Machine Learning · Cross-listed from cs.SE
Toward Localizing and Repairing Bias in Transformer Attention Heads
Sigma Jahan
Transformer language models are increasingly used as software components, yet biased outputs remain difficult to localize and repair inside the model. Existing
fairness testing and repair methods largely operate at the input-output or retraining level, while recent work suggests that bias-related behavior can concentrate in a small set of
attention heads. This paper studies whether
attention heads can be localized and repaired through a targeted inference-time intervention. We introduce ROBIN, a white-box head-level
fairness debugging method that ranks
attention heads using sensitivity to
fairness probes and removes a small bias subspace from selected head outputs. In a four-model pilot study, ROBIN reduces the measured WinoBias gap across all models while preserving
language-modeling quality better than whole-head zeroing. These preliminary results suggest that head-level bias repair should consider not only which heads are selected, but also how selected heads are modified.
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Machine Learning
Verifier-Based Reinforcement Fine-Tuning of Reasoning Models for Thermal Energy Storage Control
Takumi Shioda, Kohei Terashima and Tatsuo Nagai
Buildings are expected to shift cooling loads in response to grid conditions. Thermal energy storage (TES) enables this shift, but scheduling it well requires planning hours ahead under storage constraints. Model predictive control (MPC) and reinforcement learning are difficult to scale across buildings. This study instead adapts an open-weight
reasoning model through reinforcement learning with verifiable rewards (RLVR). We convert exact offline dynamic-programming (DP) action values into dense rewards for every candidate action. Using only 30 training
prompts, reinforcement fine-tuning (RFT) trains the model as an upper-level scheduler that outputs hourly heat-pump setpoints from text-based states and forecasts. Evaluation uses a deliberately simple office-building TES
benchmark where exact DP is tractable and the optimum is known. RFT reduces the open-weight model's emissions from 70.5 to 61.2 kg-CO2, close to the DP optimum of 60.8 kg-CO2. GPT-5 nearly matches DP and MPC without task-specific training, while GPT-4o, a non-
reasoning LLM, produces higher emissions than the no-storage baseline, so inference-time
reasoning appears important. Trace analysis shows that RFT mainly stabilizes observable planning patterns (candidate comparison, look-ahead, and feasibility checking) rather than creating a new strategy. Robustness and generalization tests clarify what transfers: the reinforced planning patterns persist under forecast errors and an unseen TES condition and carry over to a battery task, but its different structure limits the gains. DP-based verifiable rewards offer a practical way to adapt open-weight
reasoning models to building storage scheduling. These results motivate higher-fidelity tests of whole-building control and scalable verifiers for city-scale energy management.
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Machine Learning · Cross-listed from cs.ET
Reproducible Reservoir Computing with Thermally Driven Superparamagnets: Controlling Temperature Sensitivity
Zhengfei Chen, Alex Welbourne, Matthew O.A. Ellis et al. (+3 more)
Unconventional computing systems must demonstrate robust performance under real-world environmental conditions to enable practical deployments. We have recently proposed superparamagnetic nanodot ensembles driven by strain-induced magnetoelectric coupling as exciting candidates for use as ultra-low energy consumption reservoir computing substrates. However, because their dynamics are governed by thermal activation effects, these systems are intrinsically sensitive to ambient temperature fluctuations, leading to degraded task performance when operated outside the temperature range used during training. In this paper we simulate how temperature variations affect the magnetization dynamics of such superparamagnetic ensembles, and quantify how this affects task performance. We then show how heterogeneous nanodot patterns that incorporate different sizes of nanodots with different characteristic timescales for thermal activation mitigate this problem.
Benchmark results on the NARMA-10 task show that introducing optimized heterogeneity stabilizes performance of the reservoirs across a wide range of ambient temperatures (5-35{\deg}C), with little loss of ultimate performance. We also characterize the trade-off between performance and temperature stability and show that it can be tuned via reservoir hyperparameters. Our study demonstrates a key step in making these novel devices suitable for real-world deployment.
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All authors Zhengfei Chen, Alex Welbourne, Matthew O.A. Ellis, Dan A. Allwood, Eleni Vasilaki, Thomas J. Hayward
Machine Learning · Cross-listed from stat.ML
ANGLE: Angular Neural Generative Learning via Engression
Rajdeep Pathak, Archi Roy and Tanujit Chakraborty
Circular data, representing angles or directions, are frequently encountered in computer
vision, biology, geology, and meteorology. Traditional regression targets the conditional mean, which is often geometrically misleading for circular responses under
multimodal, skewed, or asymmetric data structures. To address these limitations, a lightweight deep generative framework, namely ANGLE, is introduced for non-parametric distributional regression on the circle. The full conditional distribution of an angular response, given Euclidean and circular
covariates, is learned through a generative map optimized via a generalized circular energy score (GCES) loss. Desirable theoretical properties, including the strict propriety of the loss and the rotational equivariance of the
estimators, are established. Furthermore, both pre- and post-additive noise models are accommodated. A unified toolbox is provided for advancing previously underexplored challenges in circular statistics: extrapolation, sufficient dimension reduction, and conditional distribution equality testing. The framework's efficacy is demonstrated through extensive simulations and real-world applications. Specifically, the proposal is utilized for object pose estimation from imagery and wind direction prediction, which are integral to surveillance, autonomous vehicles, and energy systems, respectively. Superior predictive performance and robust uncertainty quantification of the proposed method in these tasks are revealed.
