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Conditional Inference Trees and Forests for Feature Selection

arXiv.org Machine Learning

Conditional inference trees (CIT) and conditional inference forests (CIF) reduce split-selection bias by testing features before choosing split thresholds, but repeated permutation tests and threshold searches can make these methods computationally expensive. We study CIT and CIF as top-$k$ feature-ranking methods for downstream prediction using real-data benchmarks, runtime ablations, and synthetic feature-recovery experiments. At a fixed node, if the features and permutation budget do not depend on the node responses, Bonferroni-corrected $+1$ Monte Carlo permutation $p$-values control nodewise rejection under the complete permutation null. CIF ranks 4th among 17 classification methods on 22 datasets and 3rd among 18 regression methods on 8 datasets. With Bonferroni correction held fixed, the CIF runtime ablations indicate that adaptive stopping and the number of thresholds searched have the largest measured effect on runtime: turning off adaptive stopping and using exact threshold search increase fitting time by 4.0--8.4$\times$ and 1.9--10.8$\times$, respectively, while downstream score changes are at most 0.011. Sparse high-$p$ simulations indicate that forest feature sampling can leave informative features out of many split decisions. Overall, the results support CIF as a top-$k$ feature-ranking method in the evaluated downstream prediction benchmarks.


Sequential Structure-Sensitive Residual Diagnostics for PDE Inverse Problems

arXiv.org Machine Learning

Computational models in science and engineering are often assessed by checking whether the residual norm is consistent with the assumed noise level. This can be misleading in smoothing inverse problems: structured model errors may be attenuated in observation space, leaving residual magnitudes below practitioner discrepancy thresholds while coherent residual patterns remain. As a result, residual-norm diagnostics can accept fitted models that still give biased parameters, predictions, or quantities of interest. We propose a structure-sensitive sequential diagnostic based on e-processes. The method uses a portfolio of spatial residual-pattern experts, updates their likelihood-ratio wealth as observations are processed, and rejects the fitted model when the aggregate wealth crosses a prescribed threshold, giving anytime-valid type-I error control for a fixed fitted model. We compare the method with Morozov discrepancy checks, fixed-sample residual tests, and batch projection tests. Across three inverse problems (elliptic diffusion, two-dimensional Stokes flow, and a glaciological ice-stream inversion implemented in the community finite-element model icepack) we demonstrate how standard discrepancy checks accept misspecified fits that produce materially wrong quantities of interest. Structure-sensitive batch tests detect these failures using the full dataset, while the e-process detects them earlier from a fraction of the observations. After rejection, the expert wealth attributes the evidence to residual patterns in the chosen dictionary and provides a basis for exploratory model correction.


Online Safety Monitoring for LLMs

arXiv.org Machine Learning

We deploy a simple into our everyday lives as search engines (Jin et al., 2025; statistical framework based on risk control (Angelopoulos Xiong et al., 2024), coding assistants (Zhao et al., 2023), et al., 2022) that converts any safety signal into a binary and companions (Zhang et al., 2025a). As their applicability grows, so does the potential harm caused by malicious decision rule, and offers statistical guarantees on the false LLM outputs. Despite remarkable performance across a alarm or missed detection rate. The framework is universally applicable to different monitoring purposes and can leverage wide range of tasks, LLMs remain prone to generating halarbitrary proxy signals. Through experiments on mathematlucinated, factually incorrect (Ravichander et al., 2025), or ical problem solving and red teaming conversations, we harmful output (Yu et al., 2025) when deployed.


Decision-Aware Training for Sample-Based Generative Models

arXiv.org Machine Learning

Kornelius Raeth 1 Nicole Ludwig 1 2 Abstractscoring rules distribute the training gradient in proportion to Sample-based generative models are increasingly data density, with no awareness of the decision maker's cost structure. The model's limited capacity is allocated globused for probabilistic forecasting in high-stakes ally, leaving decision-critical regions of the output space decision settings, yet their training objectives are potentially underserved. These models are commonly trained with strictly proper Given a forecast, a decision maker with cost function c(a,y), scoring rules, such as the energy score, which al-of action aand outcome y, selects the action that minimises locate their training signal in proportion to dataexpected cost under the forecast distribution; a point forecast density, with no awareness of where forecast eris insufficient to evaluate this expectation. A good forecast rors are most costly for downstream decisions. Crucially, the energy score objective with a differentiable deci-observed cost of the optimal action is itself a proper scoring sion loss that directly penalises the cost incurredrule (Hartline et al., 2025; Kleinberg et al., 2023), placing by acting on the model's forecast. This combinedit in the same family as the energy score which licenses loss is theoretically grounded, as the decision losstheir combination as a theoretically well-founded training is itself a proper scoring rule. Introduction score acts as that anchor, preventing the model from collapsing outside cost-sensitive regions. Our method is theo-tion based on a temperature forecast, balancing asset loss against the cost of intervention. In the weather domain, retically grounded and leads to better downstream decisions state-of-the-art forecasting systems (Lang et al., 2024; Pricewhile retaining full probabilistic forecasts, as validated on et al., 2023) are trained with strictly proper scoring rulessynthetic and real-world forecasting tasks. A gradient analysis showing which regions benefitscore reduces to the continuous ranked probability score from the decision loss and why, based on the cost (CRPS), widely used in meteorological forecast verificafunction structure. Both model classes introduced above are commonly trained by minimising strictly proper sion calibration.


