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Thursday 28 May

Machine Learning

Diffusion Models Preferentially Memorize Prototypical Examples or: Why Does My Diffusion Model Love Slop?

Generative models have a persistent limitation: their tendency to memorize training data can create legal liabilities and erode creative diversity. Understanding which samples are memorized in whole or in part, and under what conditions, therefore remains an important open problem. Here we answer the question "Are atypical or rare samples memorized first?" in the negative. We train diffusion models on strings generated according to the production rules of the Random Hierarchy Model (RHM), and find that samples composed of common substrings are preferentially memorized. This holds true even if the training data consists of entirely unique samples, indicating that deduplication at the data point level does not provide a meaningful privacy guarantee. Correspondingly we predict, then observe, delayed memorization for fat-tailed datasets (i.e., those with more atypical samples). This effect is amplified when fat-tails are introduced into high-level production rules. These together suggest that dataset diversity, particularly at higher levels of abstraction, plays an important role in staving off memorization. Finally, we identify an intermediate regime of partial memorization in which common substrings are learned first and subsequently overproduced during generation. If training is stopped in this regime, models will exhibit the reversion-to-the-mean blandness often derided as "slop".
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All authors Marta Aparicio Rodriguez, Anastasia Borovykh, Grigorios A. Pavliotis, Daniel J. Korchinski

Machine Learning

CSULoRA: Closest Safe Update Low-Rank Adaptation

Low-rank adaptation has become a standard method for parameter-efficient fine-tuning of large language models, but even small amounts of unsafe or adversarial fine-tuning data can substantially weaken the safety behavior of aligned models. Existing safety-preserving LoRA methods often rely on hard interventions such as projection, pruning, thresholding, or additional training objectives. While these methods can suppress unsafe update directions, they may also remove task-relevant information or require extra tuning. We introduce CSULoRA, a post-hoc method for correcting trained LoRA adapters through closest safe update estimation. CSULoRA estimates a safety-aligned subspace from the weight displacement between a safety-aligned model and its corresponding base checkpoint. It then decomposes each LoRA update into fully aligned, partially aligned, and off-subspace components. Instead of discarding components outside the estimated safety subspace, CSULoRA solves a closed-form penalized minimum-change problem that preserves the fully aligned component while smoothly attenuating potentially unsafe directions according to their relative energy. In adversarial fine-tuning experiments, CSULoRA substantially reduces attack success rate while preserving most of the utility gains obtained from standard LoRA fine-tuning.
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All authors Oleksandr Marchenko Breneur, Adelaide Danilov, Aria Nourbakhsh, Salima Lamsiyah

Machine Learning

Score Broadcast and Decorrelation: A General Framework for Broadcast-Based Credit Assignment

We introduce Score Broadcast and Decorrelation (SBD), a principled framework for broadcast-based credit assignment for general families of differentiable losses. Error broadcast is a biologically plausible alternative to backpropagation that sends output information to hidden layers without weight transport. The Error Broadcast and Decorrelation (EBD) framework, recently introduced for the mean-squared-error (MSE) setting, grounded this mechanism in the stochastic orthogonality of optimal estimators, under which the optimal residual is orthogonal to functions of the input. We generalize that foundation by introducing an orthogonality principle between the output score (the gradient of loss with respect to the final-layer output) and hidden-layer activations, which holds whenever the optimal score has conditional mean zero. This single principle unifies broadcast-based credit assignment across the standard differentiable-loss families, including cross-entropy, Bregman divergences, proper scoring rules, and exponential-family negative log-likelihoods. The framework supplies a theoretical grounding for the three-factor learning rule under general losses, with the neuromodulatory factor derived as the broadcast loss score. We derive the cross-entropy case explicitly, characterize the admissible loss class, and introduce a score vector expansion technique that enriches the broadcast signal while preserving the orthogonality framework. Experiments on CIFAR-10 and Tiny ImageNet show that SBD substantially improves over existing broadcast approaches, with score vector expansion delivering further gains. Overall, this work identifies the loss score as the signal to broadcast, supplies the orthogonality theory and theoretical grounding for the three-factor learning rule from neuroscience, and shows how score vector expansion enriches the decorrelation directions of the resulting objective.
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All authors Mustafa Uzun, Mete Erdogan, Cengiz Pehlevan, Alper T. Erdogan

