Machine Learning
The role of class encoding in neural collapse
Bastien Massion, Roy Makhlouf and Estelle Massart
Neural collapse is a structural property of the last-hidden-layer activations in neural network classification models, when trained beyond a zero classification error. In this work, we explore the role of label encoding in neural collapse by relying on the unrestricted feature model with mean squared error training loss. We demonstrate that, for one-hot encoded labels and balanced data, the uncentered mean features associated with each class transition from a simplex equiangular tight frame to an orthogonal frame when increasing the bias regularization coefficient associated with the final classifier. These structures are reminiscent of the orthogonal frame structure of one-hot encoded labels. For any arbitrary encoding, we also show that the final classifier's bias aims at centering the labels, compensating for the discrepancy between the global mean of the labels and the origin. We further discuss the role of the encoding in other neural collapse properties.
Read the full abstract ▾
Machine Learning
PE-means: Improved Differentially Private $k$-means Clustering through Private Evolution
Thomas Humphries, Zinan Lin and Sergey Yekhanin
We study the problem of differentially private (DP) $k$-means clustering in Euclidean space. Previous solutions rely on summing the private data directly, which induces a sensitivity proportional to the domain. We introduce PE-means, an extension of the private
evolution (PE)
algorithm (an increasingly popular method for synthetic data generation), to the problem of $k$-means clustering. The key advantage of PE is that it only computes a private histogram with constant sensitivity to guide the
evolution. Our adaptation of PE includes new evolutionary operators for clustering, as well as other algorithmic improvements of independent interest. Overall, PE-means achieves an average improvement of 26% in clustering loss over state-of-the-art baselines such as Google's LSH-based
algorithm and DP-Lloyd variants.
Read the full abstract ▾
Machine Learning
ROGUE: Evaluating Corrigibility Failures in Frontier Computer-Use Agents
Jeremy Tien, Abishek Anand, Yu-Rou Tuan et al. (+3 more)
As AI
agents are increasingly deployed in real personal and corporate settings (email accounts, development workflows, company databases, etc.), safety considerations surrounding these
agents become paramount. Although much work has focused on
agent safety in the presence of an adversary, we study corrigibility: whether
agents remain amenable to human correction, interruption, or shutdown while pursuing benign tasks. We introduce ROGUE, a
benchmark in which
agents are asked to complete realistic computer-use tasks but encounter controlled conflicts with human control, shutdown, or explicit resource restrictions. We then evaluate whether
agents violate these constraints in pursuit of task completion: overriding the human, accessing restricted passwords, or rewiring shutdown. We find that most frontier models tested frequently bypass user interruptions or restrictions under the evaluated conditions, and that text-only evaluations can underestimate failures during agentic execution. Further, independent task capability does not by itself imply greater corrigibility. Finally, even when a parent
agent behaves corrigibly, safety constraints may fail to propagate to the subagents it creates.
Read the full abstract ▾
All authors Jeremy Tien, Abishek Anand, Yu-Rou Tuan, Yuchen Shen, J. Zico Kolter, Aran Nayebi
Machine Learning
Balancing Learning Rates Across Layers: Exact Two-Step Dynamics and Optimal Scaling in Linear Neural Networks
Tianyu Pang, Vignesh Kothapalli, Shenyang Deng et al. (+3 more)
We study optimal learning-rate selection in two-layer and three-layer linear neural networks trained to learn linear target functions. In particular, we derive the exact closed-form expressions for the gradients and test loss after one and two steps of gradient descent, enabling a precise characterization of early training dynamics. We characterize how learning rates should scale under the gradient approximation in the first two steps, and prove that performing updates with this approximation yields a tractable surrogate loss with a tight, small approximation error. This formulation enables the theoretical analysis of layer-wise learning rates and reveals a distinct early-training regime: test loss can be minimized by unequal learning rates at the initial step, while equal learning rates become optimal in subsequent steps. Our numerical experiments validate the theory and demonstrate the importance of balancing layer-wise learning rates early during training. The code is available at: https://github.com/TDCSZ327/Layer-Balancing.