Online Shift Detection and Conformal Adaptation for Deployed Safety Classifiers

arXiv.org Machine Learning

Safety classifiers deployed in production operate under a stationarity assumption that fails silently: when input distributions drift, accuracy degrades with no error signal until ground-truth labels arrive. We present an online monitor that detects distributional shift in classifier scores via a sliding-window KS statistic with empirically calibrated alarm thresholds. In a pre-registered factorial evaluation (4 classifiers $\times$ 5 shift conditions $\times$ 20 seeds $\times$ 2 window sizes; 800 cells), the monitor achieves 86.6% valid detection (mean latency 39.5 steps) across synthetic-onset, real-jailbreak, and adversarial regimes; a classifier $\times$ shift interaction ($η^2 = 0.185$) shows that monitoring must be tuned per classifier. Attempting to recover post-detection coverage via weighted conformal prediction exposes a failure mode: density-ratio estimation collapses for generative classifiers because logistic regression separates source from target perfectly in 3584-4096-dimensional embedding space, clipping all importance weights to zero; projecting to $\leq 32$ dimensions restores coverage. We then extend the framework to gradient-based evasion and give the first threat-model characterisation of score-disagreement monitoring as a canary. We falsify three assumptions: that architectural diversity drives the signal (false, $η^2 = 0.011$), that it is generic out-of-distribution detection (false, GCG-specific, $p < 10^{-12}$), and that an adaptive attacker can suppress it (false while the canary is confident). We derive the exact security boundary, a confidence-gated equilibrium at which a monitor-aware attacker stalls at gap $= 1/(2λ)$, and provide a calibration-free scan martingale achieving false-alarm rate $\leq 1\%$ across all classifiers with no per-model tuning.


When Is a Draft Accepted? A Theory of Acceptance in Speculative Decoding

arXiv.org Machine Learning

Speculative decoding accelerates language model inference by using a fast drafter to propose candidate tokens that are then verified by a larger target model. Existing theory largely studies the stochastic, distribution-preserving setting, where the goal is to exactly sample from the target distribution. In contrast, many practical systems use greedy decoding, relaxed acceptance rules, or tree-based candidate sets, where success is governed by local ranking and threshold events rather than exact distributional equality. We develop a theory for these regimes. We identify that many common acceptance criteria have rejection regions that can be characterized as lower level sets of the target distribution. For these, we characterize the exact KL divergence required for rejection yielding exact certificates and sharp margin-based bounds for strict greedy decoding, additive and multiplicative relaxed acceptance, top-(m) relaxed criteria, and entropy-thresholded acceptance. We then extend the framework to greedy tree decoding, deriving exact and margin-only certificates for when the target greedy token remains covered by the drafter's top-(m) candidates. Finally, we evaluate the resulting certificates on Qwen3 models, showing that relaxed and tree-based criteria substantially enlarge the region of certified acceptance, especially on decoding steps with low target model distribution margin. These results complement existing distribution-preserving analyses of speculative decoding by characterizing the deterministic local acceptance events common in practical inference systems.