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Machine Learning
Accelerating Masked Diffusion Large Language Models: A Survey of Efficient Inference Techniques
Daehoon Gwak, Minhyung Lee, Junwoo Park et al. (+1 more)
Diffusion large
language models (dLLMs) offer a theoretical advantage in parallel generation over standard autoregressive models. However, parallel generation alone does not guarantee practical speedups. Realizing this efficiency requires specialized inference mechanisms, such as
diffusion-aware caching and reuse. Consequently, as inference efficiency becomes a prerequisite for practical deployment, recent research has actively explored acceleration techniques across
algorithms, architectures, and systems. However, rigorous comparisons remain difficult, as end-to-end latency stems from intricate trade-offs between algorithmic, architectural, and system-level factors that are often conflated in existing
benchmarks. In this survey, we introduce a unified latency decomposition framework for dLLMs to disentangle these factors and analyze their impact on inference speed in real deployments. Guided by this framework, we categorize acceleration techniques along three axes covering algorithmic innovations, architectural and system optimizations, and inference-time scaling. Finally, we provide guidelines for reproducible benchmarking and highlight open challenges for realizing the full potential of parallel generation.
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All authors Daehoon Gwak, Minhyung Lee, Junwoo Park, Jaegul Choo
Machine Learning
Winfried van den dool, Patrick Forré, Amir Habibian et al. (+2 more)
The $\mathcal{O}(N^2)$ complexity of
attention over $N$
tokens remains a computational bottleneck in
transformer models. Vector-Quantized (VQ)
attention reduces this to $\mathcal{O}(MN)$ by representing keys with $M$ codewords, but applies uniform codebook capacity regardless of where
attention mass concentrates: high-
attention regions of key space may be coarsely approximated while low-
attention regions waste representational capacity. We propose Adaptive Vector-Quantized (AVQ)
Attention, which adaptively allocates codebook capacity based on
attention importance. Starting from a small set of codewords, our method identifies the most important codes during the forward pass and refines them with pre-learned child codewords, achieving fine-grained quantization where it matters most while maintaining coarse quantization elsewhere. We develop an implementation using custom Triton kernels that enables the full adaptive refinement process, including importance scoring, child codeword insertion, and parent contribution replacement, to be carried out within the tiled computation paradigm of Flash
Attention with minimal overhead. Our approach maintains $\mathcal{O}(MN)$ complexity while achieving improved accuracy-efficiency trade-offs compared to fixed-codebook VQ-
attention.
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All authors Winfried van den dool, Patrick Forré, Amir Habibian, Yuki M. Asano, Max Welling
Machine Learning · Cross-listed from cs.RO
Directional Constraints for Efficient Exploration in Safe Reinforcement Learning
Paolo Magliano, Puze Liu, Jan Peters et al. (+2 more)
Reinforcement Learning has revolutionized the landscape of robotic research, allowing robust learning of complex robotic skills in simulation. However, real-world deployment in open-ended environments requires strong safety guarantees to prevent dangerous or harmful behaviors. Safe Reinforcement Learning methods address this requirement by enforcing safety constraints. Nevertheless, learning under constraints often reduces learning speed and could lead to suboptimal task performance, as the
agent must solve a more complex constrained optimization problem compared to unconstrained settings. To tackle this issue, in this work, we propose an extension of the ATACOM framework, a state-of-the-art reliable safety layer that can be integrated with existing Reinforcement Learning
algorithms to enforce constraints derived from prior knowledge of the system or learned directly from data. Our proposed method, named ATACOM Directional Constraints (ATACOM-DC), significantly improves the safety-performance trade-off by introducing directional constraints that distinguish between actions approaching and moving away from constraint boundaries, activating constraint enforcement only when necessary. We evaluate our method across a range of challenging robotic control tasks in simulation, analyzing both constraint-violation costs and achieved task performance. Code and additional material at https://atacom-dc.
robot-learning.net.
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All authors Paolo Magliano, Puze Liu, Jan Peters, Davide Tateo, Raffaello Camoriano
Machine Learning · Cross-listed from math.OC
Learning-enabled Acceleration of Scenario-based Model Predictive Control
Trinh Tran, Binh Nguyen and Truong X. Nghiem
Scenario-based model predictive control (SBMPC) is a variant of model predictive control (MPC) that explicitly accounts for uncertainty by optimizing control actions over multiple predicted scenarios. However, its computational complexity increases rapidly with the number of scenarios and prediction horizon, limiting its applicability to real-time planning and control. This paper presents a learning-accelerated Alternating Direction Method of Multipliers (ADMM)
algorithm for efficiently solving SBMPC problems by leveraging parallel computing and Moreau envelope learning, while maintaining high solution accuracy. We reformulate the SBMPC problems into consensus forms that can be decomposed via ADMM, separating the scenario-dependent dynamics from non-anticipativity constraints and enabling parallel updates across scenarios and time steps. Building on this decomposition, we utilize a learning-to-optimize scheme that leverages Moreau envelope learning of the cost function to accelerate the primal update in ADMM, thereby reducing computation time. The proposed framework is evaluated on a microgrid energy management problem subject to load and renewable generation uncertainties. Comparisons with IPOPT and MadNLP, two popular and modern nonlinear programming solvers, demonstrate substantial computational speedups while maintaining reliable closed-loop control performance.
