temporal-structural errors or distribution shifts. We characterize a complementary source that these explanations overlook: canonical losses embed fixed statistical priors, while industrial demand mixes benign and pathological regimes---zero-inflation, skewness, high variability---in which these priors are systematically violated. The induced bias persists even under perfect temporal modeling, remains in a distributional-shape component that normalization cannot remove, and creates an aggregation trade-off invisible to aggregate metrics. We turn these observations into an evaluation toolkit centered on the Regime-wise Relative Bias Vector (RBV): a metric-agnostic, regime-decomposed diagnostic that audits how pooled training allocates systematic mismatch across pathological subpopulations. A controlled attribution analysis decomposes RBV into a model-independent intrinsic floor, set by each loss's estimand, and an excess component attributable to training, tracing observed bias to the loss rather than the model. A large-scale study---13 loss objectives, 3 seeds, 60,000+ series spanning RetailShiftBench and M5, with random-split controls---shows that regime-aware diagnosis separates optimization-type from bias-type failure, and that regime-aware training resolves the pooling-induced bias that capacity scaling cannot, for mean-type losses. A formal structural observation, that risk under evaluation-distribution contamination is affine in the pathology mixture weight, grounds these findings. Our work complements model ranking with mechanism-grounded, regime-oriented evaluation.
Sep 30, 2026cs.AI

Who Verifies the Graph? Misspecification Attacks on Causal Action Verification for Language Agents

Causal action verifiers gate an agent's state-changing tool calls by checking whether each proposed intervention is identifiable against a committed action-state graph, and they issue a certificate that carries the identification argument and a one-sided lower confidence bound. One such verifier, CIVeX, reports zero false executions on a confounded tool-use benchmark. We red-team it by corrupting only the committed graph. Omitting a single bidirected edge takes it from zero false executions to 15.3% at the benchmark's published confounding strength, with 91% of its executions harmful and utility falling from +2.27 to +0.35. Reversing one arrowhead, so that a mediator is committed as a confounder, gives 48.9% false executions and no correct ones. Every one of these actions carries an internally valid certificate. An attestation step that tests each observationally certified execution against a bounded randomised sample detected both attacks, with 2 false alarms in 555 executions on a truthful graph; refusing what fails the test, or cannot be tested, gave zero false executions in every setting we measured. It does not restore beneficial execution: at the published strength 97.1% of beneficial actions are still never executed, because the same misspecification rejects them before attestation runs. Those rejections carry certificates too, and auditing them works, but its cost scales with the number of rejections rather than the number of executions. Recovering safety costs 127 experiments per 1,050 actions; recovering the lost value costs 614 more, at which point the audited verifier makes the honest graph's decisions on every instance and spends exactly its experiment budget. An audit that inspects only executions protects against wrongful action. Wrongful inaction has to be paid for separately.
Sep 27, 2026cs.LG

Towards Identifiable Representations under Misspecified Structure

The presence of noise that depends on the latent variables poses a fundamental challenge to identifiability. Existing results rely on conditional independence among the observations given the latent variables. We study a more general \emph{misspecified structure}, where this conditional factorization does not hold, and establish both precise and approximate identifiability guarantees. We characterize structural misspecification as a perturbed factor analysis problem. For precise identifiability, we establish subspace identifiability under spectral separation and controlled perturbation, followed by component-wise identifiability under structural sparsity. When the precise condition is not guaranteed, we derive an approximate subspace-identifiability theorem. Based on these results, we develop an unsupervised variational estimator for recovering latent variables. Experiments demonstrate the effectiveness of the proposed framework.
Aug 13, 2026stat.ML

High-dimensional networks and mean squared error for possibly misspecified models

