Machine Learning · Cross-listed from cs.CV
EERLoss: A Novel Loss Function for Training Deep Biometric Models. A Case Study in Keystroke Dynamics
Nahuel Gonzalez, Marta Robledo-Moreno, Ivan DeAndres-Tame et al. (+2 more)
Deep learning approaches to biometric verification are commonly trained by optimizing indirect objectives, creating a misalignment between the optimization process and the primary evaluation metric, typically the Equal Error Rate (EER). This paper introduces EERLoss: a subdifferentiable, arbitrarily accurate approximation to EER for training deep biometric models. Furthermore, this framework has the potential to be adapted to optimize any specific operating point on the DET curve, enhancing its generalizability. To validate this approach, EERLoss is evaluated on a particularly demanding behavioral biometric modality: keystroke dynamics verification. This task is characterized by its high intra-class and low inter-class variability. Experiments are conducted on the large-scale KVC-onGoing
benchmark, incorporating data from over 185,000 subjects across different scenarios. A comprehensive ablation study initially demonstrates the superiority of EERLoss in comparison to existing state-of-the-art loss functions. It also converges substantially faster compared to other losses, reducing the overall training cost. Additionally, a comparison is made between the proposed loss and the KVC-winning architecture by re-training it with EERLoss, demonstrating that the proposed approach significantly outperforms the original SoTA, achieving a relative EER reduction of up to approx. 30%. This improvement on a challenging, large-scale
benchmark validates the effectiveness of EERLoss as a task-aligned training objective specifically suited for high-variance biometric traits.
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All authors Nahuel Gonzalez, Marta Robledo-Moreno, Ivan DeAndres-Tame, Ruben Vera-Rodriguez, Ruben Tolosana
Machine Learning
Reasoning as Attractor Dynamics: Latent Memory Retrieval via Gibbs-Weighted Energy Minimization
Kanishk Awadhiya
Large
Language Models (LLMs) are traditionally viewed as autoregressive generators. However, from the perspective of collective computation, they function as high-dimensional Dense Associative
Memories that store complex
reasoning patterns as latent attractors. In this work, we investigate the energy landscape of mathematical
reasoning. We posit that correct
reasoning chains correspond to deep, wide attractor basins ("flat minima") in the model's output distribution, whereas
hallucinations manifest as sharp, unstable local minima. To exploit this geometry, we introduce a
retrieval mechanism based on a Gibbs measure of the trajectory's spectral
entropy. By sampling multiple
reasoning paths and weighting them by their inverse energy ($P \propto e^{-\beta E}$), we approximate the
equilibrium distribution of the associative
memory, effectively “relaxing” the system into a robust solution. Empirically, this physics-inspired mechanism improves Microsoft Phi-3.5 performance on GSM8K by 5.38% (84.7% $\to$ 90.1%), demonstrating that inference is better modeled as a dynamic settling process into an attractor basin rather than greedy next-
token prediction.
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Machine Learning
A Fair Evaluation of Graph Foundation Models for Node Property Prediction
Oleg Platonov, Gleb Bazhenov, Dmitry Eremeev et al. (+1 more)
Due to the wide use of graph-structured data in different fields of industry and science, the development of Graph Foundation Models (GFMs) has recently attracted a lot of
attention. While many different types of models are called GFMs, particular interest has been paid to GFMs designed for node property prediction tasks, which is one of the most popular settings in Graph ML with lots of real-world applications from fraud detection in financial and social networks to recommendation systems for e-commerce and user-generated content platforms. While a number of GFMs for this task have been recently proposed, the field has not converged to a unified evaluation setting, and different works evaluate their models in widely different ways, preventing reliable comparison of GFMs with each other and with other types of models. In this work, we conduct a fair and rigorous reevaluation of 9 recent GFMs for node property prediction, comparing them to strong Graph Neural Network (GNN) baselines. We find that, among these GFMs, only the most recent ones based on the Prior-data Fitted Networks paradigm outperform well-tuned GNNs in predictive performance, although at a higher inference cost.
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All authors Oleg Platonov, Gleb Bazhenov, Dmitry Eremeev, Liudmila Prokhorenkova
Machine Learning · Cross-listed from cs.DC
CrossPool: Efficient Multi-LLM Serving for Cold MoE Models through KV-Cache and Weight Disaggregation
Zhuoren Ye, Tianyu Wo, Dinghao Xue et al. (+4 more)
Emerging LLM services increasingly host many sparse MoE models, yet most models receive sparse requests and remain cold. This creates a GPU
memory problem: model weights are stable and model-determined, while KV-cache is transient and demand-determined. Because cold models rarely reach peak KV-cache demand at the same time, reserving worst-case KV capacity per model wastes
memory; a shared KV-cache pool can instead provision aggregate active demand. However, KV-cache sharing is not sufficient when weights and KV-cache remain in a monolithic GPU
memory pool. Static weights compete with dynamic KV-cache, and KV-head-limited
attention under cold, low-concurrency traffic exposes only a fraction of replicated KV capacity, leading to low GPU
memory utilization and weak long-context support. We present CrossPool, a serving engine for cold MoE models that separates FFN weights and KV-cache into two GPU
memory pools: a weights pool that consolidates FFN weights across cold models, and a KV-cache pool that dynamically serves active requests while keeping
attention local to KV-cache. CrossPool combines a KV-cache planner and virtualizer, a layer-wise pipeline scheduler that hides hidden-state transfers, and persistent kernels with control lowering to reduce CPU-GPU control overhead. With efficient GPU
memory pooling, CrossPool underpins bursty long-context requests and outperforms the state-of-the-art kvcached-based multi-LLM serving system, reducing P99 TBT by up to 10.4x.