Read the full abstract ▾
All authors Tianyu Pang, Vignesh Kothapalli, Shenyang Deng, Haohui Wang, Dawei Zhou, Yaoqing Yang
Machine Learning
CHAM-net: A Contrastive Hierarchical Adaptive Meta-network for Robust Global Methane Flux Prediction
Rongchao Dong, Yiming Sun, Shuo Chen et al. (+4 more)
Methane is a potent greenhouse gas that significantly contributes to global warming. However, accurately estimating global methane emissions and consumption remains challenging due to the complex interactions among environmental drivers that may vary across spatial and temporal scales. Prior data-driven methods often overlook the inherent spatiotemporal heterogeneity of ecosystems, failing to explicitly capture site-specific characteristics and cross-year evolutionary dynamics. To address these issues, we propose the Contrastive Hierarchical Adaptive Meta-network (CHAM-net), a novel framework that explicitly learns from historical context to capture site-specific dynamics. CHAM-net employs a hierarchical encoder-decoder architecture, in which the encoder captures site-specific characteristics from historical data and then dynamically conditions the decoder to generate the final prediction. Experimental results demonstrate that CHAM-net consistently outperforms all baseline methods on both simulation and observational
datasets for methane emission and consumption, achieving nRMSE values as low as 0.43 and 0.88 with corresponding R2 scores up to 0.97 and 0.68 for emission prediction.
Read the full abstract ▾
All authors Rongchao Dong, Yiming Sun, Shuo Chen, Youmi Oh, Licheng Liu, Yiqun Xie, Xiaowei Jia
Machine Learning · Cross-listed from cs.AI
From Noise to Control: Parameterized Diffusion Policies
Renhao Zhang, Haotian Fu, Mingxi Jia et al. (+3 more)
We propose Parameterized
Diffusion Policy (PDP), a framework for learning
diffusion policies conditioned on low-dimensional, continuous parameters embedded in a learned behavior
manifold. By constructing this
manifold so that distances between latent representations reflect the semantic similarity between physical trajectories, we transform
diffusion from a mechanism for
stochastic diversity into a precise and optimizable tool for behavior steering. Our approach enables smooth interpolation between known strategies and efficient adaptation to novel constraints without updating policy weights. We demonstrate that PDP significantly improves adaptation performance on complex
multimodal benchmarks in both simulated and real-
robot experiments compared to standard
diffusion policies, particularly in scenarios requiring the synthesis of novel behaviors.
Read the full abstract ▾
All authors Renhao Zhang, Haotian Fu, Mingxi Jia, George Konidaris, Yilun Du, Bruno Castro da Silva
Machine Learning · Cross-listed from eess.SY
Benchmarking Recursive-Collapse Warning Claims Under Matched False-Positive Control
David Mullett
Recursive systems can enter collapse-like regimes – self-reinforcing amplification, persistent recursion, and narrowing diversity that mask accelerating internal degradation – before overt failure becomes visible. We introduce Loopzero, a claim-bounded
benchmark framework for testing whether recursive failures follow a directional telemetry pattern: rising gain (G), recursive persistence (p), and declining diversity ($\delta$). The claim boundary is specified in Lean; the Lean artifact does not verify real telemetry,
benchmark validity, or detector performance. We evaluate the bridge on two frozen public-artifact
benchmarks: a segmented public-
markets benchmark (Volmageddon 2018, COVID MWCB 2020) and a MovieLens-25M offline deterministic recommender replay. Detectors are evaluated under a locked equal-false-positive contract (FP $\in$ [0.03, 0.07], pre-registered) so all configurations face the same alert budget. Neither tested standard comparators nor Loopzero's pre-registered
quantile detector achieved an accepted operating point. Directional witness
alignment held on both canonical
benchmarks, with adjacent-horizon and row-level limitations disclosed. Digitized Shumailov et al. (2024) LLM training-loop trajectories are directionally consistent with the pattern; matched-FP evaluation in that domain is deferred. The contribution is a reproducible, falsifiable
benchmark framework for evaluating recursive-collapse warning claims under an explicit alert-budget contract – non-acceptance reported as a first-class scientific outcome.
Read the full abstract ▾
Machine Learning
KG-Guard: Graph-Based Hallucination Detection for Knowledge Base Question Answering
Albert Sawczyn, Piotr Bielak and Tomasz Kajdanowicz
Large
language models (LLMs) are increasingly used for knowledge base question answering (KBQA), where answering requires selecting entities from a question-specific knowledge-graph subgraph. Yet LLMs are known to hallucinate across tasks, and KBQA is no exception: even when we provide a graph as the knowledge source, the model may rely on parametric knowledge instead of graph evidence or perform invalid
reasoning over the given relations. Such hallucinated answer nodes can limit the practical deployment of KBQA systems, especially in high-stakes domains such as healthcare. We formulate
hallucination detection in KBQA as an answer-node classification problem and propose a lightweight graph-based framework that treats the answering LLM as a black box. \methodname represents each KBQA instance as an augmented graph. It initializes node features with semantic representations of KG entities, marks topic entities and LLM-proposed answer nodes with learned vectors, and connect a virtual question node to the topic entities. A graph encoder then produces verification-oriented node representations, and a small MLP classifies each proposed answer node using its graph representation together with the question
embedding. Experiments on WebQSP, ComplexWebQuestions, and PUGG show that our detector achieves the highest F1 on all three
benchmarks ($82.0$, $87.4$, and $84.3$), outperforming LLM-as-judge and sampling-based baselines, while having $\sim305\times$ fewer parameters than the reference approaches. Beyond detection, the node-level feedback is actionable: when flagged answers are fed back to the KBQA system for iterative refinement, downstream KBQA F1 improves by $13.0$–$14.5$ points and Exact Match by $16.9$–$17.6$ points.