Machine Learning

CellBRIDGE: Learning Cellular Trajectories via Interaction-Aware Alignment

Inferring dynamics from population snapshots is a fundamental challenge in machine learning and biology. In scRNA-sequencing (scRNA-seq), destructive measurements preclude direct tracking of individual cells across time, making trajectory inference underdetermined. Optimal Transport (OT) provides a principled framework for snapshot alignment, but a long-standing modeling question is which cost functions yield biologically meaningful couplings. Standard OT approaches rely on gene-expression distances, implicitly treating cells as independent points and neglecting structured cell-cell communication mediated by ligand-receptor signaling. We introduce CellBRIDGE (Cell-Based Regularized Interaction-Driven Gene Expression), which augments feature-based OT with a directed, typed interaction cost derived from ligand-receptor activity. By explicitly modeling cell-cell communication, CellBRIDGE improves cross-snapshot couplings and downstream trajectory estimates across synthetic and real scRNA-seq datasets relative to feature-only baselines. Notably, CellBRIDGE enables mechanistically interpretable in silico perturbations: on lung cancer data, silencing specific ligand-receptor pairs induces trajectory shifts that recapitulate expected effects of targeted pathway inhibition.
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All authors Silas Ruhrberg Estévez, Nicolas Huynh, Tennison Liu, Roderik M. Kortlever, Gerard I. Evan, David L. Bentley, Mihaela van der Schaar

Machine Learning · Cross-listed from cs.HC

Rationalize: Shared Semantic Reasoning for Human-AI Alignment

We introduce Rationalize, a role-pair framework for shared semantic reasoning between humans and AI models in data-driven sensemaking. Building on ideas in human-machine teaming and critical thinking, we conceptualize human-AI interaction as a series of complementary role pairs (Explorer-Guide, Investigator-Informant, Teacher-Student, Judge-Advocate) operating in a shared reasoning space. In this space, human analysts and AI models (such as LLMs) make purposes, questions, assumptions, evidence, inferences, and implications explicit, facilitating alignment not only at the output level but at the level of rationalization of intent and action by each side. We relate these role pairs to the bidirectional human-AI alignment framework, illustrating how "aligning AI to humans" and "aligning humans to AI" differ by role, and sketch a collaborative research agenda for alignment design and assessment using element-level and role-specific approaches.
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All authors Aritra Dasgupta, Naga Datha Saikiran Battula, Avina Nakarmi, Sohom Sen, Subhodeep Ghosh, Xun Song

Machine Learning · Cross-listed from cs.CV

Controllable Lung Nodule Synthesis via Histogram-Regularized Latent Diffusion Models

While automated diagnosis systems have achieved remarkable success in computed tomography (CT)-based lung cancer screening, their development remains limited by the scarcity of diverse, annotated pulmonary nodule datasets. Diffusion-based generative models offer a promising strategy for data synthesis; however, many existing conditional approaches primarily optimize spatial reconstruction losses, which encourage voxel-wise similarity but may inadequately constrain lesion-level intensity distributions. As a result, these methods may produce over-smoothed texture profiles and underrepresent the distinct attenuation characteristics of different nodule subtypes, including solid, part-solid, and ground-glass nodules. To address this challenge, we propose a controllable latent diffusion model that synthesizes pulmonary nodules within full 3D CT volumes while accurately modeling nodule-specific intensity distributions. Specifically, rather than relying solely on spatial losses, we introduce a histogram-based regularization term that constrains voxel intensity distributions during the generative process. The model combines subtype, spatial mask, and Hounsfield unit (HU) histogram conditioning with the differentiable feature-space histogram regularization term to better align lesion-level intensity distributions, improving the visual plausibility and subtype consistency of synthesized nodules. Extensive experiments on lung CT data demonstrate that our framework achieves strong visual realism, validated through both quantitative metrics and a visual Turing test. Furthermore, when used for data augmentation, the generated nodules improve performance in downstream clinical tasks, particularly for underrepresented nodule subtypes, and show a potential benefit for subtype-informed malignancy classification.
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All authors Arunkumar Kannan, Yanbo Zhang, Han Liu, Michael Baumgartner, Jianing Wang, Alexander Hertel, Bogdan Georgescu, Sasa Grbic

Machine Learning · Cross-listed from cs.CL

The Architecture of Errors: From Universal Impossibility to Patch-Local LLM Reliability

Universal LLM reliability is not a finite-library problem: across all possible tasks, tools, schemas, knowledge sources, and evaluator expectations, new intervention-distinguishable failure modes can appear without bound, so no finite intervention dictionary can guarantee bounded residual error for every such mode. But deployed systems do not operate over the whole universe. They operate inside operationally bounded patches (legal review, medical RAG, code repair, customer-support agents, contract extraction) with recurring tasks, schemas, tools, and evaluator expectations. Within such patches, empirical evidence suggests failures are sparse, repetitive, and concentrated in a small recurring catalogue, so reliability becomes a local catalogue-discovery and intervention-coverage problem rather than an exponential token-length problem. We formalize this transition with two propositions and one corollary. Proposition 1 is the worst-case-mode-wise negative result: no finite intervention dictionary covers every distinguishable failure mode of an unbounded domain. Corollary 1 is the inverse-discovery implication: the logarithmic upper bound on mode discovery cannot accommodate linearly more distinct tail modes without exponentially more observed hard-failure events. Proposition 2 is the positive patch-local result: under log active-mode exposure and head-heavy coverage, a sufficient per-hard-decision intervention budget grows polylogarithmically in sequence length and becomes domain-constant once the patch catalogue saturates. The framework relocates rather than dissolves long-context difficulty: where the number of hard decisions itself grows with task length, reliability remains hard; the contribution is to identify the on-axis intervention rather than to make those regimes easy.
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All authors Mikhail L. Arbuzov, Lee Mosbacker, Sisong Bei, Ziwei Dong, Dmitri Kalaev, Alexey Shvets