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All authors Zhuoren Ye, Tianyu Wo, Dinghao Xue, Mingming Zhang, Yuchen Teng, Chunming Hu, Renyu Yang
Machine Learning
An LLM-based Two-Stage Transformer Framework for Cross-Domain Bearing Fault Diagnosis with Limited Data
Jinghan Wang, Feng Cheng, Wentao Wu et al. (+3 more)
Bearing fault diagnosis faces critical challenges when
dataset heterogeneity, operating condition variations, and limited labeled data occur simultaneously in industrial environments. Existing approaches address these issues in isolation and rely on implicit feature
alignment, limiting effectiveness under concurrent challenges. This paper proposes a knowledge-guided two-stage transfer learning framework that employs a lightweight GPT-2-style
Transformer with causal self-
attention for hierarchical feature extraction from vibration signals, establishing explicit pathways where pre-trained encoder weights and fault prototype
embeddings serve as knowledge carriers from multi-source pre-training to target adaptation. The framework addresses the dual-shift challenge through multi-source learning for generalizable representations, prototype-based knowledge modulation for target adaptation, and taxonomy-adaptive classification for seamless transfer across heterogeneous fault categories. Experimental validation on four real-world
datasets demonstrates 92.61% average accuracy with only 10% labeled target data, outperforming state-of-the-art methods by 17.24 percentage points, establishing a practical pathway toward cost-effective predictive maintenance in Industry 4.0 applications.
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All authors Jinghan Wang, Feng Cheng, Wentao Wu, Hang Li, Gaoliang Peng, Tianchen Liu
Machine Learning · Cross-listed from astro-ph.EP
An Agnostic Machine Learning Model of Photosynthetic Habitability
Callum Gray, Cassandra Hall, Stefano Santabarbara et al. (+5 more)
The search for
exoplanet biosignatures is guided by whether planetary environments can sustain photosynthesis. As such, the Photosynthetic Habitable Zone (PHZ) was recently proposed, as the overlap between the canonical habitable zone and the orbital range where
stellar irradiance is sufficient to drive photosynthesis. Existing PHZ estimates rely on empirical light-response curves from Earth phytoplankton, and thus include implicit Earth-centric biases. We introduce an agnostic PHZ derived from a generalized model of photosynthesis grounded in thermodynamics and redox chemistry, without reference to model organisms. The model is built on a generic photochemical reaction in which
photon capture couples oxidation of a donor molecule to the reduction of CO2. The optical properties and CO2 reduction rate are optimized against irradiance spectra for
exoplanets orbiting main-sequence
stars, using a genetic
algorithm that mimics
evolution by natural selection. Our simulations predict that photosynthetic organisms compensate for reduced flux by evolving larger light-harvesting structures. As a result, photosynthetic viability declines only linearly with orbital distance, despite
stellar flux falling off quadratically. As such, the agnostic PHZ expands well beyond previous Earth-based estimates. Earth-like (visible light) oxygenic photosynthesis is flux-limited at the outer habitable zone for cool M-
dwarf stars; however, both anoxygenic photosynthesis and a hypothetical, NIR-driven oxygenic photosynthesis are viable across the entire habitable zone for M, K, and G
stars. This implies that M-
dwarf exoplanets could sustain robust oxygenic photosynthesis, though it would be different to that found on Earth, presenting reflectance biosignatures in the NIR band rather than the visible.
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All authors Callum Gray, Cassandra Hall, Stefano Santabarbara, Klaus Schmidt-Rohr, Andrew Ringham, Edward Gillen, Thomas J. Haworth, Christopher D. P. Duffy
Machine Learning · Cross-listed from cs.CV
MedPCFM: Improving Medical Point Cloud Completion by Integrating Point Transformers and Flow Matching
Kamil Kwarciak and Marek Wodzinski
Medical point cloud completion is important for anatomical reconstruction and downstream clinical workflows, yet generative modeling in this setting remains insufficiently studied. We investigate completion through continuous-time generative modeling and introduce PCFM, a PTv3-backed flow matching approach for medical point cloud completion. We evaluate on SkullFix and SkullBreak, and additionally on the more recent Mandibular Defect
dataset. We build strong baselines by adapting PTv3 to a deterministic encoder-decoder completion model and by instantiating
diffusion completion (PCDiff) with both PVCNN and PTv3 denoisers. PCFM with PTv3 is competitive with the deterministic PTv3 baseline and achieves state-of-the-art generative performance across
datasets, while requiring substantially fewer sampling steps than
diffusion. At the best operating points, PTv3 also yields clear throughput gains, providing up to a 7$\times$ speed-up for PCFM compared to a PVCNN backbone. Finally, we study empirical scaling trends by varying model size and point cardinality, showing consistent gains with higher point resolution and informative trade-offs across model scales.
