arXiv:2604.04410v1 Announce Type: cross Abstract: Aligning language models with human preferences is essential for ensuring their safety and reliability. Although most existing approaches assume specific human preference models such as the Bradley-Terry model, this assumption may fail to accurately capture true human preferences, and consequently, these methods lack statistical consistency, i.e., the guarantee that language models converge to the true human preference as the number of samples increases. In contrast, direct density ratio optimization (DDRO) achieves statistical consistency without assuming any human preference models. DDRO models the density ratio between preferred and non-preferred data distributions using the language model, and then optimizes it via density ratio estimation. However, this density ratio is unstable and often diverges, leading to training instability of DDRO. In this paper, we propose a novel alignment method that is both stable and statistically consistent. Our approach is based on the relative density ratio between the preferred data distribution and a mixture of the preferred and non-preferred data distributions. Our approach is stable since this relative density ratio is bounded above and does not diverge. Moreover, it is statistically consistent and yields significantly tighter convergence guarantees than DDRO. We experimentally show its effectiveness with Qwen 2.5 and Llama 3.

arXiv:2604.04717v1 Announce Type: cross Abstract: Machine learning (ML) models have achieved strikingly high accuracies in spectroscopic classification tasks, often without a clear proof that those models used chemically meaningful features. Existing studies have linked these results to data preprocessing choices, noise sensitivity, and model complexity, but no unifying explanation is available so far. In this work, we show that these phenomena arise naturally from the intrinsic high dimensionality of spectral data. Using a theoretical analysis grounded in the Feldman-Hajek theorem and the concentration of measure, we show that even infinitesimal distributional differences, caused by noise, normalisation, or instrumental artefacts, may become perfectly separable in high-dimensional spaces. Through a series of specific experiments on synthetic and real fluorescence spectra, we illustrate how models can achieve near-perfect accuracy even when chemical distinctions are absent, and why feature-importance maps may highlight spectrally irrelevant regions. We provide a rigorous theoretical framework, confirm the effect experimentally, and conclude with practical recommendations for building and interpreting ML models in spectroscopy.

arXiv:2604.04868v1 Announce Type: cross Abstract: Tabular foundation models (TFMs) such as TabPFN (Tabular Prior-Data Fitted Network) are designed to generalize across heterogeneous tabular datasets through in-context learning (ICL). They perform prediction in a single forward pass conditioned on labeled examples without dataset-specific parameter updates. This paradigm is particularly attractive in industrial domains (e.g., finance and healthcare) where tabular prediction is pervasive. Retraining a bespoke model for each new table can be costly or infeasible in these settings, while data quality issues such as irrelevant predictors, correlated feature groups, and label noise are common. In this paper, we provide strong empirical evidence that TabPFN is highly robust under these sub-optimal conditions. We study TabPFN and its attention mechanisms for binary classification problems with controlled synthetic perturbations that vary: (i) dataset width by injecting random uncorrelated features and by introducing nonlinearly correlated features, (ii) dataset size by increasing the number of training rows, and (iii) label quality by increasing the fraction of mislabeled targets. Beyond predictive performance, we analyze internal signals including attention concentration and attention-based feature ranking metrics. Across these parametric tests, TabPFN is remarkably resilient: ROC-AUC remains high, attention stays structured and sharp, and informative features are highly ranked by attention-based metrics. Qualitative visualizations with attention heatmaps, feature-token embeddings, and SHAP plots further support a consistent pattern across layers in which TabPFN increasingly concentrates on useful features while separating their signals from noise. Together, these findings suggest that TabPFN is a robust TFM capable of maintaining both predictive performance and coherent internal behavior under various scenarios of data imperfections.

arXiv:2604.04891v1 Announce Type: cross Abstract: Gradient normalization is central in deep-learning optimization because it stabilizes training and reduces sensitivity to scale. For deep architectures, parameters are naturally grouped into matrices or blocks, so spectral normalizations are often more faithful than coordinatewise Euclidean ones; Muon is the main motivating example of this paper. More broadly, we study a family of spectral normalization rules, ranging from ordinary gradient descent to Muon and intermediate Schatten-type schemes, in a mean-field regime where parameters are modeled by probability measures. We introduce a family of Spectral Wasserstein distances indexed by a norm gamma on positive semidefinite matrices. The trace norm recovers the classical quadratic Wasserstein distance, the operator norm recovers the Muon geometry, and intermediate Schatten norms interpolate between them. We develop the static Kantorovich formulation, prove comparison bounds with W2, derive a max-min representation, and obtain a conditional Brenier theorem. For Gaussian marginals, the problem reduces to a constrained optimization on covariance matrices, extending the Bures formula and yielding a closed form for commuting covariances in the Schatten family. For monotone norms, including all Schatten cases, we prove the equivalence between the static and dynamic Benamou-Brenier formulations, deduce that the resulting transport cost is a genuine metric equivalent to W2 in fixed dimension, and show that the induced Gaussian covariance cost is also a metric. We then interpret the associated normalized continuity equation as a Spectral Wasserstein gradient flow, identify its exact finite-particle counterpart as a normalized matrix flow, obtain first geodesic-convexity results, and show how positively homogeneous mean-field models induce a spectral unbalanced transport on the sphere.