To avoid missing important variables and their connections in networks, more and more variables are included in network analysis. Here we show that in a setting with many more parameters than observations (high-dimensional) it is possible to get a conservative (i.e., low false positive rate) estimate of the neighbourhood for each node (which connections are in the network). A neighbourhood is often estimated with a linear model, and this leads to two interesting cases: (i) If the true model is linear, then neighbourhood selection work reasonably well, and (ii) if the true model is nonlinear, then neighbourhood selection requires a penalty for the high dimensions. Here we show the impact of the ridge parameter on the mean squared error, and how this leads to low test variance and hence to neighbourhoods with large numbers of edges. We connect these insights with results from machine learning, where the so-called double descent (when more parameters are included than observations, the mean squared error goes down a second time) has put the traditional view on model selection upside down. Essentially, for adequate neighbourhood selection in models with a large number of parameters, the volume of the model space needs to be included in the penalty. Most neighbourhood selection methods (e.g., Lasso, AIC, BIC) lead to spurious edges (high false positive rate), but we prove that in the high-dimensional setting, minimum description length leads to correct neighbourhood selection or smaller (low false positive rates) in both cases when either the model is correctly or incorrectly assumed linear
Aug 4, 2026cs.LG

Wrong Operator or Blind Design? A Reference-Free Diagnostic for Physics-Informed Coefficient Learning

Physics-informed neural networks and hybrid models infer PDE coefficients from noisy data. When a trained network returns one, no standard check says whether to trust it. We show what those checks report when the operator is wrong: one sensor aggregating several diffusion sources. On one parabolic benchmark at 2%2\% noise, the in-domain error is 1.41.4 times the noise while the identified diffusivity settles 30%30\% off. Every least-squares minimiser reaches that value, which drifts 27%27\% across windows; the network, whose objective is composite, settles 1.3%1.3\% away. The checks stay as silent when the design is blind to a rate of a richer operator, though the remedies are opposite. We develop a reference-free diagnostic, read in the physical parameter, not the weights, without retraining the network: an information-matrix test on the residuals, a heterogeneity statistic across window refits, and a Fisher-rank statistic on the design at the rates the single fit postulates. On the analytic head the specification test holds its pre-registered ceiling and rejects every misspecified replicate of both benchmark configurations, with a notch against a missing reaction term. The rank statistic is exactly zero only where the design is blind; a wrong operator confined to that mode leaves the specification test mute, and the rank statistic says so before any fit. The window reading exceeds its ceiling by one seed in thirty. A network frozen at its minimum returns the same verdicts; one stopped short rejects as a wrong operator would.
Jun 30, 2026cs.LG

Calibration, Not Compilation: Detecting and Repairing Misspecified Probabilistic Programs Written by Language Models

Language models increasingly write probabilistic programs (in NumPyro, Stan, or Pyro), but a program that compiles, runs, and passes every unit test can still be \emph{statistically} wrong -- a Gaussian likelihood for heavy-tailed data, a Poisson for over-dispersed counts, an invalid prior support, or a pathological parameterization. The right verifier is therefore not a test suite but the Bayesian workflow itself: posterior predictive checks, simulation-based calibration, sampler diagnostics (R^\hat R, divergences, ESS), and held-out predictive density. We study this calibration oracle along three axes. \textbf{Detection:} on a benchmark of 1414 misspecification types across 1010 model families (200200 instances), it flags the bug with AUC 0.970.97 (88%88\% at 2%2\% FPR \emph{when handed the correct reference program, an upper bound}) -- and a fully \emph{reference-free} version that uses no correct program reaches 6262--78%78\% (the upper figure from a small automated model search), versus 0%0\% for a unit-test oracle. \textbf{Repair:} used as feedback in an LLM repair loop across fifteen models, calibration significantly outperforms unit-test feedback -- which is itself \emph{significantly worse than no feedback at all}, a passing test inducing false confidence that suppresses repair -- and improves over no feedback on strong-but-unsaturated models (GPT-5.1 33→92%33{\to}92\%, Claude 75→100%75{\to}100\%; paired McNemar, n=228n{=}228). \textbf{Reality:} on programs LLMs write from scratch for neutral briefs, 1515--47%47\% of runnable ones are statistically misspecified (unit tests catch none), and calibration-guided repair significantly beats LLM-as-judge review, a Bayesian-workflow checklist, and data-summary self-debug. Across all three, the lesson is the same: for probabilistic programs, correctness is calibration, not compilation.
Jun 23, 2026cs.LG