Machine Learning

Active Timepoint Selection for Learning Measure-Valued Trajectories

Inferring continuous probability paths from sparse snapshots is a fundamental challenge in domains like single-cell biology, where high-fidelity data acquisition is often destructive and constrained by prohibitive sequencing costs. This motivates the need for active learning strategies to strategically select optimal measurement times. However, designing active learning policies for this setting remains an open problem: the target objects reside on the infinite dimensional Wasserstein space where standard Euclidean metrics are ill-defined, and current interpolation methods lack epistemic uncertainty quantification. We introduce a framework which extends active experimentation to the space of measures. By leveraging Linearized Optimal Transport (LOT), we map distributional snapshots into a tangent space amenable to Gaussian Process modeling, allowing us to construct a tractable probabilistic surrogate for the underlying probability path. This yields an acquisition policy that iteratively selects measurement times to minimize uncertainty. Empirical results demonstrate that our strategy outperforms uncertainty-agnostic baselines on both synthetic and real-world datasets.
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Machine Learning · Cross-listed from cs.NI

Jamming-Resilient PRB Reservation for Latency-Critical O-RAN Network Slicing

Open radio access network (O-RAN) architectures enable near real-time, software-driven control of network slicing through programmable xApps deployed on the near-real-time RAN Intelligent Controller (near-RT RIC). In industrial 5G downlink systems, adversarial jamming can abruptly reduce the effective physical resource block (PRB) capacity, triggering queue buildup and persistent latency violations, particularly in the presence of low spectral efficiency cell edge user equipments. This paper proposes a reserve-based resilience framework for PRB allocation in sliced O-RAN deployments. A finite pool of reserved PRBs is controlled by a near-RT RIC xApp that provides hybrid mitigation by proactively clearing backlog to build latency margin and reactively allocating reserve capacity during jammer active intervals. We formulate reserve activation as a constrained sequential decision problem and design a masked Deep Q-Network to learn effective control policies under non-stationary jamming. Simulation results show substantial reductions in URLLC latency violations and improved reserve efficiency compared to reactive baselines.
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Machine Learning · Cross-listed from stat.ML

Reward Learning from Best-of-$N$ Preference Data: Targets, Tradeoffs, and Design Principles

Best-of-$N$ sampling is widely used to construct pairwise preference data: $N$ candidates are drawn from a base distribution, and the best is paired with a rejected response. Despite its widespread use, what Bradley–Terry (BT) reward learning extracts from such data, and how to choose $N$ and the base distribution, remain unclear. We specialize a recent analysis of preference data via its induced conditional distribution to Best-of-$N$. For independent-reference variants, we derive closed-form reward targets as explicit functions of $N$ and the base distribution, and show that they preserve the latent reward ranking. For the practical Best-vs-Random and Best-vs-Worst variants, chosen and rejected responses are coupled through the same candidate set, so exact BT representability generally fails; nevertheless, bounded-class minimizers approach the reference targets as $N$ grows. Although margin and connectivity are known to govern sample efficiency in pairwise preference learning, Best-of-$N$ couples them through $N$ in opposing directions: larger $N$ widens pairwise margins but reduces connectivity. This trade-off yields two design principles: use larger $N$ when preference labels are the bottleneck, smaller $N$ when generation is the bottleneck; and shape the base distribution to place mass between the responses whose comparison matters most at test time. Experiments on synthetic and real preference data support the predicted dependence on sample size and base-distribution shape.
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Machine Learning

Improving Selective Classification with Pairwise Queries for Binary Classification

In selective classification, a model predicts the labels of data samples where it is confident, and abstains from predicting labels for samples on which it is not confident. The rejected samples are often labeled by an expert, which is expensive. The budget for the expert is best utilized when the model has low error on non-rejected samples. However, the estimate of a model's confidence might be inconsistent with the model's predictions, which can lead to high error on non-rejected points. Such situations can readily occur in in-context binary classification by LLMs. To remedy this, we propose making additional pairwise queries to the same model. These pairwise queries can detect high-error samples and be incorporated into selective classification techniques to reduce the error on non-rejected samples. Theoretically, we establish the conditions under which a simple algorithm using pairwise queries outperforms an inconsistent confidence estimate. We support this insight through extensive experiments for $1$ synthetic and $4$ in-context learning-based real binary classification datasets. In all these cases, we show that our algorithms, using pairwise queries, obtain a better accuracy-cost tradeoff than using only the raw confidence estimates, for instance, the LLM's next-token logits.
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All authors Harsh Vardhan, Sunav Choudhary, Natwar Modani, Arya Mazumdar