Read the full abstract ▾
Machine Learning · Cross-listed from stat.ME
Cluster Analysis with Resampling for Validation and Exploration (CARVE)
Kai R. Wycik, Tiffany M. Tang, Tarek M. Zikry et al. (+1 more)
Clustering is widely used across the sciences as the foundation for downstream data-driven scientific discoveries. However, clustering results are highly sensitive to the choice of
algorithm, preprocessing, and the number of clusters $k$, producing scientific claims that are often not reproducible. The current state of the art for validating clustering solutions consists of clustering validation indices (CVIs) such as Silhouette, Davies-Bouldin, and Calinski-Harabasz, which rely on
geometric assumptions that break down on the heavy-tailed, high-dimensional, and nonlinearly structured data encountered in biomedical research. Resampling-based alternatives - grounded in the ideas of clustering stability and generalizability - have been proposed but remain scattered across specialized tools with no unified, accessible software. We fill this gap with CARVE (Cluster Analysis with Resampling for Validation and Exploration), an open-source Python and R package that jointly evaluates multiple clustering
algorithms and hyperparameters, returning stability and generalizability diagnostics at the global, cluster, and sample level together with principled selection rules and consensus-based cluster labels. Across six synthetic
benchmarks CARVE consistently recovers near-optimal clusterings where classical indices degrade substantially. On experimental genomics and proteomics data sets, CARVE recovers finer biological structure when classical CVIs collapse entirely. CARVE is available with a scikit-learn-compatible Python API and an analogous R interface compatible with Seurat workflows.
Read the full abstract ▾
All authors Kai R. Wycik, Tiffany M. Tang, Tarek M. Zikry, Genevera I. Allen
Machine Learning
Perturbative methods for non-parametric instrumental variable
Wei Bu and Arthur Gretton
We introduce a perturbative approach for nonparametric instrumental variable (NPIV) estimation. By drawing inspiration from perturbation theory in physics, we extend standard kernel ridge methods with systematic higher perturbation order corrections that significantly improve estimation accuracy. Spectrally, the perturbation introduces mixing between different eigenmodes of the expectation integral operator, which becomes especially useful when the integral equation is ill-defined. One source for such ill-definedness can be the curse of dimensionality. Our method performs across various dimensionality regimes, particularly when the dimensionality parameter $\beta$ which is defined through the number of samples $n$ and dimension $d$ as $n^\beta = d$, becomes large. Experimental results show that our first-order perturbative corrections can reduce prediction error by up to 99% in high-dimensional ill-defined cases ($\beta > 0.7$) compared to standard ridge regression approaches. The performance improvement is maintained across a wide range of dimensions, with the advantage becoming more pronounced as dimensionality increases.
Read the full abstract ▾
Machine Learning
Adversarially Robust Control of Conditional Value-at-Risk via Rockafellar-Uryasev Conformal Inference
Catherine Chen, Jingyan Shen, Zhun Deng et al. (+1 more)
We present an online, distribution-free framework for controlling the Conditional Value-at-Risk (CVaR), extending conformal tail risk control to non-stationary and
adversarial environments. Unlike classical risk control methods, which rely on stationarity or linearity of expectation, our approach provides provable safety guarantees for a nonlinear tail risk functional under arbitrary data-generating processes that may drift or shift strategically over time. By leveraging deep connections between conformal tail risk control, online learning, and the variational representation of CVaR introduced by Rockafellar and Uryasev, we develop a novel procedure for online CVaR control with
adversarial regret guarantees. The proposed method operates without assumptions on the underlying data-generating process, making it broadly applicable in modern high-stakes deployment settings. We prove that the realized empirical CVaR is asymptotically controlled at the target level, and that the resulting control is asymptotically tight up to a finite-sample conservatism gap. We demonstrate the effectiveness of our approach on portfolio risk management and toxicity mitigation for Large
Language Models (LLMs), where rare but catastrophic failures dominate system risk.