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Machine Learning
Learning Mechanistic Reasoning for Chemical Reactions with Large Language Models
Xingyu Dang, Haocheng Tang, Junmei Wang et al. (+1 more)
Reaction mechanisms consist of the step-by-step sequences of elementary reactions that explain chemical transformations. Learning the mechanism logic is therefore essential for enhancing the fundamental chemical intelligence of large
language models (LLMs). The stepwise deduction of reaction mechanism aligns naturally with the
reasoning paradigms of
reasoning LLMs. However, current chemical LLMs primarily emphasize coarse-grained name reactions for product prediction and retrosynthesis, often leading to physical inconsistencies and
hallucinations. In contrast, specialized small-scale generative models for mechanism inference typically suffer from restricted generalization capacity across diverse chemical spaces. To overcome these limitations, we built a novel, large-scale
reasoning dataset of reaction mechanisms. Furthermore, we established the FukuyamaBench, a difficult
benchmark derived from Fukuyama's Advanced Organic Reaction Mechanism book, to rigorously evaluate model performance on hierarchical mechanism
reasoning. Our fine-tuned Qwen3-30B-A3B achieves 8.3% exact pathway match on FukuyamaBench Set~A, surpassing the specialized FlowER model (5.1%), demonstrating that mechanism-aware training substantially enhances chemical
reasoning in
language models.
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All authors Xingyu Dang, Haocheng Tang, Junmei Wang, Yanjun Li
Machine Learning
Constraint-Aware Aggregation for Federated Reinforcement Learning in Microgrid Energy Coordination
Usman Haider and Karl Mason
Federated Reinforcement Learning (FedRL) enables coordination of distributed energy resources without sharing raw local data, but standard aggregation methods such as FedAvg do not account for system-level constraints, often leading to unsafe global behavior. In this work, we study constraint-aware aggregation for
federated reinforcement learning in distributed energy coordination. We propose aggregation rules that incorporate both local performance and estimated constraint violation into the server-side update. Among these, a simple penalty-based rule, $w_i \propto R_i - \alpha V_i$, consistently provides the most reliable trade-off between reward and safety, without requiring dual optimization or modifications to local training. \textcolor{black}{We evaluate our approach on DairyGridEnv, a
benchmark modeling multiple farms coordinating battery storage under
stochastic demand and a shared grid capacity constraint, and further assess robustness using real load-driven demand profiles from Finland and the German FIELD
dataset. Across multiple seeds, penalty-based aggregation substantially reduces violations while improving reward relative to FedAvg in both synthetic and real load-driven settings.} A combined reward-violation scheme exposes a tunable trade-off via $\lambda$, but is less stable. These results demonstrate that lightweight aggregation strategies can substantially improve empirical safety in
federated reinforcement learning while preserving standard communication protocols.
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Machine Learning
What Makes a Representational Prior Work? Feature Families, Label-Free Invariances, and Critical Windows in Grokking
Gunner Levi Howe
Companion work showed the grokking delay is causally the time to form task-structured representations, injectable via a contrastive prior. Here we characterize what makes such a prior work, across four axes, in 188 new runs. Content: a coherent, learnable prior built from the wrong feature family (magnitude bands) blocks generalization like a random partition (1/15 vs 0/20 grok; $p=0.43$ between them), confirming the companion's prediction that priors act at the level of the
circuit's features. Supervision: a fully label-free invariance prior – positives are commuted pairs $(a,b)\sim(b,a)$ only – generalizes in 15/15 runs at a median $2.7\times$ speedup, more reliably than the label-supervised prior itself ($p=0.038$), and combined with a weight-norm clamp yields the strongest method we test (median $17\times$, 5/5) – strongest meaning reliably fast: plain cross-
entropy with a clamp matches this speed only at the exact critical norm, while the prior keeps it fast across the entire clamp range. Timing: the prior is only needed early – applied solely during the first 2000 epochs (4% of budget) it generalizes 10/10 at $2.7\times$, beating continuous application (8/10, $1.25\times$) and a duration-matched later window ($2.1\times$). Setting: the dissociation replicates on modular multiplication and across depths and normalization variants, and a clamp sweep quantifies the companion's central claim: structure injection flattens the weight-norm delay-law exponent about 17-fold (plain cross-
entropy slows $31\times$ per +10 norm units, a lower bound as higher
cells are censored, versus $1.22\times$ with the prior). Honest boundary: tasks that generalize before memorizing have no delay to control. Feature-family
alignment decides whether a prior permits generalization; invariance content suffices for acceleration without labels; a brief early window captures nearly all of the benefit.
