Proper quantification of predictive uncertainty is essential for the use of machine learning in safety-critical applications. V arious uncertainty measures have been proposed for this purpose, typically claiming superiority over other measures. In this paper, we argue that there is no single best measure. Instead, uncertainty quantification should be tailored to the specific application. To this end, we use a flexible family of uncertainty measures that distinguishes between total, aleatoric, and epistemic uncertainty of second-order distributions. These measures can be instantiated with specific loss functions, so-called proper scoring rules, to control their characteristics, and we show that different characteristics are useful for different tasks. In particular, we show that, for the task of selective prediction, the scoring rule should ideally match the task loss. On the other hand, for out-of-distribution detection, our results confirm that mutual information, a widely used measure of epistemic uncertainty, performs best. Furthermore, in an active learning setting, epistemic uncertainty based on zero-one loss is shown to consistently outperform other uncertainty measures.

Model selection is a pivotal process in the quantitative sciences, where researchers must navigate between numerous candidate models of varying complexity. Traditional information criteria, such as the corrected Akaike Information Criterion (AICc), Bayesian Information Criterion (BIC), and Mallows's $\mathit{C_p}$, are valuable tools for identifying optimal models. However, the exponential increase in candidate models with each additional model parameter renders the evaluation of these criteria for all models -- a strategy known as exhaustive, or brute-force, searches -- computationally prohibitive. Consequently, heuristic approaches like stepwise regression are commonly employed, albeit without guarantees of finding the globally-optimal model. In this study, we challenge the prevailing notion that non-monotonicity in information criteria precludes bounds on the search space. We introduce a simple but novel bound that enables the development of branch-and-bound algorithms tailored for these non-monotonic functions. We demonstrate that our approach guarantees identification of the optimal model(s) across diverse model classes, sizes, and applications, often with orders of magnitude computational speedups. For instance, in one previously-published model selection task involving $2^{32}$ (approximately 4 billion) candidate models, our method achieves a computational speedup exceeding 6,000. These findings have broad implications for the scalability and effectiveness of model selection in complex scientific domains.

Adaptive behavior in volatile environments requires agents to deploy different value-control regimes across latent contexts, but representing separate preferences, policy biases, and action confidence for every situation is intractable. We introduce value profiles: a small set of reusable bundles of value-related parameters--outcome preferences, policy priors, and policy precision--that are assigned to hidden states in the generative model. As posterior beliefs over states evolve trial-by-trial, effective control parameters emerge through belief-weighted mixing, enabling state-conditional strategy recruitment without maintaining independent parameters for each situation. We evaluate this framework in probabilistic reversal learning, comparing static precision, entropy-coupled dynamic precision, and profile-based models using cross-validated log-likelihood and information criteria. Model comparison using AIC favors the profile-based model over simpler alternatives ( 100-point differences), with consistent parameter recovery demonstrating structural identifiability even when context must be inferred from noisy observations. Model-based inference suggests that, in this task, adaptive control operates primarily through policy prior modulation rather than policy precision modulation, with gradual belief-driven profile recruitment confirming state-conditional rather than merely uncertainty-driven control. Overall, reusable value profiles provide a tractable computational account of belief-conditioned value control in volatile environments, providing a reusable, mode-like representational scheme for behavioral flexibility that yields testable signatures of belief-conditioned control.

Temporal-difference (TD) methods learn state and action values efficiently by bootstrapping from their own future value predictions, but such a self-bootstrapping mechanism is prone to bootstrapping bias, where the errors in the value targets accumulate across steps and result in biased value estimates. Recent work has proposed to use chunked critics, which estimate the value of short action sequences ("chunks") rather than individual actions, speeding up value backup. However, extracting policies from chunked critics is challenging: policies must output the entire action chunk open-loop, which can be sub-optimal for environments that require policy reactivity and also challenging to model especially when the chunk length grows. Our key insight is to decouple the chunk length of the critic from that of the policy, allowing the policy to operate over shorter action chunks. We propose a novel algorithm that achieves this by optimizing the policy against a distilled critic for partial action chunks, constructed by optimistically backing up from the original chunked critic to approximate the maximum value achievable when a partial action chunk is extended to a complete one. This design retains the benefits of multi-step value propagation while sidestepping both the open-loop sub-optimality and the difficulty of learning action chunking policies for long action chunks. We evaluate our method on challenging, long-horizon offline goal-conditioned tasks and show that it reliably outperforms prior methods. Code: github.com/ColinQiyangLi/dqc.

For four decades statistical physics has been providing a framework to analyse neural networks. A long-standing question remained on its capacity to tackle deep learning models capturing rich feature learning effects, thus going beyond the narrow networks or kernel methods analysed until now. We positively answer through the study of the supervised learning of a multi-layer perceptron. Importantly, (i) its width scales as the input dimension, making it more prone to feature learning than ultra wide networks, and more expressive than narrow ones or ones with fixed embedding layers; and (ii) we focus on the challenging interpolation regime where the number of trainable parameters and data are comparable, which forces the model to adapt to the task. We consider the matched teacher-student setting. Therefore, we provide the fundamental limits of learning random deep neural network targets and identify the sufficient statistics describing what is learnt by an optimally trained network as the data budget increases. A rich phenomenology emerges with various learning transitions. With enough data, optimal performance is attained through the model's "specialisation" towards the target, but it can be hard to reach for training algorithms which get attracted by sub-optimal solutions predicted by the theory. Specialisation occurs inhomogeneously across layers, propagating from shallow towards deep ones, but also across neurons in each layer. Furthermore, deeper targets are harder to learn. Despite its simplicity, the Bayes-optimal setting provides insights on how the depth, non-linearity and finite (proportional) width influence neural networks in the feature learning regime that are potentially relevant in much more general settings.