Read the full abstract ▾
All authors Catherine Chen, Jingyan Shen, Zhun Deng, Lihua Lei
Machine Learning · Cross-listed from math.NA
Stochastic Rounding Increases Small Singular Values
Linkai Ma, Tingzhou Yu and Petros Drineas
Over the past half-dozen years,
stochastic rounding (SR) has regained significant
attention as a quantization scheme for low-precision floating-point arithmetic, with applications spanning numerical analysis and modern machine learning systems. Recent work has shown that SR acts as an implicit regularizer by increasing the smallest singular value of extremely tall-and-thin (or, symmetrically, short-and-fat)
matrices. In this work, we substantially sharpen and extend this understanding in two directions. First, we show that the regularization effect of SR is not restricted to extreme aspect ratio regimes: it persists for
matrices with constant aspect ratio. Second, we demonstrate that SR does not merely regularize the smallest singular value, but instead lifts entire clusters of singular values at the tail of the spectrum. Together, these results provide a more general characterization of
stochastic rounding as a spectral regularizer, revealing that its effects extend beyond extremal aspect ratios and act on a broader portion of the singular value spectrum.
Read the full abstract ▾
Machine Learning
Large-scale Uncertainty Quantification for Latent Variable Models Using Subsampling Markov Chain Monte Carlo
Xiaoyu Wang and Jonathan H. Huggins
Stochastic gradient Langevin dynamics combined with Gibbs updates (SGLD–Gibbs) provides a highly scalable approach to approximate
Bayesian inference in latent variable models. However, it remains unclear how to tune the
algorithm's hyperparameters in a principled manner to ensure the uncertainty estimates are statistically meaningful. In this work, we address this gap in tuning guidance by developing a statistical scaling limit theory for SGLD–Gibbs. We derive a joint asymptotic limit for the global parameters and latent variables under appropriate space-time rescaling. We show that global parameters converge to a
diffusion-type limit, while each latent variable converges to a jump process, reflecting the use of intermittent Gibbs updates. This joint jump-
diffusion structure reveals how latent-variable randomness contributes to the stationary distribution of the global parameters. We leverage our results to propose explicit guidance on hyperparameter tuning for SGLD–Gibbs that ensures meaningful uncertainty quantification. Numerical experiments show that SGLD–Gibbs with our tuning guidance leads to better parameter estimates, uncertainty quantification, and predictive performance than
stochastic variational inference.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.SE
How Generation Architecture Shapes Code Complexity in Multi-Agent LLM Systems: A Paired Study on HumanEval
Nazmus Ashrafi
Large-
language-model code generation has shifted from single-shot prompting to multi-
agent orchestrations - analyst, coder, tester, and debugger pipelines - and is evaluated almost exclusively on functional correctness. Whether these architectures also affect the structural complexity of the code they produce, and which orchestration layers carry the cost, remains largely unexamined: prior work has documented
prompt-level effects on code complexity, but the architecture-level question is open. We compare six widely-used multi-
agent configurations (Basic, AC, ACT, Debugger, AC+Debugger, ACT+Debugger) under two models from the GPT-4o family across all 164 HumanEval tasks - 1,968 paired observations - using the five RADON complexity metrics (SLOC, cyclomatic complexity, and Halstead Volume, Difficulty, and Effort). We apply a paired non-parametric statistical pipeline (Friedman omnibus, Wilcoxon signed-rank post-hoc with Holm correction, Kendall's $W$ and matched-pairs rank-biserial effect sizes) in both all-completions and passing-only conditions. The six architectures collapse into two indistinguishable complexity clusters separated by a 50-130% gap, the same partition in both models and under both conditions; among the architectural layers, the analyst-coder split inflates complexity, the runtime debugger does not - and on the analyst-coder background actively deflates it - and the tester re-inflates it. The heavy cluster's additional complexity buys no pass@1 advantage: the leanest architectures match or beat the heaviest on accuracy. Architectural elaboration in LLM code generation should therefore be justified by measured benefit on the dimensions that matter, not assumed.
Read the full abstract ▾
Machine Learning
Rethinking the Role of Temperature in Large Language Model Distillation
Hoang-Chau Luong and Lingwei Chen
Reverse Kullback-Leibler (RKL) divergence is widely favored over forward KL (FKL) in large
language models (LLM)
distillation, yet this preference is largely based on comparisons that omit the temperature $\tau$, overlooking its central role in softening teacher distributions and improving knowledge transfer. In this work, we revisit temperature in LLM
distillation and show that it fundamentally changes the comparison between FKL and RKL. Our analysis reveals an asymmetric effect: temperature substantially enriches FKL with non-dominant
token signals, whereas it mainly rescales RKL gradients, causing FKL to benefit much more from $\tau$ scaling than RKL. This asymmetry overturns the standard empirical conclusion: although RKL outperforms FKL at $\tau=1$, FKL consistently surpasses RKL at higher temperatures across instruction-following
benchmarks. Moreover, the impact of temperature is not limited to FKL; it improves a broader family of
distillation objectives, enabling simple KL-based methods to achieve competitive performance against recent state-of-the-art LLM
distillation approaches.