Self-Organized Conformal Prediction: Reducing Regional Coverage Gaps with Unsupervised Group Discovery

arXiv.org Machine Learning

Conformal prediction guarantees marginal coverage, but pooled calibration averages over heterogeneous regions and can mask regional undercoverage in safety-critical subgroups. We introduce Self-Organized Conformal Prediction (SOCP), a calibration scheme that discovers input-space groups with a Self-Organizing Map (SOM) and, at test time, draws a local calibration buffer from the query's best-matching unit (BMU) cell or a fixed grid neighborhood. The same retrieval rule applies to regression and classification tasks across tabular features and image embeddings, leaving the predictor and nonconformity score untouched. SOCP gives exact validity for BMU-cell retrieval and fixed retrieved-set validity for neighborhood buffers; central-cell validity for neighborhood retrieval holds up to a Kolmogorov-Smirnov (KS) bias term. A split-routed extension recovers fixed retrieved-set validity conditional on the routing split. On eight regression and classification benchmarks, SO-SCP reduces the weighted regional coverage gap on $7/8$ datasets (mean paired change $-7.1\%$) for a mean prediction-set size increase of $6.2\%$, with negligible overhead on the largest six datasets; SO-CQR yields smaller gains, since quantile regression already absorbs much of the heterogeneity. By learning groups directly from the input geometry, SOCP provides group-local calibration with exact fixed-group guarantees and approximate central-cell guarantees, without supervised partitions or predictor retraining.


Spectral Perturbation of the Empirical Fisher Information Matrix under Weight Quantization

arXiv.org Machine Learning

The Fisher Information Matrix (FIM) is the canonical local measure of the curvature of a statistical model's log-likelihood surface, and its dominant eigenvalue λmax quantifies the worst-case sensitivity of the model's output distribution to infinitesimal parameter perturbation [1, 2]. The spectral properties of the FIM of neural networks have been studied directly in the random matrix theory literature. Pennington and Worah [4] derive the limiting spectral density of the FIM of a single-hidden-layer network in the high-dimensional asymptotic regime, building on the broader programme of analysing neural network Hessian and kernel spectra via random matrix methods [5, 6], with subsequent work extending these techniques to deeper architectures and non-asymptotic regimes [7, 8]. These results characterize the typical (bulk and edge) spectral behaviour of the FIM for a fixed network and a random or structured input ensemble. This paper studies a complementary question, posed as a perturbation problem rather than an asymptotic-spectrum problem: how does the dominant eigenvalue of a fixed, evaluated empirical FIM change under two specific structured perturbations of the underlying distribution? The first perturbation is a change in the conditioning input away from a reference (in-distribution) ensemble. The second is a structured additive perturbation of the model's own parameters by finite-precision quantization noise -- a perturbation of independent mathematical interest, since it falls outside the i.i.d.-input asymptotic regime treated in the random matrix literature cited above, and instead concerns a fixed network whose parameters, not its input distribution, are perturbed by a noise process with a specific, analytically tractable structure (Definition 4.1). To our knowledge, this parameterperturbation question for the FIM's dominant eigenvalue, under either source of departure, has not been previously formalized.


Gradient boosting with vector-valued leafs

arXiv.org Machine Learning

Gradient boosting in the form of decision tree ensembles has successfully been applied to a variety of problems using simple objective functions based on log-likelihoods of a single variable. The concept extends naturally to objective functions operating on vectors - for example, multinomial logistic log-likelihood for multi-class classification, where observations have a score for each class - but popular frameworks approach these functions by either updating one value of the input vectors at a time, or by using a diagonal upper bound on the second derivative. This work extends the usual gradient boosting framework to functions of vector inputs and sketches a simple algorithm that can be used efficiently with histogram-based decision trees.


When Does Synthetic Data Augmentation Improve Score-Based Imbalanced Classification?

arXiv.org Machine Learning

Synthetic data augmentation is widely used to mitigate class imbalance, but its theoretical effects on score-based classification remain poorly understood. This paper develops a framework for characterizing when synthetic minority augmentation can improve threshold-integrated and threshold-optimized metrics, including AUROC, AUPRC, best-threshold balanced accuracy, and best-threshold \(\F_1\) score. We separate the effect of augmentation into two components: a change in effective class weighting and a discrepancy between the synthetic and true minority distributions. Under well-specified score models, the raw estimator already targets the likelihood-ratio ordering, which is population-optimal for the metrics considered. Consequently, augmentation cannot provide a fundamental population-level improvement beyond possible finite-sample variance reduction, and may introduce additional bias through synthetic distributional error. We further establish minimax lower bounds showing that the raw estimator already achieves the optimal metric-regret rate in the well-specified regime. Under misspecification, however, augmentation can play a qualitatively different role: by changing the effective class balance, it can alter the restricted-class projection and correct ranking errors induced by the raw imbalanced objective. We provide explicit improvement bounds quantifying the roles of approximation error, finite-sample estimation error, and synthetic distributional error. Simulation studies corroborate the theory, demonstrating limited gains under well-specification and nontrivial but nonmonotone improvements under misspecification.