Machine Learning · Cross-listed from cs.CR

CacheProbe: Auditing Prompt Cache Isolation in Gateway APIs

Over the past year, prompt caching in Large Language Models (LLMs) has become increasingly more popular across inference APIs. Prompt caching helps save precious compute resources and speeds up response times by reusing parts of the KV cache of a specific prompt for another request. However, many implementations of prompt caching are not secure against timing attacks or even basic metadata disclosure. Gu et al. (ICML 2025) develop a method to audit prompt caching in LLMs. This paper investigates whether OpenRouter's API gateway architecture introduces prompt caching vulnerabilities that bypass provider-level prompt cache isolation guarantees. Most LLM inference providers implement per-account or per-organization prompt caching to prevent data leaks, but does routing through OpenRouter with shared organizational credentials inadvertently create global cache sharing across all OpenRouter users?
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Machine Learning · Cross-listed from cs.RO

ZAPS-DA: Zero-Phase Action Policy Smoothing with Decoupled Actor for Continuous Control in Reinforcement Learning

Continuous control policies trained with off-policy reinforcement learning frequently exhibit high-frequency action jitter, impractical for direct deployment on physical actuators. Post-hoc filtering attenuates jitter but adds phase lag; embedding smoothness penalties in the actor's loss couples them with the RL gradient and conflates reward regression with over-aggressive smoothing. We present ZAPS-DA, which reduces action jitter at deployment with negligible phase lag and no post-processing. ZAPS-DA pairs an unmodified main actor (trained by the base RL loss) with a separate decoupled actor trained via supervised imitation of zero-phase filtered targets stored in the replay buffer. The deployed policy is the decoupled actor: a feed-forward map from observation to smooth action, with no inference-time filter and no action-history input – causal distillation of a non-causal filter. A magnitude-matched MSE loss gives zero-hyperparameter portability across optimizer classes. Validated with Soft Actor-Critic and a Savitzky-Golay filter in two driving simulators (paired n=150): on MetaDrive (anchor protocol), ZAPS-DA cuts steering jitter 14-21x and throttle jitter 3-5x (all $p<10^{-4}$, Bonferroni) while matching task-completion (p=0.28 success, p=0.31 crash) at 6.3% reward cost; on a custom Webots adaptive cruise control task, the same configuration yields a Pareto improvement – reward parity (p=0.121), 8-45x steering-jitter reduction, task-failure rate 2.0% to 0.7%. Against CAPS, the standard penalty-based baseline – at both its auto-entropy and native fixed-entropy operating points, with penalty weight, spatial noise, and entropy coefficient re-tuned per environment – ZAPS-DA reaches 14.7x steering-jitter reduction versus CAPS's best 3.2x at matched seeds, a ~4.6x gap, with no per-environment tuning of the smoothness signal and post-hoc applicability to trained policies.
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Machine Learning

Constrained Flow Optimization via Sequential Fine Tuning for Molecular Design

Adapting generative foundation models, in particular diffusion and flow models, to optimize given reward functions (e.g., binding affinity) while satisfying constraints (e.g., molecular synthesizability) is fundamental for their adoption in real-world scientific discovery applications such as molecular design or protein engineering. While recent works have introduced scalable methods for reward-guided fine-tuning of such models via reinforcement learning and control schemes, it remains an open problem how to algorithmically trade-off reward maximization and constraint satisfaction in a reliable and predictable manner. Motivated by this challenge, we first present a rigorous framework for Constrained Generative Optimization, which brings an optimization viewpoint to the introduced adaptation problem and retrieves the relevant task of constrained generation as a sub-case. Then, we introduce Constrained Flow Optimization (CFO), an algorithm that automatically and provably balances reward maximization and constraint satisfaction by reducing the original problem to sequential fine-tuning via established, scalable methods. We provide convergence guarantees for constrained generative optimization and constrained generation via CFO. Ultimately, we present an experimental evaluation of CFO on both synthetic, yet illustrative, settings, and a molecular design task. Across these evaluations, CFO achieves consistent increases in reward while ensuring high constraint satisfaction, showcasing its practical utility for constrained generative optimization.
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All authors Sven Gutjahr, Riccardo De Santi, Luca Schaufelberger, Kjell Jorner, Andreas Krause

Machine Learning · Cross-listed from physics.ao-ph

Learning effective Sargassum transport dynamics from limited drifter observations

Floating-material transport is influenced by unresolved processes that are often absent from available circulation products. We develop a data-driven transport-learning framework for learning effective transport corrections from limited Lagrangian observations using physically motivated ocean–atmosphere diagnostics and finite-memory representations motivated in part by inertial-particle memory effects. The diagnostic representation is analyzed through predictive and sparse symbolic-discovery approaches under leave-one-trajectory-out validation. Applications to Sargassum-following drifters in the Puerto Rico region and the Gulf Stream show that the diagnostics contain transport-relevant information beyond the baseline circulation products. Multilayer perceptron (MLP) ensembles provide flexible predictive trajectory corrections, while Sparse Identification of Nonlinear Dynamics (SINDy) tests whether instantaneous or delayed sparse symbolic transport structure can be extracted from the diagnostics. The results differ across flow regimes: (i) in Puerto Rico, delayed sparse symbolic corrections provide modest but systematic improvement; (ii) in the Gulf Stream application, dynamically useful sparse symbolic corrections remain primarily instantaneous even though delayed predictive information persists. These results support finite-memory transport effects in coarse-grained floating-material transport while also illustrating the difficulty of obtaining stable delayed sparse symbolic closures.
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All authors F.J. Beron-VEra, M.J. Olascoaga, J. Morell, E. Cruz

