In many decision-making settings, new interventions are acceptable only if they do not reduce outcomes below some established threshold. For example, in clinical medicine, new treatments are often acceptable only if they do not worsen outcomes relative to an established standard of care. Safe Bayesian optimization maximizes an objective subject to safety constraints. In the setting that we consider here, safety is defined relative to a known baseline policy whose outcomes are counterfactual and therefore unobserved. Thus, the counterfactual outcomes of the baseline policy must be estimated and those (uncertain) estimates must be used to safely optimize the objective. We address this estimation problem by using conformal prediction to construct valid uncertainty intervals for counterfactual baseline outcomes, and we show how these intervals can be integrated into safe Bayesian optimization to ensure that constraint violations occur at or below a user-specified rate. We also show how to adapt these conformal estimates to different kinds of covariate shift. We provide a safety proof, experimental evidence, and a sensitivity analysis.
Many operational decisions are sequences of interventions under a cumulative resource limit, such as a maintenance schedule within a crew-hour budget. Choosing among them calls for the outcome and the cumulative cost each would produce, counterfactual quantities identified from observational data. Two strategies with the same expected cost can exceed the budget at very different rates, so constraining the mean does not bound how often an overrun occurs. Prior two-step architectures, recently extended to continuous doses, constrain the mean cost rather than its tail and allocate at a single decision point. Methods that do bound a cost tail take its distribution from a specified model rather than identifying it from data. We present a predict-then-optimize framework. In the prediction step, any estimator returning an outcome value and a cost distribution supplies what the decision rule consumes, so the predictor is interchangeable. In the optimization step, a chance-constrained selection over a finite candidate set bounds the probability that the cumulative cost exceeds the budget. That tail does not decompose across stages, so each strategy is scored whole. Sweeping the tolerated violation probability traces a safety-utility frontier, and distribution-free finite-sample bounds cover violation and outcome shortfall. Four of five environments, spanning clinical treatment and equipment maintenance, supply exact counterfactual ground truth; the fifth carries real outcomes from a digital-health micro-randomized trial. Across them, the rule holds the budget where a point-estimate rule overruns it, at an outcome cost the frontier makes explicit. All code is available at https://github.com/mfriendly/counterfactual-chance-selection
An agent must try new behaviors to explore and improve. In high-stakes environments, an agent that violates safety constraints may cause harm and must be taken offline, curtailing any future interaction. Imitating old behavior is safe, but excessive conservatism discourages exploration. How much behavior change is too much? We show how to use any safe reference policy as a probabilistic regulator for any optimized but untested policy. Conformal calibration on data from the safe policy determines how aggressively the new policy can act, while provably enforcing the user's declared risk tolerance. Unlike conservative optimization methods, we do not assume the user has identified the correct model class nor tuned any hyperparameters. Unlike previous conformal methods, our theory provides finite-sample guarantees even for non-monotonic bounded loss functions, and it introduces a new policy control setting. Our experiments on applications ranging from natural language question answering to biomolecular engineering show that safe exploration is not only possible from the first moment of deployment, but can also improve performance.
Predictions are increasingly used to guide high-stakes decisions, from treatment selection to policy making. To ensure reliability with imperfect predictions, uncertainty quantification methods such as conformal prediction build prediction sets with coverage guarantees. However, statistical validity alone does not immediately determine the decisions to take, nor the optimality thereof. This gap is especially delicate in counterfactual settings where the outcome that materializes depends on the action taken, so uncertainty cannot be specified independently of the decision rule. We develop a decision-theoretic framework for uncertainty-informed counterfactual decisions. We identify a novel notion of \emph{policy-coupled coverage} -- namely, coverage of the realized outcome under the action induced by the prediction sets themselves -- as the optimal and lossless interface between uncertainty and action. It plays three roles. First, it justifies acting via a natural max-min rule as minimax-optimal under distributional ambiguity. Second, optimizing prediction sets under policy-coupled coverage is equivalent both to a stronger universal-coverage formulation and to the direct risk-averse optimization over policies and utility certificates; this equivalence yields the explicit form of the population-optimal prediction sets. Third, it admits a two-stage procedure, Policy-Coupled Risk-Averse Conformal Prediction (PC-RACP), that approximates these optimal sets with rigorous finite-sample coverage. Simulations and a real email-marketing experiment confirm that PC-RACP delivers higher utility than existing approaches while maintaining valid coverage, and that ignoring the counterfactual structure of the decision problem is suboptimal for both validity and utility.