arXiv:2006.04363v2 Announce Type: replace-cross Abstract: Dyna-style reinforcement learning (RL) agents improve sample efficiency over model-free RL agents by updating the value function with simulated experience generated by an environment model. However, it is often difficult to learn accurate models of environment dynamics, and even small errors may result in failure of Dyna agents. In this paper, we highlight that one potential cause of that failure is bootstrapping off of the values of simulated states, and introduce a new Dyna algorithm to avoid this failure. We discuss a design space of Dyna algorithms, based on using successor or predecessor models -- simulating forwards or backwards -- and using one-step or multi-step updates. Three of the variants have been explored, but surprisingly the fourth variant has not: using predecessor models with multi-step updates. We present the \emph{Hallucinated Value Hypothesis} (HVH): updating the values of real states towards values of simulated states can result in misleading action values which adversely affect the control policy. We discuss and evaluate all four variants of Dyna amongst which three update real states toward simulated states -- so potentially toward hallucinated values -- and our proposed approach, which does not. The experimental results provide evidence for the HVH, and suggest that using predecessor models with multi-step updates is a promising direction toward developing Dyna algorithms that are more robust to model error.

arXiv:2502.06096v5 Announce Type: replace-cross Abstract: This paper addresses a fundamental but largely unexplored challenge in sequential changepoint analysis: conducting inference following a detected change. We develop a very general framework to construct confidence sets for the unknown changepoint using only the data observed up to a data-dependent stopping time at which an arbitrary sequential detection algorithm declares a change. Our framework is nonparametric, making no assumption on the composite post-change class, the observation space, or the sequential detection procedure used, and is non-asymptotically valid. We also extend it to handle composite pre-change classes under a suitable assumption, and also derive confidence sets for the change magnitude in parametric settings. We provide theoretical guarantees on the width of our confidence intervals. Extensive simulations demonstrate that the produced sets have reasonable size, and slightly conservative coverage. In summary, we present the first general method for sequential changepoint localization, which is theoretically sound and broadly applicable in practice.

arXiv:2505.11211v3 Announce Type: replace-cross Abstract: We propose Bayesian Hierarchical Invariant Prediction (BHIP) reframing Invariant Causal Prediction (ICP) through the lens of Hierarchical Bayes. We leverage the hierarchical structure to explicitly test invariance of causal mechanisms under heterogeneous data, resulting in improved computational scalability for a larger number of predictors compared to ICP. Moreover, given its Bayesian nature BHIP enables the use of prior information. We evaluate BHIP on both synthetic and real-world datasets, demonstrating its potential as an alternative inference method to ICP and related methods.

arXiv:2505.21972v3 Announce Type: replace-cross Abstract: Given the challenge of automatically evaluating free-form outputs from large language models (LLMs), an increasingly common solution is to use LLMs themselves as the judging mechanism, without any gold-standard scores. Implicitly, this practice accounts for only sampling variability (aleatoric uncertainty) and ignores uncertainty about judge quality (epistemic uncertainty). While this is justified if judges are perfectly accurate, it is unclear when such an approach is theoretically valid and practically robust. We study these questions for the task of ranking LLM candidates from a novel geometric perspective: for $M$-level scoring systems, both LLM judges and candidates can be represented as points on an $(M-1)$-dimensional probability simplex, where geometric concepts (e.g., triangle areas) correspond to key ranking concepts. This perspective yields intuitive theoretical conditions and visual proofs for when rankings are identifiable; for instance, we provide a formal basis for the ``folk wisdom'' that LLM judges are more effective for two-level scoring ($M=2$) than multi-level scoring ($M>2$). Leveraging the simplex, we design geometric Bayesian priors that encode epistemic uncertainty about judge quality and vary the priors to conduct sensitivity analyses. Experiments on LLM benchmarks show that rankings based solely on LLM judges are robust in many but not all datasets, underscoring both their widespread success and the need for caution. Our Bayesian method achieves substantially higher coverage rates than existing procedures, highlighting the importance of modeling epistemic uncertainty.