Machine Learning

TASER: Task-Aware Stein Regularisation for Geometry-Driven Smoothness

Deep neural networks remain sensitive to distribution shifts, motivating regularisation informed by data geometry. We introduce TASER (Task-Aware Stein Regularisation), a compact training-time framework that couples model derivatives to density scores by penalising the Langevin Stein operator. We establish a weighted Sobolev interpretation and a hierarchy of stability bounds under progressively stronger distributional assumptions. Moreover we introduce TASERLight, which is based on a first-order Stein operator. TASER and TASERLight require neither explicit tangent-space estimation nor an inner perturbation search. Controlled synthetic examples illustrate their effects on extrapolation and directional sensitivity. Experiments on spectroscopy, skeleton motion, ECG, MNIST, and CIFAR-10 demonstrate gains under distribution shift and complementary benefits when combined with isotropic regularisation.
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Machine Learning

The Fast Mixing Mechanism for Differential Privacy

Randomized sketching is a central tool for compressing large-scale optimization problems while preserving accuracy. In particular, sketches that are based on structured matrices, such as the Hadamard matrix, can be applied efficiently and often yield solutions that approximate those of the original problem at much lower computational cost. In differential privacy (DP), Gaussian sketching has been used to solve DP linear regression, beginning with \citet{sheffet2017differentially, sheffet2019old} and later refined by \citet{lev2025gaussianmix, lev2026near}. However, although these methods achieve strong utility guarantees, they usually do not improve runtime over classical DP approaches. In this work, we introduce a new DP sketching mechanism based on fast transforms, which, in certain cases, matches the runtime of classical fast sketching methods. We prove state-of-the-art privacy guarantees for this mechanism and show that, in favorable regimes, they match those of the Gaussian sketch up to a constant factor. As an application, we combine this mechanism with recent sketch-based methods for DP linear regression to obtain a new algorithm with strong utility and improved runtime. We establish privacy and accuracy guarantees for this algorithm, yielding, to the best of our knowledge, the first fast method for DP ordinary least squares.
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All authors Omri Lev, Moshe Shenfeld, Vishwak Srinivasan, Katrina Ligett, Ashia C. Wilson

Machine Learning

AMNESIA: A Large Scale Medical Unlearning Benchmark Suite with Disease-Informed Analysis

Medical knowledge is continuously evolving. This creates a need to update or selectively forget information encoded in already-trained medical LLMs. Machine unlearning aims to remove the influence of specific training data from a model without full retraining. Yet, existing unlearning benchmarks rely on synthetic or small-scale general data, leaving clinical unlearning understudied. We introduce AMNESIA, the first large-scale, open source benchmark for medical unlearning, with 70,560 question-answer pairs from 8,820 patient notes across 11 disease categories. AMNESIA includes both factual questions testing direct recall and reasoning questions testing clinical inference. We use it to evaluate four widely used unlearning methods at both random patient and disease-level, and introduce a new metric for detecting leakage of medical terminology. We show that unlearning individual patients erodes knowledge of others with the same condition, calling for methods that can better separate patients from shared clinical knowledge.
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All authors Saeedeh Davoudi, Reihaneh Iranmanesh, Ophir Frieder, Nazli Goharian

Machine Learning

ScaleMAP: Preserving Local Density and Neighborhood Structure in Low-Dimensional Embeddings

Nonlinear dimensionality-reduction methods such as UMAP and PaCMAP adaptively normalize local distances during graph construction, erasing neighborhood scale from the data. This distorts more than relative cluster sizes: sparse structures like bridges between transitioning cell types and narrow spectral spikes in hyperspectral images can be suppressed or lost entirely. DensMAP adds a density penalty to correct this, but this penalty competes with UMAP's attraction-repulsion forces, scattering points far from their neighborhoods. ScaleMAP takes a different approach: each pairwise embedding displacement is divided by the geometric mean of the two endpoints' original-space local radii, re-injecting scale information as a change of variables rather than as a competing objective. Across standard benchmarks and scientific datasets from transcriptomics, hyperspectral imaging, and flow cytometry, ScaleMAP matches DensMAP on density preservation while maintaining UMAP-level neighborhood preservation. In transcriptomic data, it recovers sparse bridges between cell populations that UMAP collapses; in flow cytometry, it faithfully represents density structure across 17 orders of magnitude. The same principle applied to PaCMAP yields consistently improved density preservation, suggesting the approach generalizes beyond UMAP.
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Machine Learning

Improving Relative Representations with Learned Anchors and Whitened Inner Products