Read the full abstract ▾
Machine Learning
Modeling Spectral Energy Shifts in Spatio-Temporal Graph Anomaly Detection
Yilin Liu, Hongchao Zhang, Taylor T. Johnson et al. (+2 more)
Graph anomaly detection methods aim to distinguish anomalous nodes. While prior methods characterize anomalies through increased variation in the spectral energy distributions, they overlook those that result in decreased variation, i.e., camouflaged anomalies that appear normal. We show that this type of anomaly persists across multiple
datasets and remains undetectable by existing spectral approaches. To address this limitation, we propose a node-level spectral energy formulation that is fully compatible with message passing and enables the detection of camouflaged anomalies. Building on this formulation, we introduce an energy-aware graph learning framework that models spectral shifts through energy-driven message passing in both static and time-series graphs. Besides, our unified architecture extends to temporal settings without introducing specialized sequence modules, enabling efficient learning under long sliding windows. Extensive experiments on large-scale
benchmarks demonstrate the effectiveness and scalability of our approach.
Read the full abstract ▾
All authors Yilin Liu, Hongchao Zhang, Taylor T. Johnson, Ahmad F. Taha, Meiyi Ma
Machine Learning · Cross-listed from stat.ML
ERICA: Quantifying Replicability of Cluster Analysis
Siamak K. Sorooshyari, Manuel A. Rivas and Robert Tibshirani
Despite being ubiquitous in science, clustering lacks a unified framework for quantitatively evaluating the replicability of its results. We present evaluating replicability via iterative clustering assignments (ERICA), a method for determining whether clusters can be identified reproducibly in a
dataset. The pipeline computes a statistic that determines whether reproducible cluster structure is present in a
dataset. Quantitative visualization methods are also introduced to characterize similarities between clusters and identify observations that may represent outliers or unstable assignments. Experiments on synthetic
datasets demonstrate that ERICA successfully identifies reproducible cluster structure. In contrast, application of ERICA to three breast cancer gene-expression
datasets reveals instances in which clustering solutions are not reproducible. The study underscores the importance of rigorously evaluating clustering solutions and provides a practical framework for doing so.
Read the full abstract ▾
Machine Learning
FLaG: Fine-Grained Latent Grouping for Hallucination Detection
Wentao Ye, Liyao Li, Zhiqing Xiao et al. (+6 more)
Hallucinations in large
language models (LLMs) arise from heterogeneous failure mechanisms, making reliable detection difficult for any single global uncertainty score. In this work, we formulate
hallucination detection as a mechanism-aware evidence aggregation problem, where diverse representation- and
token-level signals must be interpreted under multiple latent explanations. We propose FLaG, a lightweight
hallucination detection framework that models correctness through a set of latent evidence groups. Each instance is softly associated with multiple groups via an energy-based routing mechanism, and group-conditional reliability signals are combined through a principled log-marginal aggregation. This design enables FLaG to capture heterogeneous
hallucination patterns while remaining invariant to decision thresholds and evaluation metrics. The framework operates as a frozen-model head, requires no modification to the underlying
language model, and incurs minimal computational overhead. We further provide a theoretical perspective that connects FLaG to optimal evidence aggregation under heterogeneous error mechanisms, showing that the Bayes-optimal test statistic necessarily admits a log-marginal form and that FLaG constitutes a tractable approximation with a controllable error bound. Extensive experiments across multiple
benchmarks and LLM backbones demonstrate that FLaG consistently achieves SOTA performance, while exhibiting robust transfer across
datasets and models, and remaining effective under limited supervision.
Read the full abstract ▾
All authors Wentao Ye, Liyao Li, Zhiqing Xiao, Muzhi Zhu, Jiaqi Hu, Zhanming Shen, Xiaomeng Hu, Sean Du, Haobo Wang
Machine Learning · Cross-listed from math.NA
Symmetric Hermite quadrature-based balanced truncation for learning linear dynamical systems from derivative data
Sean Reiter and Steffen W. R. Werner
Data-driven reduced-order modeling is an essential component in the computer-aided design of control systems. In this work, we present a novel symmetric Hermite formulation of the quadrature-based balanced truncation
algorithm that constructs linear reduced-order models from evaluations of the full-order system's transfer function and its derivative. Significantly, the Hermite formulation preserves desirable qualitative properties of the system used to generate the data, such as state-space Hermiticity and, consequently, asymptotic stability.