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Machine Learning
Data Augmentation: A Fourier Analysis Perspective
Behrooz Tahmasebi, Melanie Weber and Stefanie Jegelka
Data augmentation is a simple and model-agnostic approach for exploiting known invariances in learning problems. Given a group acting on the input space, one augments the training set with transformed copies of each sample. Because it exploits
symmetries without modifying the underlying learning
algorithm, data augmentation can be applied broadly across learning methods. However, this universality comes at a computational cost: when the group is large, full group-sized augmentation quickly becomes computationally infeasible. This raises a fundamental question: Can partial data augmentation achieve the same statistical benefits as full augmentation in terms of generalization and sample complexity? We develop a general framework for investigating this question using
Fourier analysis and the representation theory of finite groups. We show that, for a broad class of classical learning problems, partial data augmentation based on a randomly sampled subset of group elements achieves the same minimax rates as full augmentation, up to an approximation error that vanishes as the subset size increases. Our results provide a theoretical explanation for why partial augmentation can retain the statistical benefits of full augmentation despite enforcing
symmetry only approximately, and shed light on a recently raised question in learning with
symmetries: whether statistically optimal learning under general group invariances can be achieved using computationally scalable methods. Moreover, we prove a complementary impossibility result: enforcing exact invariance via data augmentation requires averaging over the entire group, and cannot be achieved by any strict subset when the hypothesis space is sufficiently expressive. Together, these results provide a unified perspective on full and partial data augmentation, as well as exact and approximate
symmetry enforcement.
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Machine Learning
Natural Identifiers for Privacy and Data Audits in Large Language Models
Lorenzo Rossi, Bartłomiej Marek, Franziska Boenisch et al. (+1 more)
Assessing the
privacy of large
language models (LLMs) presents significant challenges. In particular, most existing methods for
auditing differential
privacy require the insertion of specially crafted canary data during training, making them impractical for
auditing already-trained models without costly retraining. Additionally,
dataset inference, which audits whether a suspect
dataset was used to train a model, is infeasible without access to a private non-member held-out
dataset. Yet, such held-out
datasets are often unavailable or difficult to construct for real-world cases since they have to be from the same distribution (IID) as the suspect data. These limitations severely hinder the ability to conduct scalable, post-hoc audits. To enable such audits, this work introduces natural identifiers (NIDs) as a novel solution to the above-mentioned challenges. NIDs are structured random strings, such as cryptographic hashes and shortened URLs, naturally occurring in common LLM training
datasets. Their format enables the generation of unlimited additional random strings from the same distribution, which can act as alternative canaries for audits and as same-distribution held-out data for
dataset inference. Our evaluation highlights that indeed, using NIDs, we can facilitate post-hoc differential
privacy auditing without any retraining and enable
dataset inference for any suspect
dataset containing NIDs without the need for a private non-member held-out
dataset.
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All authors Lorenzo Rossi, Bartłomiej Marek, Franziska Boenisch, Adam Dziedzic
Machine Learning · Cross-listed from cs.RO
RE4: Transformation-aware Imitation of Object Interactions Using Manipulation Modes
Arsh Chawla and Rahul Shome
Object interaction tasks have been a focus of advances in imitation learning. End-to-end methods, dominated by generative variants have shown leaps in performance but tend to be black boxes. Recent indications hint at demonstration lookup as the operating process underneath generative policy performance. In this paper, we revisit a few modern imitation learning
benchmarks for object interactions, with the aim of composing a simple framework from first principles. We repurpose theories of manipulation modes and apply them to retrieve and transform demonstration
datasets, creating a minimal strategy that preserves performance and robustness while remaining interpretable. We identify pose estimation as a key module that governs information about the object. This informs a manipulation mode-aware
retrieval of a demonstration, a mode-aware transformation, a replan step that connects to the
retrieval point while preserving mode constraints, returning a transformed demonstration for rollout. These compose four key steps of the proposed RE4 framework, evaluated over state-based and image-based
benchmarks in simulated Push-T, Robomimic, and MimicGen as well as a real
robot experiment. Robustness is measured in an
adversarial study that evaluates sparse data regimes, a study with visual distractors, and the addition of an obstructing collision geometry. RE4 outperforms baselines, while notably preserving interpretability. The results overwhelmingly motivate the benefits of identifying simple interpretable building blocks to learn manipulation skills for object interactions.