arXiv:2604.01339v1 Announce Type: cross Abstract: Vision transformers (ViT) rely on attention mechanism to weigh input features, and therefore attention scores have naturally been considered as explanations for its decision-making process. However, attention scores are almost always non-zero, resulting in noisy and diffused attention maps and limiting interpretability. Can we quantify uncertainty measures of attention scores and obtain regularized attention scores? To this end, we consider attention scores of ViT in a statistical framework where independent noise would lead to insignificant yet non-zero scores. Leveraging statistical learning techniques, we introduce the bootstrapping for attention scores which generates a baseline distribution of attention scores by resampling input features. Such a bootstrap distribution is then used to estimate significances and posterior probabilities of attention scores. In natural and medical images, the proposed \emph{Attention Regularization} approach demonstrates a straightforward removal of spurious attention arising from noise, drastically improving shrinkage and sparsity. Quantitative evaluations are conducted using both simulation and real-world datasets. Our study highlights bootstrapping as a practical regularization tool when using attention scores as explanations for ViT. Code available: https://github.com/ncchung/AttentionRegularization

arXiv:2508.14285v3 Announce Type: replace-cross Abstract: Fine-tuning large language models (LLMs) with low-rank adaptation (LoRA) is a cost-effective way to incorporate information from a specific dataset. However, when a problem requires incorporating information from multiple datasets - as in few shot learning - generalization across datasets can be limited, driving up training costs. As a consequence, other approaches such as in-context learning are typically used in this setting. To address this challenge, we introduce an efficient method for adapting the weights of LLMs to multiple distributions, Amortized Bayesian Meta-Learning for LoRA (ABMLL). This method builds on amortized Bayesian meta-learning for smaller models, adapting this approach to LLMs by reframing where local and global variables are defined in LoRA and using a new hyperparameter to balance reconstruction accuracy and the fidelity of task-specific parameters to the global ones. ABMLL supports effective generalization across datasets and scales to large models such as Llama3-8B and Qwen2-7B, outperforming existing methods on the CrossFit and Unified-QA datasets in terms of both accuracy and expected calibration error. We show that meta-learning can also be combined with in-context learning, resulting in further improvements in both these datasets and legal and chemistry applications.

arXiv:2601.11016v2 Announce Type: replace-cross Abstract: In this paper, we introduce a framework for contextual distributionally robust optimization (DRO) that considers the causal and continuous structure of the underlying distribution by developing interpretable and tractable decision rules that prescribe decisions using covariates. We first introduce the causal Sinkhorn discrepancy (CSD), an entropy-regularized causal Wasserstein distance that encourages continuous transport plans while preserving the causal consistency. We then formulate a contextual DRO model with a CSD-based ambiguity set, termed Causal Sinkhorn DRO (Causal-SDRO), and derive its strong dual reformulation where the worst-case distribution is characterized as a mixture of Gibbs distributions. To solve the corresponding infinite-dimensional policy optimization, we propose the Soft Regression Forest (SRF) decision rule, which approximates optimal policies within arbitrary measurable function spaces. The SRF preserves the interpretability of classical decision trees while being fully parametric, differentiable, and Lipschitz smooth, enabling intrinsic interpretation from both global and local perspectives. To solve the Causal-SDRO with parametric decision rules, we develop an efficient stochastic compositional gradient algorithm that converges to an $\varepsilon$-stationary point at a rate of $O(\varepsilon^{-4})$, matching the convergence rate of standard stochastic gradient descent. Finally, we validate our method through numerical experiments on synthetic and real-world datasets, demonstrating its superior performance and interpretability.

arXiv:2603.02491v2 Announce Type: replace-cross Abstract: As artificial agents become increasingly capable, what internal structure is *necessary* for an agent to act competently under uncertainty? Classical results show that optimal control can be *implemented* using belief states or world models, but not that such representations are required. We prove quantitative "selection theorems" showing that strong task performance (low *average-case regret*) forces world models, belief-like memory and -- under task mixtures -- persistent variables resembling core primitives associated with emotion, along with informational modularity under block-structured tasks. Our results cover stochastic policies, partial observability, and evaluation under task distributions, without assuming optimality, determinism, or access to an explicit model. Technically, we reduce predictive modeling to binary "betting" decisions and show that regret bounds limit probability mass on suboptimal bets, enforcing the predictive distinctions needed to separate high-margin outcomes. In fully observed settings, this yields approximate recovery of the interventional transition kernel; under partial observability, it implies necessity of predictive state and belief-like memory, addressing an open question in prior world-model recovery work.