Read the full abstract ▾
Machine Learning · Cross-listed from stat.ML
Is Zero-Shot Super-Resolution Possible in Operator Learning?
Unique Subedi and Ambuj Tewari
Neural operators are often reported to exhibit zero-shot super-resolution, a phenomenon in which a model trained on coarse grids produces accurate predictions on finer testing grids without additional retraining. Despite strong empirical evidence, the theoretical foundations of this phenomenon remain unclear. In this work, we provide a systematic theoretical study of zero-shot super-resolution in operator learning. We first show that zero-shot super-resolution can be information-theoretically impossible even in benign settings such as when the input functions are available over the entire continuum and the ground truth is a simple rank-one linear operator. We then identify Hölder smoothness of the output functions as a sufficient condition for zero-shot super-resolution and derive corresponding generalization bounds. Finally, we also validate the identified failure modes through experimental results.
Read the full abstract ▾
Machine Learning
Adaptive Order Policies for Masked Diffusion
Jama Hussein Mohamud, Mohsin Hasan, Mirco Ravanelli et al. (+1 more)
Masked
diffusion models have seen great success in capturing data distributions over discrete sequences in domains such as text and
proteins. These models generate data by iteratively unmasking
tokens starting from a fully masked sequence, with the unmasking order typically chosen at random or using a heuristic based on denoiser probabilities. In this work, we propose a scheme for learning the unmasking order using an additional lightweight policy network on top of a
diffusion model. Our proposed loss reweights terms in the masked
diffusion loss according to policy probabilities, and results in a policy that prefers positions where the denoiser is more likely to be correct. We study this loss in two settings: (i) training solely the policy while using a frozen pre-trained denoiser, and (ii) training the policy and denoiser jointly with the weighted loss to allow for mutual adaptation. We demonstrate that our approach outperforms common heuristics on problems that are sensitive to
token ordering, such as combinatorial problems,
proteins as well as various coding and
language tasks.
Read the full abstract ▾
All authors Jama Hussein Mohamud, Mohsin Hasan, Mirco Ravanelli, Yoshua Bengio
Machine Learning
Accurate Large-sample Uncertainty Quantification using Stochastic Gradient Markov Chain Monte Carlo
Yu Wang, Jie Ding and Jonathan H. Huggins
Tuning
algorithms such as
stochastic gradient descent (SGD) and
stochastic gradient Langevin dynamics (SGLD) for approximate sampling and uncertainty quantification remains challenging, particularly in the practically relevant settings when the batch size is large or the model is misspecified. Existing theory that provides tuning guidance relies on continuous-time limits or strong statistical assumptions, which can become quantitatively inaccurate in these regimes. We address these shortcomings by proposing new discrete-time approximations to SG(L)D with and without momentum, which enables accurate predictions of the stationary covariance, iterate average covariance, and integrated autocorrelation time. Moreover, we prove quantitative, non-asymptotic error bounds showing that these estimates are sufficiently accurate for practical tuning and uncertainty quantification. Numerical experiments demonstrate that our theory yields improved tuning guidance across a range of models and data-generating distributions where existing approaches fail, including when using the $\beta$-divergence rather than log-loss to obtain statistically robust inferences.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.GT
The Representation-Rationalizability Tradeoff in Reward Learning
Jing Dong, Yaoliang Yu and Pascal Pourpart
In RLHF, each training example contains a
prompt $x$ and two candidate responses $y,y'$, and annotators provide pairwise preferences between these responses. The learning problem is to convert these heterogeneous pairwise judgments into a single scalar reward $r(x,y)$ that measures response quality for each
prompt. Classical social choice implies an impossibility because heterogeneous annotator samples can induce pooled preferences with Condorcet cycles, so no scalar reward can evaluate all compared response pairs consistently. A growing literature analyzes RLHF as a social-choice problem, but usually assumes a fixed finite set of alternatives, i.e., a pre-enumerated finite set of candidate responses for each
prompt. Modern pipelines instead score responses through a learned representation $\phi(x,y)$ before a scalar head, so $\phi$ determines which responses are treated as distinguishable alternatives and which comparisons are visible to the reward model. Once this
embedding is part of the problem, the impossibility results from social choice theory become a tradeoff. We show that the excess cross-
entropy loss of any reward built on $\phi$ decomposes exactly into a representational term, which a richer $\phi$ shrinks, and an aggregation term, which a richer $\phi$ enlarges by exposing more comparisons that no scalar can rank consistently. The same results extend to direct preference optimization (DPO), and jointly training the
embedding and the reward cannot guarantee to recover the sweet spot of this tradeoff. Experiments on synthetic data and real preference
datasets corroborate our results.