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Machine Learning
Parallel Manifold Steering: Efficient Adaptation of Large Associative Memories via Residual Energy Shaping
Kanishk Awadhiya
Large
Transformer models function as Dense Associative
Memories (DAMs), retrieving knowledge via high-dimensional attractor dynamics driven by the self-
attention mechanism \citep{ramsauer2020hopfield, wu2024
attention}. However, adapting these frozen
memory systems to new tasks presents a fundamental “Plasticity-Stability” dilemma. Current methods either risk catastrophic interference by modifying synaptic weights directly (e.g., LoRA) \citep{hu2021lora} or degrade associative capacity by clogging the
retrieval buffer with static
prompt tokens (e.g., VPT) \citep{jia2022vpt}. In this work, we propose H-Res (Hierarchical Residual Steering), a mechanism that modulates the effective energy landscape of the
Transformer without altering its global
equilibrium or expanding its sequence length. By formulating adaptation as a control problem on the activation
manifold \citep{chen2018neuralode}, H-Res learns a state-dependent vector field that steers
token trajectories into task-specific basins of attraction. We formally prove that H-Res preserves the
attention entropy of the foundation model and facilitates Neural Collapse \citep{papyan2020prevalence}. Empirically,
Manifold Steering outperforms global weight modification by 26% on associative
retrieval tasks and eliminates the computational overhead of
prompt-based methods, scaling effectively to structured domains \citep{zha2023vtab}.
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Machine Learning · Cross-listed from cs.AI
Simone Gallivanone, Hossein Khodadadi, Mauro Dore et al. (+2 more)
We introduce a large-scale, open-source
dataset of pre-generated
adversarial attacks for
vision-
language models (VLMs). The
dataset is designed to be diverse, representative, and practical, extending existing
benchmarks by covering 10 high-level categories and 55 subcategories of harmful intents. Our primary goal is to make
adversarial data accessible to the research community, given the computational cost and complexity of generating large numbers of attacks. The
dataset comprises 47 524
adversarial samples, generated using state-of-the-art attack strategies from recent literature. Our work complements existing efforts by consolidating and extending prior
benchmarks from multiple established sources, resulting in 7 826 intents, and introduce an additional category to broaden coverage. This provides realistic evaluation resources for studying model robustness and
alignment. Our
dataset intends to enable researchers and practitioners to systematically evaluate the robustness and safety of VLMs, fine-tune attack-generation models, and develop or stress-test defensive guardrails under diverse
adversarial conditions. By releasing this resource, we aim to lower the barrier to
adversarial research and foster more reproducible, comprehensive, and comparable evaluations of VLM safety.
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All authors Simone Gallivanone, Hossein Khodadadi, Mauro Dore, Mauro Medda, Nicola Franco
Machine Learning · Cross-listed from cs.CV
Open-Vocabulary BEV Segmentation with 3D-Aware Geometric Constraints
Hojun Choi, Seulbin Hwang, Daejung Kim et al. (+3 more)
Bird's-eye view (BEV) perception fuses multi-camera images into a unified top-down representation for autonomous driving. Despite recent progress, state-of-the-art methods remain confined to closed-set scenarios, making them vulnerable to unpredictable real-world environments. In this work, we introduce open-vocabulary BEV
segmentation (OVBS), which leverages
vision-
language models (VLMs) to recognize categories beyond the training set while maintaining precise BEV perception and real-time efficiency. A key challenge in OVBS lies in the 3D
geometric inconsistency inherent in the ill-posed lifting of 2D VLM semantics into BEV. To address this, we propose OVBEVSeg, a geometry-aware OVBS framework that enhances efficient Gaussian splatting (GS)-based unprojection by leveraging robust 3D
geometric constraints across three progressive stages: (1) 2D-to-BEV pseudo-labeling via reliable 3D projection for OV generalization; (2) joint 2D-BEV per-scene optimization with BEV structural constraints for 3D
geometric consistency; and (3) 3D
geometric distillation for online efficiency. On the nuScenes
dataset, OVBEVSeg achieves state-of-the-art performance, outperforming closed-set methods by 15.3 mIoU on unseen categories. Remarkably, even with no novel-class ground-truth labels, it remains competitive with self- and semi-supervised baselines trained with up to 40% of ground-truth annotations. Furthermore, it achieves 2.5x faster inference with only 0.22x the
memory consumption of projection-based methods. Project page: https://hchoi256.github.io/projects/ovbevseg/.