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Machine Learning · Cross-listed from cs.AI
LLMs Can See the Smoke but not the Fire: Evaluating Abductive Reasoning with Elenchos
Julius Steiglechner, Lucas Mahler and Gabriele Lohmann
Large
language models (LLMs) excel at pattern recognition and text generation, but their capacity for abductive inference - inferring latent hypotheses that explain observed behavior - remains poorly understood. Here, we introduce Elenchos (named after the Socratic method of cross-examination), a generative evaluation framework that measures abductive
reasoning as a structural inverse problem. Given a reference formal system, such as the lambda-calculus, and a potentially mutated counterpart,
agents must determine whether a mutation has occurred and infer the rule modifications responsible for the resulting behavioral differences. Evaluating frontier and mid-tier LLMs reveals a consistent detection-attribution dissociation: models often recognize that a system has been altered but struggle to identify the latent mutations causing the observed discrepancies. Performance degrades substantially under interacting mutations, where models frequently recover only a subset of the underlying mutations. Preliminary evidence also suggests diminishing returns from increased inference-time
reasoning, with only modest improvements under larger
reasoning budgets, though this finding requires further validation.
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Machine Learning
Learning-based Probabilistic Load Forecasting with Post-hoc and In-model Uncertainty
Sarah Al-Shareeda, Gulcihan Ozdemir and Heung Seok Jeon
Smart-building load forecasters are often trained offline on dense, multivariate, high-frequency data, but deployment may provide only hourly, feature-limited inputs. Missing features must then be reconstructed, and their errors can propagate through the model. If this input uncertainty is not reflected, prediction intervals may become miscalibrated, affecting demand-response scheduling. Our work examines where uncertainty should be placed once inference inputs are reconstructed. We develop a unified one-day-ahead probabilistic
forecasting framework that aligns temporal resolution, reconstructs the unavailable inputs, and derives causal features, and we compare a modular post-hoc residual-
quantile scheme with an integrated in-model
quantile-learning scheme. The comparison uses three mid-scale Deep Learning (DL) backbones: recurrent, hybrid recurrent, and
attention-based Temporal Fusion
Transformer (TFT) models, under identical inputs,
forecasting horizon, preprocessing rules, and training budgets. Results show that uncertainty placement is backbone-dependent. Integrated
quantile learning is most reliable with the TFT, yielding 2.2-3.6% MAPE and 28-83W RMSE on the labeled test window, while producing intervals about 5x narrower than the modular intervals at the closest-to-nominal coverage level. Diebold-Mariano tests support the TFT ranking and the mixed behavior of the recurrent backbones. A reconstruction-sensitivity test shows that reconstructed inputs increase the
Quantile Score (QS) by 106% while interval width remains nearly unchanged, indicating that the model does not automatically absorb reconstruction-induced uncertainty. Robustness checks against non-DL baselines and seasonal hold-out weeks support this ranking. Our results expose the limits of post-hoc residual
quantiles when inference depends on reconstructed inputs.
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Machine Learning · Cross-listed from hep-ph
Physically Consistent Parameter Inference: Transparent Machine Learning Emulation in High Energy Physics and Cosmology
Jorge Alda, Jacobo Asorey, Alejandro Mir et al. (+1 more)
Global fits in high energy physics and cosmology often face the challenge of exploring high-dimensional parameter spaces with computationally expensive or topologically complex likelihood functions. In this work, we present a Machine Learning framework designed to emulate complex, often non-Gaussian likelihood landscapes using gradient-boosted regression trees (XGBoost). We discuss the advantages of the Machine Learning approach in terms of computational efficiency and the resolution of confidence regions, particularly in scenarios with complex correlations or "curved" degeneracies. We validate this methodology by applying it to a recent analysis on flavour anomalies in semileptonic $B$
meson decays and discussing the adaptability of this framework to other phenomenological systems, such as
axion-like particles or cosmology global fits. Finally, we utilise SHAP (Shapley Additive exPlanations) values to provide a transparent analysis of feature importance, ensuring that the Machine Learning predictions remain physically interpretable and consistent with the underlying physics.
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All authors Jorge Alda, Jacobo Asorey, Alejandro Mir, Siannah Peñaranda
Machine Learning · Cross-listed from cs.CV
Label-Decoupled Style Augmentation for Domain Generalization in Multi-Label Remote Sensing Scene Classification
Alaa Almouradi and Erchan Aptoula
Multi-label classification assigns several co-occurring labels to each aerial scene, yet deployed models often encounter data distributions different from their training. Feature-statistics augmentation such as MixStyle, EFDMix, and correlated style uncertainty improves generalization at low cost but perturbs channel statistics globally, treating each image as a single style; one class can then contaminate the augmentation of another. Domain generalization is understudied for multi-label remote sensing; no prior method or multi-source
benchmark targets it. A label-decoupled augmentation framework is therefore proposed, confining style perturbation to label-specific regions. Per-label
attention, obtained from a learnable module or from gradient class-activation maps, yields per-label feature statistics; these statistics are mixed with cross-domain samples that share present labels, under independent per-label coefficients, and features are recomposed by
attention-weighted normalization. Three operators combined with two
attention sources produce six variants, evaluated on a leave-one-domain-out
benchmark from multi-label UCM, AID, and DFC15 over six shared labels. Averaged over three splits and five seeds, the best variant attains 71.5% mean average precision, exceeding empirical risk minimization by 5.0 points and the strongest global-statistics baseline by 1.3 points, with the largest gain on the hardest transfer (up to 7.7 points). Ablations indicate that spatial
attention and refreshed localization maps are most influential. The framework adds at most 0.35% parameters, leaves inference unchanged, and appears to offer a generic, inexpensive upgrade path for multi-label statistics-based domain generalization. Code is available upon acceptance at https://github.com/Alaa-Almouradi/Style-Augmentation-Upgrade.