Silent Failures in Physics-Informed Neural Networks: Parameter Poisoning and the Limits of Loss-Based Validation

Physics-informed neural networks (PINNs) embed governing equations in their loss function, enabling mesh-free solutions to partial differential equations. Low training loss is treated as evidence that the learned solution is physically correct. This paper shows that assumption breaks down when encoded physics are incorrect. By perturbing PDE parameters before training, a setting we describe as physics parameter poisoning or parameter misspecification, we produce models that train to low loss but give incorrect answers; we treat the perturbation schedule as sensitivity analysis rather than only as a security threat, and none of our claims requires an adversary. Achieving low residual loss does not discriminate accurate from inaccurate solutions: poisoned models reach losses at or below the clean baseline yet differ by large margins, so driving the residual down is not evidence of physical accuracy. Across three PDE systems (Burgers equation, Navier-Stokes cavity, and convection-diffusion), poisoned models match or beat the clean-model training loss while their solutions differ by up to 71% in the fixed sweep and up to 128% under adversarial search; at Cavity Re=400 the poisoned loss falls below the clean baseline. We define a detection difficulty ratio R (solution error divided by training loss) to summarize how invisible the corruption is, though cross-PDE comparison is complicated by differences in loss scale. We test six candidate defenses, none of which reliably detects corruption across all regimes. We propose a post-hoc defense: sweeping the PDE residual loss across parameter values without retraining. The loss minimum recovers the true training parameter without external data, and generalizes across all three PDE systems. The effect holds across five network architectures (8.7K to 133K parameters), is bidirectional, and is confirmed across multiple random seeds.
Jun 22, 2026physics.data-an

Where Is My Physics Wrong? Localized and Identifiable Discovery of Model Discrepancy

Hybrid models combine trusted physics with data-driven correction, but a physical model is rarely wrong everywhere or in the same way. The key diagnostic question is local: where does the model fail, what missing mechanism explains the failure, and is the evidence statistically real? Existing sparse-discovery and discrepancy-learning methods usually fit one global correction, which can spread a local error into clean regimes, bias trusted physical parameters, and provide no calibrated significance for selected terms. We introduce LISDD, Localized, Identifiable Sparse Discovery of Discrepancy, a framework that localizes model error to an operating regime, identifies a sparse symbolic form for the missing mechanism, and certifies the discovery with an exact finite-sample test. LISDD fits the known physics on an automatically detected clean regime, flags discrepant regions with a calibrated residual-energy statistic, selects the local missing term by exhaustive holdout over a candidate library, and confirms significance with a sample-split FF-test. A false-discovery-rate extension handles multiple discrepant regions with different missing mechanisms. In controlled experiments, LISDD keeps physical-parameter bias at 0.002 versus 0.43 for global-discrepancy and black-box baselines, raises localization F1F_1 from 0.44 to 0.80, recovers the correct symbolic form with probability one, attains exact detection, and controls the multi-region false-discovery rate while recovering every planted mechanism. The result is a calibrated diagnostic tool for grey-box building-energy models when a fixed physical law silently breaks in one operating regime.
Jun 15, 2026cs.AI

MA-SBI: Misspecification-Aware Simulation-Based Inference via Side-Channel Guidance

Simulation-based inference (SBI) of latent parameters is often hindered by simulator misspecification, the mismatch between simulated and real-world observations caused by inherent modeling simplifications. RoPE, the recent state-of-the-art for robust SBI, addresses this through optimal transport between learned representations of real and simulated observations, but requires ground-truth parameter calibration pairs that are typically unavailable in the very settings where SBI is needed. What practitioners do have is unstructured side-information such as regime labels, instruction text, and policy bulletins. We propose Misspecification-Aware Simulation-Based Inference (MA-SBI), a calibration-free framework that turns this side-channel into a posterior correction. A learned corrector maps side-channel text to an observation-space shift applied before any pre-trained amortized posterior, requiring no retraining and no parameter ground-truth. Our main theorem bounds achievable bias reduction by the mutual information between misspecification and side-channel, with a non-vacuous constant that extends to all sub-Gaussian noise via Donsker-Varadhan. On hide-the-calibration benchmarks, MA-SBI with text alone matches the oracle posterior across 10 seeds and two backbones (TOST equivalence), while RoPE given more data does not. The two approaches are complementary: where misspecification is structural and recoverable from parameter pairs, RoPE dominates, as the theory predicts. A stochastic variant improves posterior-predictive log-likelihood on real COVID and OxCGRT epidemiological data, and correctly leaves the posterior unchanged on a well-specified cognitive-science corpus.
Jun 4, 2026cs.LG