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All authors Hojun Choi, Seulbin Hwang, Daejung Kim, Kisung Kim, Hyunjung Shim, Jinhan Lee
Machine Learning
Managing Task Execution for Unknown Workloads in Batteryless IoT: A Hardware-Agnostic Evaluation
Samer Nasser, Henrique Duarte Moura, Ritesh Kumar Singh et al. (+2 more)
In recent years, the Internet of Things (IoT) paradigm has been shifting toward batteryless, energy-harvesting architectures. Sustaining reliable operation in these systems requires intelligent management of highly volatile stored energy. As edge applications grow in complexity, traditional energy-aware schedulers struggle with unpredictable workloads due to their reliance on static execution thresholds or pre-measured, hardware-specific task profiles. To overcome this, we propose two novel, hardware-agnostic dynamic scheduling strategies treating applications as a "black box," requiring no prior energy information: a model-free Reinforcement Learning (RL)
agent and an on-the-fly Approximated Prediction (AP) method. We evaluate these methods against an adaptive task rate approach (AsTAR) and optimized static thresholds using a custom-built, physically accurate simulation framework driven by real-world
solar data and dynamic LoRa transmission profiles. Rather than claiming universal superiority, our analysis exposes the distinct operational trade-offs of each method: the AP approach delivers lightweight, near-oracle task throughput; the RL
agent provides tunable survival-execution balancing; and AsTAR excels at execution pacing across long energy gaps. Finally, we demonstrate that while these advanced strategies provide critical resilience for severely constrained systems with small capacitors, devices with larger energy buffers can efficiently rely on simpler, less computationally expensive static policies.
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All authors Samer Nasser, Henrique Duarte Moura, Ritesh Kumar Singh, Maarten Weyn, Jeroen Famaey
Machine Learning · Cross-listed from eess.SP
PROTECT-90: A Fault Dataset for Power System Protection
Julian Oelhaf, Georg Kordowich, Christian Bergler et al. (+3 more)
The increasing interest in data-driven methods for power system protection is accompanied by a lack of standardized, publicly available high-voltage waveform
datasets that enable transparent and reproducible evaluation. To address this gap, this paper introduces the PROTECT-90
dataset, an open electromagnetic transient (EMT)-simulated reference
benchmark for high-voltage fault studies with consistent digital-fault-recorder-like measurements, publicly released with this work. The
dataset comprises 9,022 physically consistent short-
circuit simulation episodes generated on a standardized 90 kV double-line
topology with systematically documented domain randomization of grid operating points, line parameters, and fault conditions. For each episode, synchronized three-phase voltage and current waveforms are recorded at eight measurement locations and released together with structured, machine-readable metadata describing fault type, fault location, inception time, and operating conditions. All modeling assumptions, parameter ranges, and data-generation procedures are explicitly documented to ensure transparency and cross-study comparability. By combining physically grounded EMT simulation, balanced scenario coverage, and open accessibility, PROTECT-90 establishes a standardized foundation for reproducible benchmarking of protection-oriented signal processing and learning-based methods.
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All authors Julian Oelhaf, Georg Kordowich, Christian Bergler, Andreas Maier, Johann Jäger, Siming Bayer
Machine Learning · Cross-listed from math.NA
Deep numerical schemes for systems of Ergodic BSDEs with applications to regime-switching forward utilities
Guillaume Broux-Quemerais, Sarah Kaakai, Anis Matoussi et al. (+1 more)
In this paper, we introduce two neural-network-based numerical schemes for solving systems of coupled ergodic Backward
Stochastic Differential Equations (eBSDEs), motivated by the approximation of optimal strategies within the framework of forward utilities in a regime-switching
stochastic factor model. Our approach builds on the representation of such models through systems of eBSDEs introduced in [HLT20]. We first establish a link between the solution of the system of ergodic BSDEs and that of an associated multidimensional BSDE with random terminal time, given by the hitting time of the positive recurrent
stochastic factor. Building on this representation, we introduce a locally additive deep learning scheme obtained by minimizing aggregated local error terms. We then present a new Deep Galerkin Method (DGM) inspired
algorithm that minimizes the residual of the associated ergodic PDE system, relying on a representation of the ergodic cost. Finally, we apply this framework to regime-switching forward utilities in a
stochastic factor model. We first derive a general consistency SPDE that characterizes regime-switching forward utilities and retrieve their representation with systems of ergodic BSDEs in the homothetic case. Numerical experiments demonstrate the performance of the proposed methods, with a particular focus on the impact on forward preferences of taking into account regime switches.
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All authors Guillaume Broux-Quemerais, Sarah Kaakai, Anis Matoussi, Wissal Sabbagh
Machine Learning · Cross-listed from cs.CV
MotifGen: Spatiotemporal interpolation of misaligned satellite images via multi-source generative modeling, in an application to tropical cyclones
Clément Dauvilliers and Claire Monteleoni
Microwave satellite imagery plays a crucial role in monitoring tropical cyclone precipitation and intensity worldwide, but suffers from long revisit times, potentially missing rapid storm
evolution phases. While this raises the need for an interpolation method, it is made challenging by the high level of heterogeneity of microwave data coming from different instruments. In this work, we introduce the first generative model that can be applied to multiple geospatial sources that change across samples, occur at irregular time intervals, are misaligned geographically, and come from instruments with varying characteristics. We apply this model to the case of spatio-temporal interpolation of tropical cyclone microwave images from other microwave and infrared instruments. We train using a self-supervised task in which a random source is masked and reconstructed, and show that it leads to a significant decrease in Continuous Ranked Probability Score over supervised training. We show a further improvement by combining infrared and microwave data compared to microwave only. Using these improvements, the generative model produces an ensemble mean on par with that of a deterministic model, while generating a power spectrum significantly closer to that of true observations. To the best of our knowledge, this is the first generative model that interpolates microwave images of cyclones by combining multiple microwave instruments and infrared observations at irregular time intervals.