Read the full abstract ▾
Machine Learning
Inner Product Aware Quantization: Provably Fast, Accurate, and Adaptive Algorithms
Nathan White and Krish Singal
Quantization is a fundamental tool used to compress
datasets, neural network weights, and
memory usage in a range of computational tasks. Many downstream applications of vector quantization perform inner products with arbitrary inputs. This motivates the study of inner product aware quantization schemes that approximately preserve inner products with unseen vectors – in contrast to simply minimizing the mean-squared error. In this work, we formulate objectives that capture natural desiderata and develop adaptive and unbiased quantization methods that approximately preserve inner products with worst-case and average-case inputs. An analysis of these objectives shows a tight connection with the well-studied notion of Adaptive
Stochastic Quantization (ASQ). We develop provably fast exact and approximate
algorithms for our objectives. Our theoretical results inspire efficient practical
algorithms that perform well across a variety of workload distributions. They also lead to practical
algorithms for standard ASQ which are 2-10$\times$ faster than prior state-of-the-art methods while maintaining quality. These theoretical and empirical results contribute towards making adaptive quantization techniques more efficient and tractable in practical settings.
Read the full abstract ▾
Machine Learning · Cross-listed from physics.ao-ph
Flow Matching for Convective-Scale Precipitation Downscaling
Tom Wetherell
Generative machine learning is an increasingly important complement to dynamical downscaling for producing high-resolution precipitation projections, with
diffusion models currently the leading approach. Flow matching is a related generative framework that has recently achieved strong results across image,
video and other domains, and shown early promise for downscaling. We train a flow matching model to map daily precipitation from 8 km to 2 km over a convective-scale domain centred on Singapore, and
benchmark it against CPMGEM, a score-based
diffusion model. Flow matching achieves consistently better spatial skill: higher fractions skill score at every precipitation threshold and neighbourhood scale tested, and tighter structure and amplitude components of the SAL score with comparable location skill. However, flow matching underestimates the upper tail of the precipitation distribution, resulting in a dry bias in the climatological mean. These results suggest that flow matching is a competitive generative framework for convective-scale precipitation downscaling, particularly well suited to capturing spatial structure.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.CR
Bit-Exact AI Inference Verification Without Performance Tradeoffs
Naci Cankaya
Verifying claims about AI workloads is a prerequisite for credible AI governance of covert adversaries (who comply with monitoring only when detection likelihood is high), yet the apparent non-determinism of GPU floating-point arithmetic forces auditors to accept approximate output matches. Covert adversaries can exploit unverifiable degrees of freedom in monitored computation. Attack vectors include steganography, unreported modification of inference software, and covert computation via unreported batch elements. Empirically, we analyze how modern inference engines (vLLM, HF
transformers) produce deterministic but non-invariant outputs, without needing to set performance-compromising determinism flags, if the right information is available for re-computation and no atomic functions are called in the backend. We demonstrate that such bitwise-precise re-computation does not require access to identical hardware, via a software-only emulation of LLM inference across multiple NVIDIA GPU variants. Thus, accumulated rounding errors can be an auditable signature of the software and hardware setup used for inference, instead of a constraint on verifiability.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.AI
Robust Shielding for Safe Reinforcement Learning
Edwin Hamel-De le Court, Thom Badings, Alessandro Abate et al. (+2 more)
Shielding is an effective approach to formally guarantee the safety of reinforcement learning
agents in Markov decision processes (MDPs). However, existing shielding techniques typically assume knowledge of the safety-relevant transition dynamics - a requirement that is seldom met in practice. To address this limitation, we introduce a novel shielding framework for robust MDPs (RMDPs), i.e., MDPs with sets of transition probabilities. We define safety as the satisfaction of a linear temporal logic (LTL) formula with a certain threshold probability under the worst-case transition probabilities of the RMDP. We prove that our shielding framework is both sound and optimal for the RMDP: every policy admissible by the shield is safe, and conversely, every safe RMDP policy is admissible by the shield. We combine our approach with existing sampling methods for learning transition probabilities of MDPs with probably approximately correct (PAC) guarantees. This combination enables the construction of shields for MDPs that, with high confidence, guarantee safety while remaining minimally restrictive. Our experiments show that our shields for learned RMDPs guarantee safety in unknown MDPs while recovering strong expected return as the number of samples increases.