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Machine Learning
Evidence-Grounded Verified Agentic Reasoning: A Path Toward Eliminating LLM Hallucination in Empirical Inference via Tool-Attested Kernel Proofs
Junyu Ren
Tool access alone does not make LLM empirical
reasoning governable: accepted outputs need not descend from attested evidence, and accepted deductions need not hold up under formal scrutiny. We present EG-VAR (Evidence-Grounded Verified Agentic
Reasoning), a Lean 4-based tool-calling architecture in which the Lean kernel is the sole minter of Verified claims via tool-attestation axioms and declared source lifts. Every verified output structurally descends from an attested tool call (Thm. 3.1) and a kernel-checked chain of valid inference (Thm. 3.2); residual outputs are honest Abstain with a replayable audit trail. On a subcollection of TableBench numerical
reasoning (n=120), EG-VAR attains 120/120 versus a 95% same-tool baseline; on counterfactual stress tests (5 domains x 2 models), EG-VAR stays 100% source-faithful while same-tool drops to 80-90% (no-tool 50-80%). With the LLM as deployment-time formalizer, residual semantic-formalization error is 3.3% on Sonnet and 1.7% on Opus. We position EG-VAR as a technical-governance interface for high-stakes empirical claims: a formal sidecar makes the target proposition, source scope, evidence boundary, proof obligation, and abstention condition auditable, eliminating unsupported Verified outputs today while turning formalization errors, lift and source-authority disputes, ambiguities, and abstentions into explicit audit targets. Over time, typed sidecars in
datasets, APIs, public records, and AI-generated documents can amortize this formalization burden into reusable infrastructure.
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Machine Learning
Extractable Memorization From First Principles
A. Feder Cooper, Marika Swanberg, Jamie Hayes et al. (+6 more)
Recent work on extractable memorization in
language models suffers from two contrasting validity problems. Some studies overstate extraction, for example, by using sequences too short to distinguish memorization from predictability. Others imply that extraction is unreliable evidence because models can reproduce real-world text they weren't explicitly trained on. Both overlook what makes a valid extraction claim: the model must generate a training sequence with high enough probability to indicate memorization. To determine what's high enough, one has to perform a matched comparison, measuring generation probabilities of training and comparable non-training sequences. Since non-training sequences can't have been memorized, their probabilities are a baseline for predictability; exceeding this baseline is evidence of memorization. We formalize matched comparisons with (1) a conformal test calibrated to a chosen false-positive rate when sequences are sampled from populations, and (2) a single-document census that calibrates against a matched non-training document. Matched comparisons enable rigorous, calibrated memorization claims and clarify where prior setups have validity issues. On Wikipedia, OLMo 2 32B reproduces non-training 10-
token suffixes roughly 24% as often as training ones: that share reflects false positives, not memorization. For Llama 3.1 70B on books, calibrated census thresholds reach as low as 10^(-27), supporting memorization claims for sequences no feasible sampling budget would extract. We therefore refine "extractable memorization" to require both a valid memorization claim and near-certain generation within a realistic budget.
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All authors A. Feder Cooper, Marika Swanberg, Jamie Hayes, Lea Duesterwald, Christopher De Sa, Georgios Kaissis, Daniel E. Ho, Mark A. Lemley, Percy Liang
Machine Learning
AdaPCLA: Adaptive Prior-Calibrated Logit Adjustment for Long-Tailed Longitudinal EHR Generation
Shuai Cui, Chen Wenxuan, Wenjie Du et al. (+3 more)
Generative modeling of longitudinal Electronic Health Records is increasingly important for
privacy-preserving research, yet standard autoregressive models tend to underrepresent the co-occurrence structure of tail events (i.e., diseases, symptoms), reducing the fidelity and faithfulness of generated data for rare subpopulations. To this end, we propose AdaPCLA framework, which enables generative models to adaptively fit and generate EHR data through a data distribution-aware training strategy; this is achieved by internalizing data knowledge parameters by simulated annealing training. It also supports training-free adaptation to a diverse clinical population for generation through zero-shot distribution control. Moreover, our theoretical analysis characterizes rare-code logit updates through the label-wise empirical NTK and derives a prior-internalization bound for how annealing speed and NTK conditioning affect retained prior signals. Experiments on real-world data show that AdaPCLA achieves consistent gains in tail plausibility, downstream utility, and zero-shot control; in particular, it improves TailPairSeen over
HALO by 114.2% on MIMIC-III and 65.1% on MIMIC-IV, outperforms GPT-style generation by 3.5% F1 for zero-shot cross-population adaptation.
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All authors Shuai Cui, Chen Wenxuan, Wenjie Du, Jian Lou, Dan Li, Wenjie Feng
Machine Learning
Learning Forced Multibody Dynamics on Lie Groups
Martine Dyring Hansen, Marta Ghirardelli, Elena Celledoni et al. (+2 more)
We propose an architecture for learning the dynamics of mechanical systems based on discrete forced Euler-Lagrange equations on Lie groups using only position data. By formulating the dynamics directly on
manifold-valued configuration spaces, the method naturally respects the
geometric structure of the systems and preserves
geometric invariants and conservation laws. The reliance on position measurements alone makes the framework applicable in settings where velocity data are unavailable or noisy. The approach extends naturally to multibody systems, accommodates external control inputs, and demonstrates strong performance on both synthetic and real-world
datasets.