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Machine Learning · Cross-listed from stat.ML
Automated Residual Plot Assessment With the R Package autovi and the Shiny Application autovi.web
Weihao Li, Dianne Cook, Emi Tanaka et al. (+2 more)
Visual assessment of residual plots is a common approach for diagnosing linear models, but it relies on manual evaluation, which does not scale well and can lead to inconsistent decisions across analysts. The lineup protocol, which embeds the observed plot among null plots, can reduce subjectivity but requires even more human effort. In today's data-driven world, such tasks are well suited for automation. We present a new R package that uses a computer
vision model to automate the evaluation of residual plots. An accompanying Shiny application is provided for ease of use. Given a sample of residuals, the model predicts a visual signal strength (VSS) and offers supporting information to help analysts assess model fit.
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All authors Weihao Li, Dianne Cook, Emi Tanaka, Susan VanderPlas, Klaus Ackermann
Machine Learning
Project Ariadne: Prompt-Conditioned Route Generation for Synthesis Planning
Anton Morgunov and Victor S. Batista
Retrosynthetic planning seeks to connect a target molecule to commercially available starting materials through a multistep route. Classical planners construct such routes by iteratively applying single-step reaction models within a search procedure; constrained variants often require specialized
algorithms or architectural changes. Direct route generation reframes retrosynthesis as sequence generation, but existing direct-generation methods still train separate models for different planning specifications. We introduce Ariadne, a decoder-only route generator that represents the target, optional constraints, and route in one
prompt-completion sequence. On the RetroCast/PaRoutes mkt-cnv-160
benchmark family, one 24-layer checkpoint follows route-depth and required-starting-material
prompts: adding the corresponding
prompt fields raises Solv-0 by 13.7 points for depth constraints and 31.2 points for required-leaf constraints. Ariadne also improves over DESP, a bidirectional search planner, on required-leaf Top-10 and Solv-0 in 24 GPU-minutes versus 6.8 GPU-hours. On standard reconstruction, Ariadne is comparable to DMS Explorer XL at about half the reported inference time. Across additional target-only
benchmarks, Ariadne's clearest gains are on route-holdout reconstruction, whereas AiZynthFinder MCTS remains stronger on several Solv-0 comparisons. These results extend sequence generation from specialist retrosynthesis models to
prompt-conditioned structural route generation. We release the codebase and training scripts to support further work, but do not introduce Tier-1–3 route checkers; those remain the main bottleneck before models of this kind can become useful to experimental chemists.
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Machine Learning
Lightweight Transformer Models for On-Device Fault Detection: A Benchmark Study on Resource-Constrained Deployment
Disha Patel
On-device fault detection enables real-time diagnostics without cloud dependency, but deploying machine learning models on resource-constrained hardware demands careful tradeoffs between accuracy, latency, and model size. We present a
benchmark comparing traditional ML methods (Random Forest, XGBoost, SVM, Logistic Regression) against lightweight
transformer architectures (DistilBERT, TinyBERT-6L, TinyBERT-4L, MobileBERT) for binary fault detection across three public
datasets: NASA C-MAPSS turbofan degradation, SECOM
semiconductor manufacturing, and UCI AI4I 2020 predictive maintenance. We evaluate classification performance (F1-score, AUC), model size, and CPU inference latency, and further assess INT8 dynamic quantization and a two-stage adaptive inference pipeline. Our results reveal that on well-separated sensor data (C-MAPSS), lightweight
transformers match traditional ML at 87.8% F1 but at 100x the model size and 9000x the latency. TinyBERT-4L emerges as the most deployment-friendly
transformer at 55 MB and 18 ms CPU latency. INT8 quantization reduces size by 25% while preserving 86.9% F1. Our adaptive pipeline, routing 97.9% of predictions through a quantized triage model and only 2.1% to a larger expert, achieves 87.6% F1 at 19.5 ms average latency. On severely imbalanced
datasets (SECOM, UCI-PM), both traditional and
transformer methods struggle significantly, highlighting fundamental limitations of current approaches for extreme class imbalance in fault detection. All code is publicly available.
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Machine Learning · Cross-listed from cs.CL
A Pāninian Foundation for Indic Language Processing
Ritwik Banerjee and Lav R. Varshney
More than a billion people communicate in Indic
languages, yet the natural
language processing infrastructure serving them remains fragmented and underdeveloped. The cause is structural: the field organizes its tools and
benchmarks around individual
languages or small subsets of genealogical
language families, building separate analyzers, parsers, and
datasets for each
language and starting over for the next. This overlooks a deep regularity. Through more than two millennia of convergence around Sanskrit, Indic
languages came to share a morphosyntactic architecture formalized in Pānini's grammar, the Astādhyāyī. This cuts across genealogical lines, uniting
languages through a common framework. We argue that this Pāninian framework supplies a unifying computational architecture the field has lacked, and that
benchmarks grounded explicitly in it would make Indic
language systems more accurate, more data-efficient, and more transferable, effectively merging many apparently disparate and sparse Indic
language resources into a single high-resource metalanguage bedrock. We propose a four-part
benchmark suite to render this shared architecture explicit, measurable, and ready to be leveraged for practical applications. Moreover, we underscore the question it raises for interpretability research: whether neural models trained on these
languages come to represent Pānini's categories on their own.