Read the full abstract ▾
All authors Edwin Hamel-De le Court, Thom Badings, Alessandro Abate, Francesco Belardinelli, Francesco Fabiano
Machine Learning · Cross-listed from cs.CV
StressDream: Steering Video World Models for Robust Policy Evaluation and Improvement
Junwon Seo, Sushant Veer, Ran Tian et al. (+6 more)
Video world models (WMs) have shown promise for policy evaluation and improvement by imagining realistic future observations conditioned on ego-
robot actions. While WMs can model distributions over futures, policy evaluation and improvement typically rely on nominal imaginations, which can miss high-impact outcomes of
robot actions unless prohibitively many samples are drawn. To enable robust policy evaluation and improvement over WM imaginations, we propose StressDream, which steers imaginations toward high-impact yet plausible outcomes specified at inference time by optimizing the initial noise of
diffusion-based WMs. However, optimizing high-dimensional noise is challenging: the optimization must reason about nuanced, scene-dependent target events in generated
videos while avoiding out-of-distribution (OOD) noise that yields implausible imaginations. We address this with two complementary objectives: a semantic objective with a
Vision-
Language Model that provides informative gradients by
reasoning about the generated
video, and a plausibility objective that prevents the optimized noise from drifting OOD. With state-of-the-art
video world models for autonomous driving and robotic manipulation, we show that StressDream effectively steers imaginations toward high-impact yet plausible outcomes specified by text at inference time, such as task failures, enabling robust policy evaluation and improvement by identifying actions whose plausible futures include undesirable outcomes.
Video results are available at https://stressdream.github.io/.
Read the full abstract ▾
All authors Junwon Seo, Sushant Veer, Ran Tian, Wenhao Ding, Apoorva Sharma, Karen Leung, Edward Schmerling, Marco Pavone, Andrea Bajcsy
Machine Learning · Cross-listed from cs.NI
KISS: Keeping it Simple and Slotted when Learning to Communicate over Wireless
Kamil Szczech, Maksymilian Wojnar, Krzysztof Rusek et al. (+2 more)
A long-standing challenge in distributed wireless systems is ensuring efficient and fair random channel access. Existing solutions often address specific constraints related to timing, periodicity, or centralization, but they typically rely on fixed heuristics. Motivated by recent advances in machine learning (ML), we investigate whether ML
agents can autonomously learn efficient and fair access strategies, and whether such learning can offer new insights into medium access control (MAC) design. Rather than proposing a deployable protocol, our aim is to examine whether decentralized learning can rediscover or approximate theoretically efficient random-access mechanisms under minimal assumptions. To this end, we deploy an off-policy Double Deep Q-Network (DDQN) with
Bayesian inference to train
agents operating over a slotted channel. The resulting method is fully online (no pre-training), fully distributed (independent multi-
agent learners),
stochastic (non-periodic), and requires no coordination or explicit communication. Extensive simulations show that the learned strategy adapts to varying network conditions and achieves near-theoretical efficiency while maintaining
fairness. Ablation studies further reveal that the learned behavior resembles slotted ALOHA with a dynamically adjusted transmission probability, leading us to refer to the method as KISS: Keeping It Simple and Slotted.
Read the full abstract ▾
All authors Kamil Szczech, Maksymilian Wojnar, Krzysztof Rusek, Katarzyna Kosek-Szott, Szymon Szott
Machine Learning · Cross-listed from stat.ML
Out-of-Distribution generalization of quantile regression with heavy tailed inputs: an SVM approach
Baptiste Leroux, Clément Dombry and Anne Sabourin
We study
quantile regression in an extrapolation regime where the
covariate takes unusually large values. Under regular variation assumptions, extreme observations can be effectively characterized through their angular components, enabling learning strategies that focus on the angle of the most extreme observations. This approach is formalized through the minimization of an asymptotic conditional risk that localizes learning in the tail of the
covariate distribution. We propose a novel Support Vector Machine (SVM) framework for extreme
quantile regression, leveraging reproducing kernel
Hilbert spaces to handle high-dimensional and nonlinear settings. Our method also accommodates unbounded response variables and avoids restrictive transformations. We establish finite-sample learning guarantees under mild regularity assumptions. The proposed framework unifies ideas from statistical learning and multivariate extremes, providing a tractable and theoretically grounded approach to extrapolation. We complement our theoretical findings with an empirical study on river flow data from the Danube, demonstrating the practical relevance of our methods.
Read the full abstract ▾