The property of learning-curve monotonicity, highlighted in a recent series of work by Loog, Mey and Viering, describes algorithms which only improve in average performance given more data, for any underlying data distribution within a given family. We establish the first nontrivial monotonicity guarantees for the maximum likelihood estimator in a variety of well-specified parametric settings. For sequential prediction with log loss, we show monotonicity (in fact complete monotonicity) of the forward KL divergence for Gaussian vectors with unknown covariance and either known or unknown mean, as well as for Gamma variables with unknown scale parameter. The Gaussian setting was explicitly highlighted as open in the aforementioned works, even in dimension 1. Finally we observe that for reverse KL divergence, a folklore trick yields monotonicity for very general exponential families. All results in this paper were derived by variants of GPT-5.2 Pro. Humans did not provide any proof strategies or intermediate arguments, but only prompted the model to continue developing additional results, and verified and transcribed its proofs.

Topology identification and inference of processes evolving over graphs arise in timely applications involving brain, transportation, financial, power, as well as social and information networks. This chapter provides an overview of graph topology identification and statistical inference methods for multidimensional relational data. Approaches for undirected links connecting graph nodes are outlined, going all the way from correlation metrics to covariance selection, and revealing ties with smooth signal priors. To account for directional (possibly causal) relations among nodal variables and address the limitations of linear time-invariant models in handling dynamic as well as nonlinear dependencies, a principled framework is surveyed to capture these complexities through judiciously selected kernels from a prescribed dictionary. Generalizations are also described via structural equations and vector autoregressions that can exploit attributes such as low rank, sparsity, acyclicity, and smoothness to model dynamic processes over possibly time-evolving topologies. It is argued that this approach supports both batch and online learning algorithms with convergence rate guarantees, is amenable to tensor (that is, multi-way array) formulations as well as decompositions that are well-suited for multidimensional network data, and can seamlessly leverage high-order statistical information.

ABSTRACT We develop a Markov decision process (MDP) framework to autonomously make guidance decisions for satellite collision avoidance maneuver (CAM) and a reinforcement learning policy gradient (RL-PG) algorithm to enable direct optimization of guidance policy using historic CAM data. In addition to maintaining acceptable collision risks, this approach seeks to minimize the average propellant consumption of CAMs by making early maneuver decisions. We model CAM as a continuous state, discrete action and finite horizon MDP, where the critical decision is determining when to initiate the maneuver. By deciding to maneuver earlier than conventional methods, the Markov policy effectively favors CAMs that achieve comparable rates of collision risk reduction while consuming less propellant. Using historical data of tracked conjunction events, we verify this framework and conduct an extensive parameter-sensitivity study. When evaluated on synthetic conjunction events, the trained policy consumes significantly less propellant overall and per maneuver in comparison to a conventional cut-off policy that initiates maneuvers 24 hours before the time of closest approach (TCA). On historical conjunction events, the trained policy consumes more propellant overall but consumes less propellant per maneuver. For both historical and synthetic conjunction events, the trained policy is slightly more conservative in identifying conjunctions events that warrant CAMs in comparison to cutoff policies.

Causal discovery methods have traditionally been developed under two distinct regimes: independent and identically distributed (i.i.d.) and timeseries data, each governed by separate modelling assumptions. In this paper, we argue that the i.i.d. setting can and should be reframed in terms of exchangeability, a strictly more general symmetry principle. We present the implications of this reframing, alongside two core arguments: (1) a conceptual argument, based on extending the dependency of experimental causal inference on exchangeability to causal discovery; and (2) an empirical argument, showing that many existing i.i.d. causal-discovery methods are predicated on exchangeability assumptions, and that the sole extensive widely-used real-world "i.i.d." benchmark (the Tübingen dataset) consists mainly of exchangeable (and not i.i.d.) examples. Building on this insight, we introduce a novel synthetic dataset that enforces only the exchangeability assumption, without imposing the stronger i.i.d. assumption. We show that our exchangeable synthetic dataset mirrors the statistical structure of the real-world "i.i.d." dataset more closely than all other i.i.d. synthetic datasets. Furthermore, we demonstrate the predictive capability of this dataset by proposing a neural-network-based causal-discovery algorithm trained exclusively on our synthetic dataset, and which performs similarly to other state-of-the-art i.i.d. methods on the real-world benchmark.

This article looks at how reasoning works in current Large Language Models (LLMs) that function using the token-completion method. It examines their stochastic nature and their similarity to human abductive reasoning. The argument is that these LLMs create text based on learned patterns rather than performing actual abductive reasoning. When their output seems abductive, this is largely because they are trained on human-generated texts that include reasoning structures. Examples are used to show how LLMs can produce plausible ideas, mimic commonsense reasoning, and give explanatory answers without being grounded in truth, semantics, verification, or understanding, and without performing any real abductive reasoning. This dual nature, where the models have a stochastic base but appear abductive in use, has important consequences for how LLMs are evaluated and applied. They can assist with generating ideas and supporting human thinking, but their outputs must be critically assessed because they cannot identify truth or verify their explanations. The article concludes by addressing five objections to these points, noting some limitations in the analysis, and offering an overall evaluation.