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Machine Learning · Cross-listed from cs.CL
BehaviorBench: Benchmarking Foundation Models for Behavioral Science Tasks
Jin Huang, Yutong Xie, Wanli Song et al. (+5 more)
Foundation models have been increasingly applied to behavioral science domains such as psychology, sociology, and economics. While these models show promise in tasks such as survey response prediction and human-subject experiment simulation, there remains no systematic understanding of how well they perform across diverse behavioral science tasks. We introduce BehaviorBench, a comprehensive
benchmark that evaluates foundation models along four core capabilities: (1) behavior prediction and simulation, (2) strategic decision-making, (3) subject-trait inference, and (4) behavioral knowledge application. Crucially, BehaviorBench evaluates model outputs at both the individual and distributional levels, capturing not only per-subject accuracy but also population-level
alignment, an essential requirement for behavioral validity. Our evaluation shows that BehaviorBench remains challenging for leading general-purpose LLMs and behavior foundation models that are specifically trained with behavioral data. We find that individual-level and distributional performance do not always align. General-purpose LLMs tend to underestimate the diversity of human responses, whereas behavior foundation models often lag behind at individual-level prediction. Our investigation further demonstrates how fine-tuning on diverse behavioral data can improve both individual-level prediction and distributional
alignment, balancing these two objectives. Our results highlight the importance of evaluation at both individual and distributional levels, establishing BehaviorBench as a foundation for developing and assessing behaviorally aligned AI systems. Our BehaviorBench and models can be accessed via https://umich-foreseer.github.io/behaviorbench/
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All authors Jin Huang, Yutong Xie, Wanli Song, Xingjian Zhang, Owen Yang, Walter Yuan, Matthew O. Jackson, Qiaozhu Mei
Machine Learning · Cross-listed from cs.CV
Autonomous Video Generation with Counterfactual Controllability for Self-Evolving World Models
Xin Wang, Wenxuan Liu, Tongtong Feng et al. (+1 more)
Large-scale
video generation models are increasingly described as world models because they can learn rich spatiotemporal regularities from visual data. However, we argue that an ideal world model should benefit in a self-evolving generative character. Traditional visually plausible predictions alone are not enough to establish whether an imagined future is physically actionable for a particular
embodied agent, failing to provide informative feedback from environments for self-evolving improvement. To realize self-evolving world models, this article proposes the concept of autonomous
video generation, which is evaluated through counterfactual controllability, i.e., the ability to i) generate intervention-conditioned futures, ii) bind these future frames to embodiment constraints, iii) verify them under distribution shifts, and iv) distil surviving branches into compact variables for decision-making. We formalize a four-stage closed-loop optimization of Generation, Binding, Verification and
Distillation, together with four corresponding evaluation metrics: novelty, consistency, out-of-distribution (OOD) and efficiency. We further discuss two examples, i.e., drones and manipulators, as early
embodied testbeds where wind, sensing limits, actuation delay, contact dynamics and recovery constraints can be systematically perturbed and verified. The central claim is that the framework of autonomous
video generation for self-evolving world models should not be judged by
video fidelity alone, but by whether the generated frames improve valid action under counterfactual interventions and various embodiment constraints.
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All authors Xin Wang, Wenxuan Liu, Tongtong Feng, Wenwu Zhu
Machine Learning
AsyncOPD: How Stale Can On-Policy Distillation Be?
Wonjun Kang, Kevin Galim, Seunghyuk Oh et al. (+9 more)
On-policy
distillation (OPD) trains a student on its own rollouts guided by teacher feedback and is becoming increasingly important for large
language model (LLM) post-training. Like reinforcement learning (RL), however, OPD faces an on-policy systems bottleneck, as rollouts can dominate training time for
reasoning workloads. Asynchronous training pipelines can alleviate this bottleneck by decoupling rollout generation from learner updates, but doing so introduces stale-policy data. While prior work has studied stale data in asynchronous RL, its effects in OPD remain underexplored. We present the first systematic study of staleness in asynchronous OPD, focusing on a practical setting where teacher feedback is implemented through local KL losses and full-vocabulary teacher logits are too expensive to store or transfer, necessitating finite teacher-score caches. We first show that KL direction changes the stale-data problem: teacher-weighted forward KL is more robust to stale rollouts, whereas student-weighted reverse KL is vulnerable. Second, for this vulnerable reverse-KL case, we study whether methods designed to stabilize asynchronous RL can mitigate OPD staleness. In our experiments, they do not improve over a simpler OPD-specific surrogate: recomputing the reverse-KL signal under the current student at learner time. Third, we analyze how finite teacher-score caches create a bias-variance tradeoff for sparse and sampled reverse-KL OPD
estimators. This motivates multi-sample Monte Carlo (MC), which preserves MC correctability while reducing one-sample variance. Finally, we present and open-source AsyncOPD, a fully asynchronous OPD training pipeline built from these
estimator choices. Experiments show that AsyncOPD improves training throughput by $1.6\times$ to $3.8\times$ over strict synchronous training while reaching comparable accuracy.