arXiv:2603.17717v2 Announce Type: replace-cross Abstract: Supervised detection of network attacks has always been a critical part of network intrusion detection systems (NIDS). Nowadays, in a pivotal time for artificial intelligence (AI), with even more sophisticated attacks that utilize advanced techniques, such as generative artificial intelligence (GenAI) and reinforcement learning, it has become a vital component if we wish to protect our personal data, which are scattered across the web. In this paper, we address two tasks, in the first unified multi-modal NIDS dataset, which incorporates flow-level data, packet payload information and temporal contextual features, from the reprocessed CIC-IDS-2017, CIC-IoT-2023, UNSW-NB15 and CIC-DDoS-2019, with the same feature space. In the first task we use machine learning (ML) algorithms, with stratified cross validation, in order to prevent network attacks, with stability and reliability. In the second task we use adversarial learning algorithms to generate synthetic data, compare them with the real ones and evaluate their fidelity, utility and privacy using the SDV framework, f-divergences, distinguishability and non-parametric statistical tests. The findings provide stable ML models for intrusion detection and generative models with high fidelity and utility, by combining the Synthetic Data Vault framework, the TRTS and TSTR tests, with non-parametric statistical tests and f-divergence measures.

arXiv:2603.28650v2 Announce Type: replace-cross Abstract: Can a safety gate permit unbounded beneficial self-modification while maintaining bounded cumulative risk? We formalize this question through dual conditions -- requiring sum delta_n 1, any classifier-based gate under overlapping safe/unsafe distributions satisfies TPR_n 0, escaping the impossibility. Formal Lipschitz bounds for pre-LayerNorm transformers under LoRA enable LLM-scale verification. The separation is strict. We validate on GPT-2 (d_LoRA = 147,456): conditional delta = 0 with TPR = 0.352. Comprehensive empirical validation is in the companion paper [D2].

arXiv:2603.29654v1 Announce Type: cross Abstract: Aligning human-interpretable concepts with the internal representations learned by modern machine learning systems remains a central challenge for interpretable AI. We introduce a geometric framework for comparing supervised human concepts with unsupervised intermediate representations extracted from foundation model embeddings. Motivated by the role of conceptual leaps in scientific discovery, we formalise the notion of concept frustration: a contradiction that arises when an unobserved concept induces relationships between known concepts that cannot be made consistent within an existing ontology. We develop task-aligned similarity measures that detect concept frustration between supervised concept-based models and unsupervised representations derived from foundation models, and show that the phenomenon is detectable in task-aligned geometry while conventional Euclidean comparisons fail. Under a linear-Gaussian generative model we derive a closed-form expression for Bayes-optimal concept-based classifier accuracy, decomposing predictive signal into known-known, known-unknown and unknown-unknown contributions and identifying analytically where frustration affects performance. Experiments on synthetic data and real language and vision tasks demonstrate that frustration can be detected in foundation model representations and that incorporating a frustrating concept into an interpretable model reorganises the geometry of learned concept representations, to better align human and machine reasoning. These results suggest a principled framework for diagnosing incomplete concept ontologies and aligning human and machine conceptual reasoning, with implications for the development and validation of safe interpretable AI for high-risk applications.

arXiv:2510.03638v4 Announce Type: replace-cross Abstract: Implicit models, an emerging model class, compute outputs by iterating a single parameter block to a fixed point. This architecture realizes an infinite-depth, weight-tied network that trains with constant memory, significantly reducing memory needs for the same level of performance compared to explicit models. While it is empirically known that these compact models can often match or even exceed the accuracy of larger explicit networks by allocating more test-time compute, the underlying mechanism remains poorly understood. We study this gap through a nonparametric analysis of expressive power. We provide a strict mathematical characterization, showing that a simple and regular implicit operator can, through iteration, progressively express more complex mappings. We prove that for a broad class of implicit models, this process lets the model's expressive power scale with test-time compute, ultimately matching a much richer function class. The theory is validated across four domains: image reconstruction, scientific computing, operations research, and LLM reasoning, demonstrating that as test-time iterations increase, the complexity of the learned mapping rises, while the solution quality simultaneously improves and stabilizes.