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All authors Martine Dyring Hansen, Marta Ghirardelli, Elena Celledoni, David Martin de Diego, Brynjulf Owren
Machine Learning · Cross-listed from physics.flu-dyn
Gradient-free learning of a closed-loop wall controller for turbulent drag reduction
Giorgio Maria Cavallazzi, Miguel Pérez Cuadrado and Alfredo Pinelli
Closed-loop wall controllers learnt by multi-
agent reinforcement learning are usually trained on periodic boxes far smaller than the flows they are meant to drive, and a large part of their drag reduction is lost when they are carried across. Retraining on the target domain is not an affordable remedy: the centralised critic that assigns credit to each wall patch degrades as patches are added, the zero-net-mass constraint couples the patches it is asked to separate, and the episodes must be collected in sequence at a cost that grows with the domain. We propose instead a short gradient-free refinement stage, applied to the transferred policy on the domain it will drive. An
evolution strategy scores whole flow episodes against a regularised objective, so no credit has to be assigned to individual patches, and the candidates in a generation are independent and run in parallel. Applied to a recurrent multi-
agent policy trained on a minimal flow unit at $\Retau\simeq180$ and evaluated on a channel sixteen times larger in wall-parallel area, a few generations raise the drag reduction from $19.0\%$ to $25.7\%$, above the $22.5\%$ of opposition control. Because the policies before and after refinement share an architecture and a training history, the difference between the controlled flows follows from the refinement alone. It shows in the friction decomposition, in the Reynolds stresses and in the near-wall spectra, and the actuation moves from a weak coupling to the wall-normal velocity towards a strong coupling to the streamwise fluctuation.
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Machine Learning
The Geometry of Memorization: Finite-Time Spectral Sensitivity as a Diagnostic for Flow Matching Models
Shuchan Wang
Continuous-time generative frameworks construct probability paths between base and target domains by optimizing time-dependent velocity fields. While theoretical targets favor straight trajectories, empirical networks develop complex path deformations. This paper presents the Finite-Time Spectral Sensitivity (FTSS) g(t), a gradient-free, forward-pass metric that exposes flow geometry by tracking the root-mean-square singular value of the state-transition
matrix. Serving as a continuous proxy for stable rank, g(t) reveals a distinct
geometric pathology under data scarcity: while generalizing models maintain stable effective dimensions, overfitting causes a spectral collapse. We leverage this structural phenomenon to develop an internal
geometric audit based on g(t). Our framework detects generative memorization using purely internal trajectory dynamics, removing the need for external membership queries or baseline data comparison.
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Machine Learning
Lightweight Multi-Scale Anomaly Detection for Resource-Constrained Edge Devices
Raheen Junaid Wani and Smruti R. Sarangi
Time-series anomaly detection is increasingly important in IoT systems, sensor networks, and edge monitoring applications, where models must operate under strict constraints on
memory, latency, and power consumption. While recent deep-learning approaches have improved detection accuracy, many remain computationally expensive and often fail to capture subtle anomalies due to limited multi-scale sensitivity. Autoencoders are widely used for anomaly detection because they reconstruct normal patterns well, leading to elevated reconstruction errors for anomalous inputs. Their simplicity and efficiency also make them suitable lightweight backbones for handling multi-scale inputs. To address these challenges, we propose a Lightweight MultiScale AutoEncoder (LMSAE) network for univariate time-series anomaly detection, designed to be compact and computationally efficient. LMSAE leverages the Discrete Wavelet Transform (DWT) to extract multi-scale features and employs a multi-scale loss function to improve sensitivity to subtle or hidden anomalies. Experiments on
benchmark datasets demonstrate competitive or superior detection performance despite using significantly fewer parameters and a model size of less than 500 KB. LMSAE also achieves low-latency, low-power inference on the NVIDIA Jetson Nano, with 9x reduction in inference latency and 2x reduction in power consumption, making it ideal for edge deployment.
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Machine Learning · Cross-listed from eess.SY
Environment Parameter Gradient Theorem for Co-Design in Reinforcement Learning
Amber Srivastava
Reinforcement learning (RL) is traditionally concerned with learning a control policy for a fixed environment. In many engineering systems, however, the environment itself is alterable, i.e., physical or operational parameters can be tuned to shape the system's transition dynamics and costs experienced by the RL
agent. This motivates jointly optimizing both the policy and the environment design parameters. To this end, we establish an Environment Parameter Gradient
Theorem — a formal expression for the gradient of the RL's objective function with respect to environment parameters. The key theoretical device is a generalized action-value function $Q_{\pi,\xi}(s,a,\zeta)$, which comprises two copies of the environment parameters: $\zeta$ governs the cost and transition dynamics at the current state–action pair, while $\xi$ governs the future rollouts. This decoupling yields a tractable closed-form gradient expression and is essential to the
theorem's derivation. Building on this result, we develop a model-free
algorithm that simultaneously learns the optimal policy and the environment parameters. We demonstrate the efficacy of our framework on a
UAV network design problem, where the optimal
UAV placement (environment parameters) and communication routes (governed by the policy) are learned jointly to minimize the total communication cost in the network.