Online KL-Regularized Reinforcement Learning with Function Approximation under Misspecification

We study KL-regularized contextual bandits and episodic reinforcement learning (RL) under general function approximation with model misspecification. Existing guarantees rely on realizability and therefore do not extend to misspecified models, where classical regret bounds may fail. This work introduces KL misspecification formulations for contextual bandits and episodic RL and analyzes regression-based algorithms with Gibbs policy updates. High-probability KL-regret guarantees with explicit misspecification terms are established, recovering the standard realizable KL-regularized setting as a special case.
May 26, 2026cs.LG

When Should an AI Scientist Stop? Verifiable Experiment Steering and Refusal for Autonomous Discovery

We present CARTOGRAPH, a verification layer for AI scientists that couples unresolved-subspace experiment steering (select), explicit ambiguity closure (resolve), and residual-based library inadequacy detection (refuse). Under a local linear-Gaussian bridge, raw unresolved projection is the isotropic unresolved Fisher-information trace, while CARTOGRAPH-A is the exact unresolved A-optimal rule; closed-form EIG and Box-Hill arise as local comparators rather than global equivalents. Across five testbeds, CARTOGRAPH-A beats raw projection 129W/0T/15L at d = 8 (p < 10^-21) in a replicated structured cascade. More distinctively, the framework tentatively identifies three out-of-library pharmacokinetic mechanisms and then revokes those identifications as residuals expose structural misfit, while one perturbed in-library control stays identified throughout. In low-dimensional pharmacokinetic and filtered EPA settings, near-ties against disagreement are predicted by theory and observed. Finally, in a retrospective audit of 40 positive claims from the published A-Lab autonomous materials system, the refuse guard flags all 4 claims later marked inconclusive under manual reanalysis while passing 32/36 confirmed claims. Code is available at https://github.com/ai4science-boed/cartograph.git
May 22, 2026cs.LG

Infra-Bayesian Reinforcement Learning Agents Outperform Classical RL For Worst-Case Robustness

Classical reinforcement learning assumes the agent interacts with a fixed environment whose behavior does not depend on the agent's policy. This assumption breaks down in non-realizable settings where other actors might anticipate the agent's behavior, including environments crucial to AI safety, where the agent interacts with predictors, humans, other AI agents, and institutions. In such settings, the agent's model class fails to capture the world in which it operates. Under such misspecification, classical Bayesian methods can produce confidently wrong posteriors, unreliable decisions, and unbounded regret, as realizability fails to obtain. Infra-Bayesianism is a decision-theoretic framework that addresses these failures by distinguishing ordinary probabilistic uncertainty, where priors can be reasonably chosen, from Knightian uncertainty, where no grounds exist for the construction of such a prior. It does so by evaluating actions on their worst-case outcomes, rather than from posterior expectations or weighted averaging. We present the first proof-of-concept implementation of an infra-Bayesian reinforcement learning architecture for finite-outcome stateless decision problems. Our agent maintains a set of imprecise hypotheses, updates them using infra-Bayesian conditioning, and selects actions by maximizing worst-case expected value. We apply this implementation of the infra-Bayesian maximin decision process to an environment with Knightian uncertainty, and demonstrate a lower worst-case regret as compared to classical reinforcement learning agents. We also investigate Newcomb's problem and show that the infra-Bayesian agent picks the optimal strategy, outperforming classical decision theory agents. Our results provide a step towards reinforcement learning agents that remain robust under model misspecification and policy-dependent uncertainty.
May 13, 2026stat.ML