arXiv:2510.14582v2 Announce Type: replace-cross Abstract: Causal discovery methods can identify valid adjustment sets for causal effect estimation for a pair of target variables, even when the underlying causal graph is unknown. Global causal discovery methods focus on learning the whole causal graph and therefore enable the recovery of optimal adjustment sets, i.e., sets with the lowest asymptotic variance, but they quickly become computationally prohibitive as the number of variables grows. Local causal discovery methods offer a more scalable alternative by focusing on the local neighborhood of the target variables, but are restricted to statistically suboptimal adjustment sets. In this work, we propose Local Optimal Adjustments Discovery (LOAD), a sound and complete causal discovery approach that combines the computational efficiency of local methods with the statistical optimality of global methods. First, LOAD identifies the causal relation between the targets and tests if the causal effect is identifiable by using only local information. If it is identifiable, it finds the possible descendants of the treatment and infers the optimal adjustment set as the parents of the outcome in a modified forbidden projection. Otherwise, it returns the locally valid parent adjustment sets. In our experiments on synthetic and realistic data LOAD outperforms global methods in scalability, while providing more accurate effect estimation than local methods.

arXiv:2512.15987v2 Announce Type: replace-cross Abstract: It is widely believed that complex machine learning models generally encode features through linear representations. This is the foundational hypothesis behind a vast body of work on interpretability. A key challenge toward extracting interpretable features, however, is that they exist in superposition. In this work, we study the question of extracting features in superposition from a learning theoretic perspective. We start with the following fundamental setting: we are given query access to a function \[ f(x)=\sum_{i=1}^n \sigma_i(v_i^\top x), \] where each unit vector $v_i$ encodes a feature direction and $\sigma_i:\R\to\R$ is an arbitrary response function and our goal is to recover the $v_i$ and the function $f$. In learning-theoretic terms, superposition refers to the \emph{overcomplete regime}, when the number of features is larger than the underlying dimension (i.e. $n > d$), which has proven especially challenging for typical algorithmic approaches. Our main result is an efficient query algorithm that, from noisy oracle access to $f$, identifies all feature directions whose responses are non-degenerate and reconstructs the function $f$. Crucially, our algorithm works in a significantly more general setting than all related prior results. We allow for essentially arbitrary superpositions, only requiring that $v_i, v_j$ are not nearly identical for $i \neq j$, and allowing for general response functions $\sigma_i$. At a high level, our algorithm introduces an approach for searching in Fourier space by iteratively refining the search space to locate the hidden directions $v_i$.

arXiv:2603.22328v1 Announce Type: cross Abstract: Despite the strong predictive performance achieved by machine learning models across many application domains, assessing their trustworthiness through reliable estimates of predictive confidence remains a critical challenge. This issue arises in scenarios where the likelihood of error inferred from learned representations follows a bimodal distribution, resulting from the coexistence of confident and ambiguous predictions. Standard regression approaches often struggle to adequately express this predictive uncertainty, as they implicitly assume unimodal Gaussian noise, leading to mean-collapse behavior in such settings. Although Mixture Density Networks (MDNs) can represent different distributions, they suffer from severe optimization instability. We propose a family of distribution-aware loss functions integrating normalized RMSE with Wasserstein and Cram\'er distances. When applied to standard deep regression models, our approach recovers bimodal distributions without the volatility of mixture models. Validated across four experimental stages, our results show that the proposed Wasserstein loss establishes a new Pareto efficiency frontier: matching the stability of standard regression losses like MSE in unimodal tasks while reducing Jensen-Shannon Divergence by 45% on complex bimodal datasets. Our framework strictly dominates MDNs in both fidelity and robustness, offering a reliable tool for aleatoric uncertainty estimation in trustworthy AI systems.

arXiv:2603.22900v1 Announce Type: cross Abstract: Optimizing survival outcomes, such as patient survival or customer retention, is a critical objective in data-driven decision-making. Off-Policy Evaluation~(OPE) provides a powerful framework for assessing such decision-making policies using logged data alone, without the need for costly or risky online experiments in high-stakes applications. However, typical estimators are not designed to handle right-censored survival outcomes, as they ignore unobserved survival times beyond the censoring time, leading to systematic underestimation of the true policy performance. To address this issue, we propose a novel framework for OPE and Off-Policy Learning~(OPL) tailored for survival outcomes under censoring. Specifically, we introduce IPCW-IPS and IPCW-DR, which employ the Inverse Probability of Censoring Weighting technique to explicitly deal with censoring bias. We theoretically establish that our estimators are unbiased and that IPCW-DR achieves double robustness, ensuring consistency if either the propensity score or the outcome model is correct. Furthermore, we extend this framework to constrained OPL to optimize policy value under budget constraints. We demonstrate the effectiveness of our proposed methods through simulation studies and illustrate their practical impacts using public real-world data for both evaluation and learning tasks.