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Machine Learning · Cross-listed from math.NA
Deep Learning-based Surrogate Modelling of the LOD Method for Multiscale Problems
Marc Haltmayer, Jaemin Seo, Yuseung Lee et al. (+3 more)
Multiscale problems are notoriously difficult to tackle using traditional numerical methods, as accurately resolving fine-scale features often requires prohibitively fine discretizations. This challenge is particularly pronounced in applications such as materials science, fluid dynamics,
climate systems, chemical processes, and complex networks. Recent neural operator models provide a promising data-driven alternative, but frequently struggle to achieve sufficient accuracy in the presence of strongly heterogeneous or oscillatory coefficients. In this work, we focus on the solution of
elliptic PDEs with rough and high-contrast inputs. The Localized Orthogonal Decomposition (LOD) method is a well-established numerical approach for such problems, but it comes, however, at a substantial computational cost. We investigate the performance of popular neural operator architectures on these challenging multiscale problems and identify key limitations in their ability to resolve fine-scale structure. To overcome these challenges, we introduce LOD-MSNO (LOD-Multiscale Neural Operator), a hybrid approach that leverages the LOD method as a strong multiscale prior by building on its representation of the solution as a linear combination of problem-adapted basis functions, while addressing its main computational bottlenecks through data-driven operator learning. We further provide theoretical error estimates for the proposed coefficient-learning framework. Lastly, we demonstrate the potential of our proposed method to outperform current neural operator baselines in terms of accuracy for challenging multiscale inputs, while mainly retaining the computational efficiency of neural operator models.
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All authors Marc Haltmayer, Jaemin Seo, Yuseung Lee, Sungyeop Lee, Jaehoon Jeong, Jae Yong Lee
Machine Learning
A JoLT for the KV cache: Near-Lossless KV Cache Compression via Joint Rank-bit Allocation
Rahul Krishnan and Volker Schulz
The key-value (KV) cache is the dominant
memory bottleneck in long-context
language model inference. Existing compression methods apply low-rank factorization or quantization independently, without jointly allocating rank and precision under a shared storage budget. We introduce JoLT, a training-free compressor that treats grouped prefill caches as fourth-order tensors and applies partial Tucker decomposition along the
token and feature modes, the two axes that carry low-rank structure, while leaving the head and layer modes intact. A rotated low-bit quantizer captures the truncation residual, and a single Lagrangian dual allocates per-group Tucker ranks and residual bit-widths under a global byte constraint. FlashJoLT replaces the exact
token-mode SVD with a randomized approximation that matches JoLT within the free zone at a fraction of the compression cost, and a fused Triton decode kernel evaluates
attention directly over the stored factors without materializing dense KV tensors. Across five models from four architecture families, covering multi-head
attention, grouped-query
attention, and mixture-of-experts architecture, JoLT achieves 2 - 3x compression with less than 0.2% perplexity degradation, without retraining. On RULER at 64K context with LLaMA-3.1-8B,
retrieval accuracy remains near-lossless through 3x and declines by only 0.90 and 2.40pp at 4x and 5x, respectively. JoLT demonstrates that tensor-aware low-rank decomposition and quantized residuals, unified under a single storage budget, achieve near-lossless KV-cache compression across diverse model architectures without retraining.
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Machine Learning · Cross-listed from cs.RO
Mind the Gap: Promises and Pitfalls of Hierarchical Planning in LeWorldModel
Niccolò Caselli, Francesco Massafra, Samuele Punzo et al. (+3 more)
We investigate whether temporal hierarchy can improve LeWorldModel on long-horizon goal-conditioned control. We introduce Hi-LeWM, an extension that freezes the pretrained low-level LeWM and adds high-level planning over latent subgoals. We evaluate Hi-LeWM on PushT and Cube across increasing goal offsets. Hierarchy does not automatically improve performance: at short horizons, the best configuration uses a one-step high-level horizon, while longer horizons reveal a mismatch between the learned high-level action space and the inference-time search distribution. Experiments with true future latent subgoals show that the frozen low-level controller can execute well-aligned intermediate targets, indicating that high-level subgoal generation is the main bottleneck. Unconstrained search can select latent macro-actions that appear favorable under the learned model but produce poor control targets. Constraining search around macro-actions encoded from training trajectories, with appropriate subgoal execution timing, recovers useful hierarchical regimes, improving over flat LeWM by +11.3 percentage points at medium-range horizons and +14.7 percentage points at the longest PushT horizon. Overall, temporal abstraction can benefit compact frozen LeWM, but only when high-level search remains compatible with the low-level controller
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All authors Niccolò Caselli, Francesco Massafra, Samuele Punzo, Salvatore Lo Sardo, Ippokratis Pantelidis, Sathya Kamesh Bhethanabhotla
Machine Learning
From Preimage Search To Source-Grounded Feature Inversion
Kaixiang Shu
Interpreting a neural network requires understanding what its internal features extract from a particular input. Feature inversion seeks to express a selected feature in the input domain, but canonical iterative methods search for an input whose re-encoded representation matches the target. Because many inputs can satisfy this constraint, target matching alone does not specify the inverse associated with the sample that generated the feature. We formulate source-grounded feature inversion by conditioning the inverse on the source-local network geometry at the target-generating input. At each boundary of the computational DAG, backpropagation provides the correct reverse dependencies but transports an adjoint signal rather than an upstream-state estimate. We locally repair this signal with a closed-form
matrix Wiener map from a mean-seed VJP to the upstream state, followed by a second Wiener map for the JVP forward-consistency residual, and compose the repaired states through the same DAG in one finite reverse pass. One calibrated zero-intercept map family supports new inputs, depths, channels, and channel groups across diverse CNN and
Transformer architectures, tensor components, and visual distributions without query-specific optimisation. Matched target and source controls verify that each inverse depends on the selected feature and the local operators of the sample being explained, rather than a target-independent image template. Prediction-conditioned feature atlases align these visualisations with independent interventions on the corresponding internal features. Together, source-grounded feature inversion opens the model's hidden feature hierarchy to inspection at the level of individual layers and channels, linking what the network extracts from an input to the internal evidence that shapes its decision.