Robust Sequential Experimental Design for A/B Testing

Experimental design has emerged as a powerful approach for improving the sample efficiency of A/B testing, yet existing designs rely critically on correctly specified models. We study robust sequential experimental design under model misspecification and develop a unified framework that covers both contextual bandit and dynamic settings. Theoretically, we prove that our design bounds the worst-case mean squared error of the estimated treatment effect. Empirically, we demonstrate the effectiveness of the proposed approach using synthetic and real-world datasets from a leading technology company.
May 7, 2026cs.LG

Information-Preserving Domain Transfer with Unlabeled Data in Misspecified Simulation-Based Inference

Simulation-based inference (SBI) provides amortized Bayesian parameter inference from simulator-generated data without requiring explicit likelihood evaluation. Its reliability can degrade under model misspecification, where real-world observations are not well represented by the simulator used for training. Existing methods using unlabeled real-world data often align simulated and real-world data distributions, but marginal alignment alone does not directly preserve parameter-relevant information needed for posterior inference. We propose SPIN, an SBI framework with parameter-relevant information-preserving domain transfer using unlabeled, unpaired real-world observations. During training, SPIN translates labeled simulator observations toward the real-world domain and back to the simulator domain, using the original simulator labels to encourage domain transfer that preserves parameter-relevant mutual information. At test time, the learned real-to-simulator transport maps real-world observations into the simulator domain for posterior inference, without requiring real-world parameter labels or paired real--simulator observations. Across controlled synthetic and physical real-world benchmarks, SPIN improves real-world posterior inference, with the improvement becoming clearer as misspecification increases.
Oct 18, 2024stat.ML

Predictive variational inference: Learn the predictively optimal posterior distribution

Vanilla variational inference finds an optimal approximation to the Bayesian posterior distribution, but even the exact Bayesian posterior is often not meaningful under model misspecification. We propose predictive variational inference (PVI): a general inference framework that seeks and samples from an optimal posterior density such that the resulting posterior predictive distribution is as close to the true data generating process as possible, while this closeness is measured by multiple scoring rules. By optimizing the objective, the predictive variational inference is generally not the same as, or even attempting to approximate, the Bayesian posterior, even asymptotically. Rather, we interpret it as implicit hierarchical expansion. Further, the learned posterior uncertainty detects heterogeneity of parameters among the population, enabling automatic model diagnosis. This framework applies to both likelihood-exact and likelihood-free models. We demonstrate its application in real data examples.
Jan 6, 2022stat.ML

Robust Linear Predictions: Analyses of Uniform Concentration, Fast Rates and Model Misspecification

The problem of linear predictions has been extensively studied for the past century under pretty generalized frameworks. Recent advances in the robust statistics literature allow us to analyze robust versions of classical linear models through the prism of Median of Means (MoM). Combining these approaches in a piecemeal way might lead to ad-hoc procedures, and the restricted theoretical conclusions that underpin each individual contribution may no longer be valid. To meet these challenges coherently, in this study, we offer a unified robust framework that includes a broad variety of linear prediction problems on a Hilbert space, coupled with a generic class of loss functions. Notably, we do not require any assumptions on the distribution of the outlying data points (O\mathcal{O}) nor the compactness of the support of the inlying ones (I\mathcal{I}). Under mild conditions on the dual norm, we show that for misspecification level εε, these estimators achieve an error rate of O(max⁡{∣O∣1/2n−1/2,∣I∣1/2n−1}+ε)O(\max\left\{|\mathcal{O}|^{1/2}n^{-1/2}, |\mathcal{I}|^{1/2}n^{-1} \right\}+ε), matching the best-known rates in literature. This rate is slightly slower than the classical rates of O(n−1/2)O(n^{-1/2}), indicating that we need to pay a price in terms of error rates to obtain robust estimates. Additionally, we show that this rate can be improved to achieve so-called "fast rates" under additional assumptions.