Independently trained neural models typically converge to incompatible latent representations, creating a fundamental barrier to highly modular AI systems. While Relative Representations (RR) address this by mapping absolute coordinates to a shared space defined by similarities to common anchor points, traditional implementations rely on randomly sampled anchors and cosine similarity, which frequently fail to capture the anisotropic geometries of modern architectures like Transformers. In this work, we propose a robust framework for cross-model communication based on two improvements. We learn anchors as robust semantic prototypes and utilize a geometry-aware similarity metric which preserves discriminative magnitude information and is invariant to affine shifts. Our approach demonstrates significant gains in performance and consistency across vision and language tasks. Notably, it enables nearly lossless information transfer and stable zero-shot communication even between highly heterogeneous architectures, such as small language models of varying scales.
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All authors Oscar Thorsted Svendsen, Nikolaj Holst Jakobsen, Fabian Mager, Hiba Nassar

Machine Learning

Scientific Machine Learning for Engine Health Management and Remaining Useful Life Prediction

Engine Health Management (EHM) depends on reliable forecasting of Remaining Useful Life (RUL) and on tracking thermal indicators such as turbine gas temperature (TGT). In practice, real-world fleet data are heterogeneous and non-stationary, and point predictions alone are insufficient for risk-aware maintenance decisions. This paper presents a multi-task scientific machine learning framework for turbine prognostics that jointly predicts turbine gas temperature untrimmed (TGTU), Delta Turbine Gas Temperature (DTGT), and RUL, with quantified uncertainty in the form of prediction intervals whose empirical coverage is evaluated. A shared sequence encoder (convolutional front-end with residual bidirectional LSTM layers and attention pooling) feeds task-specific heads, including mean–variance estimation for probabilistic regression and, optionally, a survival head for threshold-based event modeling. The framework is designed to be tunable via a small set of practitioner-facing parameters (e.g., DTGT thresholding rules and RUL target construction) so that deployment can align with in-house policies and proprietary criteria. The predictive performance of the proposed framework is evaluated using both point and interval metrics, including mean absolute error (MAE), prediction interval coverage probability (PICP), mean prediction interval width (MPIW), and the coverage–width criterion (CWC). Results are reported both in aggregate and stratified by flight phase and maintenance segment to highlight operational-context effects and to support uncertainty-aware monitoring.
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All authors Jostein Barry-Straume, Changmin Son, Adrian Sandu, Gavan Burke, Rekha Sundararajan, Andrew Rimell, James G. Steinrock

Machine Learning

Learning Transferable Predictability Representations

We study the problem of assigning a scalar score to a short trajectory window that reflects its position on an ordered continuum of predictability regimes, spanning structured deterministic dynamics to unstructured stochastic noise. Existing methods address deterministic-versus-stochastic discrimination within a single system and do not produce scores with a consistent numerical interpretation across systems. We formalize this as ordinal estimation over a five-level predictability ladder and identify a structural source of cross-system ambiguity: ranking supervision alone leaves the score coordinate unfixed up to a monotone reparameterization, which we term the gauge freedom of ordinal scoring. We propose the Gauge-Fixed Ordinal Network (GON), a temporal convolutional model trained with an anchor-and-variance objective that pins level-wise score means to shared target coordinates. GON operates on 2-jet features that expose local trajectory geometry, preserved by smooth flows and disrupted by stochastic surrogate procedures. On five held-out dynamical systems, initializing from a pretrained GON checkpoint consistently outperforms training from scratch across all window budgets, with adaptation depth reflecting geometric proximity to the training family. Zero-shot scores retain ordinal structure at the stochastic boundary, where surrogate procedures most strongly disrupt nonlinear geometry, and pretrained initialization consistently beats scratch across all window budgets. Pairwise discrimination and globally coherent ordinal scoring are distinct properties requiring a stable score coordinate for cross-system transfer, with direct implications for predictability assessment, model selection, and early-warning diagnostics across natural and engineered dynamical systems.
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Machine Learning

Counterfactual Evaluation Reveals Hidden Capability Profiles in Clinical LLMs and Agents

Two clinical AI systems can score nearly identically on coverage-based rubrics yet behave radically differently when their patient inputs change: one updates its recommendations to match the new clinical signal, while the other produces the same output regardless. We introduce the Causal Sensitivity Score (CSS), a pre-registered interventional metric that mutates oncology tumor-board cases along five clinically meaningful dimensions - biomarker flips, prior-treatment failures, biomarker removals, surgery-status changes, and stage perturbations - and scores whether each model updates its recommendations in the pre-registered correct direction using a {0, 0.5, 1.0} scale. Benchmarked against the Consensus Match Score (CMS), a coverage-based weighted recall metric, six frontier models from three labs evaluated in single-shot inference across 224 cases rank in nearly opposite orders: all six models change rank, the CMS-worst model becomes CSS-best, and one upper-mid CMS model ranks last on CSS. We further surface a universal safety blind spot: every frontier model fails on surgery-status interventions (at most 17.2% CSS on Family D), a finding CMS does not expose. The metric also transfers to tool-using agents: in a ReAct-style experiment, tool use improves CSS for five of six models (+2.5 to +20.3 percentage points), yet the lowest-CSS model retrieves the same chart sections and still fails to update its recommendations - revealing a structural responsiveness deficit visible only under counterfactual evaluation. Cross-judge replication and three-rater medical-professional validation confirm the aggregate findings. Interventional pre-registered metrics like CSS complement coverage-based evaluation for clinical AI agents: they capture responsiveness that coverage metrics miss and offer a candidate dense reward signal for future agentic RL systems.
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Machine Learning