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Machine Learning
OOD-RL-Bench: A Benchmark Framework for Out-of-Distribution Detection in Reinforcement Learning
Emil Mittag, Richard Dazeley and Peter Vamplew
Reliable reinforcement learning (RL)
agents must maintain operational integrity amidst sensor malfunctions, dynamic disturbances, and slow environmental shifts. The detection of out-of-distribution conditions is pivotal to determining when an
agent's observations, transitions, or trajectory dynamics deviate from the assumptions underpinning its policy training. Current out-of-distribution (OOD) detection
benchmarks typically evaluate image classifiers or static low-dimensional
datasets, failing to account for the complex, action-dependent temporal structure inherent in RL trajectories. To address this gap, we present OOD-RL-Bench, a comprehensive and extensible framework designed to evaluate OOD detectors against categories of anomalies injected into RL trajectories. Detectors and anomaly injectors are integrated through shared interfaces and configuration, which allows new scoring methods and perturbation families to be evaluated without modification of the core
benchmark loop. We evaluate the utility of the framework using a Deep Q-Network policy within the LunarLander-v3 environment. We assess the performance of each detector across a suite of anomaly types using matched-time AUROC, matched-time AUPRC, matched-time false-positive rate, detection delay, and segmented-onset metrics. Our analysis reveals significant performance variance across anomaly types: observation perturbations and regime switches are identified with high accuracy by several methods, while observation delay and action-conditioned dynamics remain difficult even when post-onset anomaly scores are compared against clean scores from the same timesteps. We make the framework, trained policy checkpoint, and complete results publicly available as a reproducible artefact.
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Machine Learning
Gauge-Fixing the Forward-Forward Objective: A Whitened Goodness Derived from a Likelihood-Ratio Account
Paolo Giannitrapani
The Forward-Forward
algorithm trains each layer locally, so that a scalar goodness - the sum of squared activations - is high on real inputs and low on contrastive ones. Under an explicit generative model this goodness is the sufficient statistic of a likelihood-ratio test, and the pairwise form of the objective admits a gauge: a layer can lower its loss by inflating the scale of its weights rather than by separating the two populations. The analysis prescribes the repair - a whitened, scale-invariant goodness trained online within each layer - which we evaluate as a training procedure. Across three corpora, three depths and a fourfold range of layer width (13 seeds per
cell), it raises linear-probe accuracy over the standard pairwise objective in every measured
cell - by 4 to 7 points on eight of nine corpus-depth combinations - and closes 16-61% of the gap to end-to-end backpropagation. A control isolates the mechanism: Hinton's fixed-threshold loss also bounds the runaway, to a factor of 1.4 against 133, yet tracks the unmodified baseline - invariance to the gauge, not a bound on it, is what pays. Against the strongest published alternative - a sparse, top-k goodness - the derived objective is statistically indistinguishable on two corpora of three, yet only it removes the runaway: sparsity and gauge-invariance are independent axes, and the published variant recovers accuracy while leaving the pathology in place. We state the boundaries we measured, and every prediction was recorded before its experiment with the refutations reported.
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Machine Learning
Adversarial Attacks on Online Handwriting using Salience-based Temporal Editing
Yataro Tamura, Brian Kenji Iwana and Jiseok Lee
Deep learning models for online handwriting recognition have been shown effective and are increasingly deployed in practical applications. However, their vulnerability to
adversarial attacks is still a challenge. Existing
adversarial methods are predominantly designed for image-based inputs and typically rely on additive spatial perturbations. When applied to online handwriting, which is inherently represented as a time series of pen trajectories, such perturbations often introduce high-frequency jitter and visibly unnatural stroke artifacts. In this work, we propose a novel
adversarial attack framework for online handwriting recognition based on salience-guided temporal editing. Instead of adding noise, the proposed method generates
adversarial examples by inserting and deleting points at time steps selected according to temporal salience, preserving the shape and smoothness of the original handwriting. Temporal salience is estimated using gradient-based activation mapping, which guides edits toward time steps that strongly support the original class prediction. We evaluate the proposed approach on the Unipen and CASIA-OLHWDB
datasets under both white-box and one-shot black-box attack settings. Experimental results demonstrate that while conventional image-based attacks achieve strong white-box performance, they exhibit poor transferability across models. In contrast, the proposed temporal editing attack achieves stronger one-shot black-box transferability while preserving the visual structure of the handwriting. These results indicate that temporal editing is a relevant threat model for online handwriting recognition, particularly in one-shot black-box transfer settings.
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