Benchmarking Machine Learning Uncertainty Quantification Methodologies for Predicting Turbine Gas Temperature Degradation

Effective prognostics and health management of modern engines relies on accurate turbine gas temperature predictions and robust uncertainty quantification to ensure reliability and safety. This paper investigates five major approaches for constructing prediction intervals – namely the Delta method, Bayesian Monte Carlo Dropout, Bootstrap method, Lower-Upper Bound Estimation, and Mean-Variance Estimation – as a means of capturing the uncertainty in neural network predictions of turbine gas temperature. Each approach is implemented within a unified experimental framework that employs cross-validation for hyperparameter selection, repeated train-test splits for performance robustness, and multiple metrics to evaluate both the accuracy and tightness of the intervals. In particular, Coverage Probability, Normalized Mean Prediction Interval Width, and the Coverage Width-based Criterion are measured to comprehensively assess each method's reliability and sharpness. Experiments conducted on a representative turbine gas temperature dataset reveal distinct trade-offs among the five methods in terms of interval coverage, width, and stability. These findings provide a practical guide for selecting and tuning prediction interval methods in engine health management and prognostics, ensuring both interpretability and precision in real-world applications.
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All authors Jostein Barry-Straume, Changmin Son, Adrian Sandu, Gavan Burke, Rekha Sundararajan, Andrew Rimell, James G. Steinrock

Machine Learning · Cross-listed from cs.CL

Speculative Decoding and the Curse of Multilinguality

Speculative decoding is a popular technique for large language model (LLM) inference, enabling faster generation by drafting multiple tokens with a smaller draft model. However, the effectiveness of speculative decoding has mainly been studied for English. Motivated by the curse of multilinguality, we hypothesize that speculative decoding is far less effective for low-resource languages due to the limited multilingual capacities of smaller models. We test eleven languages under a standard speculative decoding setup and find strong evidence for our hypothesis. Next, we try to improve the multilingual capabilities of the smaller draft model via distillation from the larger model. We find, though, that distillation generalizes poorly across tasks in the same language, and we argue that assembling a task-agnostic, fully representative dataset is infeasible for low-resource languages. Finally, we propose weaker n-gram models as draft models; these provide moderate speed-ups due to their minuscule inference cost.
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All authors Nirajan Paudel, Michael Ginn, Luc De Nardi, Alexis Palmer

Machine Learning

Zeroth-Order Non-Log-Concave Sampling with Variance Reduction and Applications to Inverse Problems

Sampling from high-dimensional, non-log-concave distributions with unnormalized densities remains a fundamental challenge in machine learning, particularly in black-box settings where gradient information is inaccessible or computationally prohibitive. While Langevin dynamics provides a principled framework for sampling when gradients are accessible, its extension to the black-box settings suffers from high variance and lacks non-asymptotic convergence guarantees for non-log-concave sampling. To address these limitations, we propose a variance-reduced zeroth-order Langevin sampling method. Our method employs a gradient estimator that substantially reduces the variance of the classical batched zeroth-order estimator and eliminates the unfavorable dimensional dependence of the batch size required for accurate estimation, enabling practical and stable sampling. We establish the first non-asymptotic convergence guarantees for zeroth-order non-log-concave sampling in terms of $\varepsilon$-relative Fisher information, and, under a Poincaré inequality assumption, squared total variation distance. We further propose ZO-APMC, a posterior sampling algorithm for black-box inverse problems with pre-trained score-based generative priors, establishing the first non-asymptotic convergence guarantees for such methods. We validate our theory through synthetic experiments and demonstrate strong empirical performance on practical linear and nonlinear inverse problems.
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Machine Learning

Supervised Training Rapidly Degrades Early Visual Cortex Alignment Across Biologically Plausible Learning Rules

CORRECTION (August 2026): the central finding of this paper is not supported. An evaluation-mode defect left the batch-normalisation layers of the predictive-coding and STDP conditions in training mode during feature extraction, producing their apparent preservation of V1 alignment. With the defect repaired, predictive coding degrades V1 alignment more than backpropagation does, not less. The finding that training degrades V1 alignment for every rule tested does survive. See the correction note on page 1; the original abstract below and the body are unchanged from v1. Corrected analysis: arXiv:2608.12408. Random, untrained neural networks consistently match or exceed trained networks in representational similarity to early visual cortex. This puzzling finding challenges the assumption that learning improves brain alignment. We investigate it by tracking representational similarity analysis (RSA) alignment to human fMRI data across training for four learning rules: backpropagation (BP), feedback alignment (FA), predictive coding (PC), and spike-timing-dependent plasticity (STDP). Using 720 object images from the THINGS database and fMRI data from three subjects across six visual ROIs, we measure Spearman correlations between model and brain representational dissimilarity matrices at eight training checkpoints (epochs 0-40). We find that (1) a single epoch of training reduces V1 alignment by 25-90%, depending on the learning rule; (2) backpropagation reduces V1 alignment most severely (delta r = -0.080), while predictive coding and STDP preserve substantially more (delta r ~ -0.04); and (3) a weaker, opposite tendency appears in object-selective cortex (LOC), where BP shows the largest increase in alignment during training, although the absolute change is small.
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2605.30556 · 28 May · 7 pages, 4 figures. v2: The central finding of this paper is not supported. An evaluation-mode defect produced the apparent preservation of V1 alignment by predictive coding and STDP; with the defect repaired, predictive coding degrades V1 alignment more than backpropagation. Abstract and p.1 note revised accordingly; the body is unchanged from v1. Corrected analysis in arXiv:2608.12408

Machine Learning

Destruction is a General Strategy to Learn Generation; Diffusion's Strength is to Take it Seriously; Exploration is the Future

I present diffusion models as part of a family of machine learning techniques that withhold information from a model's input and train it to guess the withheld information. I argue that diffusion's destroying approach to withholding is more flexible than typical hand-crafted information withholding techniques, providing a rich training playground that could be advantageous in some settings, notably data-scarce ones. I then address subtle issues that may arise when porting reinforcement learning techniques to the diffusion context, and wonder how such exploration problems could be addressed in more diffusion-native ways. I do not have definitive answers, but I do point my fingers in directions I deem interesting. A tutorial follows this thesis, expanding on the destroy-then-generate perspective. A novel kind of probabilistic graphical models is introduced to facilitate the tutorial's exposition.
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Machine Learning

Early Prediction of Future Behavioral Strategy from Process Traces

Adaptive systems often need to make task-specific decisions about people from limited evidence: a tutor may need to anticipate how a learner will approach a new problem, a game may need to adapt when a player enters a new level, and a human-AI system may need to infer whether a partner will persist with a plan or switch goals. These decisions depend on person-level tendencies that shape how people solve related tasks, but such tendencies are difficult to infer from standard behavioral evidence. One approach is to use aggregate outcome summaries, such as scores, completion rates, or productivity; these summaries are compact and available across tasks, but can collapse distinct behavioral processes into similar outcomes. Another approach is to use process-level traces, which record how behavior unfolds; however, process modeling within one task can entangle stable person-level tendencies with task-specific layout and affordances. In this work, we study early cross-task behavioral inference: whether partial source-task process traces can reveal transferable person-level structure that predicts strategy in a held-out target task. We introduce a Process-Level Latent Variable Model (PLVM), which encodes task-specific traces and fuses them into a shared person-level latent representation for cross-task prediction. In PowerWash Simulator, a naturalistic telemetry dataset of human gameplay, PLVM uses partial traces from two cleaning tasks to predict locally persistent Zone Planner behavior versus frequent Zone Hopper behavior in the held-out Fire Station level. Controlled simulations with known latent types show that cross-task fusion helps when source tasks reveal complementary dimensions of a shared latent process. These results suggest that process-level cross-task modeling can support early prediction of target-task strategy when observing sufficient target-task behavior is impractical.
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Machine Learning

SubsurfaceGen: Procedural Generation of Field-Scale Earth Models and Seismic Data

Full waveform inversion (FWI) is the gold standard for subsurface imaging, with applications from carbon sequestration to energy and mineral exploration to earthquake hazard assessment. Machine learning approaches to FWI need field-scale, geologically diverse, and physically realistic training data, but existing resources such as Marmousi, SEAM, and OpenFWI fall short on spatial extent, temporal extent, geological diversity, and physical realism. We address these limitations with SubsurfaceGen, a GPU-accelerated generator for 3D velocity models and seismic data. Along with SubsurfaceGen, we release a paired dataset of 4,276 2D velocity slices, 5 s wavefields, and 8 s shot gathers drawn from 42 realistic, field-scale 3D velocity models, each spanning 10 km x 10 km laterally and 6.19 km deep at 10 m resolution. The dataset spans six geological settings – four built with SubsurfaceGen and two drawn from prior sources – relevant for carbon sequestration and hydrocarbon exploration. We use this dataset to evaluate neural operators on wavefield prediction and encoder-decoders on end-to-end velocity inversion, holding out one geological setting for out-of-distribution testing. These experiments surface failure modes at field-scale and demonstrate how SubsurfaceGen and the associated dataset can impact ML-based FWI.
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All authors Joseph Stitt, Pratik Rathore, Madeleine Udell, Ching-Yao Lai