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All authors Wonjun Kang, Kevin Galim, Seunghyuk Oh, Minjun Kang, Sanghyun Park, Donghoon Kim, Minjae Lee, Minseo Kim, Rishabh Tiwari, Yuchen Zeng, Hyung Il Koo, Kangwook Lee
Machine Learning
A Time-Reparameterized Cumulative Intensity Extrapolation Sampler for Discrete Flow Matching
Feiyang Fu and Hehe Fan
Discrete flow matching (DFM) provides a principled framework for generative modeling on discrete state spaces via continuous-time Markov chain dynamics. In practice, sampling for DFM commonly employs discretizations such as $\tau$-leaping, yet efficient sampling methods under a limited number of function evaluations (NFE) remain less studied. To address this gap, we propose the Time-Reparameterized Cumulative Intensity Extrapolation (TR-CIE) sampler, which aims to improve sampling quality when function evaluations are restricted. TR-CIE consists of two components. First, a schedule-based time reparameterization rescales the time grid according to the noise schedule. Under standard factorized DFM rate parameterizations, this transformation of variables absorbs the schedule-dependent growth term and mitigates stiffness near the terminal sampling stage. Second, we introduce a cumulative-intensity extrapolation updating rule. By reusing cached model outputs from the previous step as a history term, this improves the approximation of stepwise cumulative intensities on the resulting non-uniform time grid. We provide a theoretical analysis that bounds the local approximation error of cumulative intensities and establishes convergence results. The resulting sampler requires one NFE per step and introduces no additional model evaluations compared to the standard $\tau$-leaping sampler. Extensive experiments on synthetic tasks, text generation, and text-to-image
benchmarks demonstrate that our method improves sampling quality under limited NFE.
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Machine Learning · Cross-listed from math.PR
Uniform Sampling from High-dimensional Spectral Norm Balls
Michael R. Metel
Motivated by an application in machine learning optimization, this paper focuses on the challenges of sampling a
matrix uniformly from the unit spectral norm ball. It is proven that all singular values of sampled
matrices converge to 1 almost surely as the
matrix dimensions increase. This result provides the theoretical justification for a proposed simple sampling method applicable for large dimension sizes matching
matrices found in modern large
language models. Experimental results demonstrate both the convergence of the singular values, as well as the exact and proposed approximate sampling methods.
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Machine Learning
Holistic Data Scheduler for LLM Pre-training via Multi-Objective Reinforcement Learning
Chenhao Dang, Jing Ma and Mingjie Liao
The composition of training data, governed by the diversity of sources and their mixing strategy, is a cornerstone of Large
Language Model (LLM) pre-training. Online Data Mixing (ODM), the technique of adaptively adjusting data mixtures during training, has emerged as a promising direction to improve efficiency. However, existing methods are constrained by their reliance on a singular optimization perspective, which fundamentally overlooks the need for complex LLM pre-training to consider the dynamic data composition from multiple dimensions. To overcome this limitation, we introduce the Holistic Data Scheduler (HDS), a novel online data mixing framework. HDS formulates the data scheduling challenge as a reinforcement learning problem in a continuous control space and leverages the Soft Actor-Critic (SAC)
algorithm for its stability and sample efficiency in exploring the high-dimensional policy space. At the core of HDS lies a novel multi-objective, holistic reward function that integrates three critical perspectives: a data-driven reward for quality, a loss-driven reward capturing inter-domain influence, and a model-driven reward based on weight norms. To validate our design and determine its optimal configuration, we conducted systematic experiments on LLMs of various sizes. On The Pile
benchmark, HDS reaches the final validation perplexity of the next best method with 44% fewer training iterations. Furthermore, it achieves a 7.2% improvement on the MMLU 0-shot task along with consistent gains on other
benchmarks, showcasing its ability to enhance both training efficiency and final model capability.
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Machine Learning
When Top-1 Fails: Calibrating LoRA Monitors for Masked Diffusion LMs
Lucky Verma and Pratik Yadav
Discrete
diffusion language model (DLM) fine-tuning inherits inexpensive diagnostics from denoising-time confidence monitors, but their PEFT-training meaning is untested. We test top-1 argmax concentration as a collapse warning. Across 816 LoRA/PEFT configurations from three DLM families, the warning fires for every configuration while logs record 0/816 actual collapses at the 200 step horizon, giving zero precision. The cause is pre-
equilibrium saturation: top-1 concentration is already high before optimization and quickly becomes insensitive to final training stability. We then evaluate max LoRA gradient norm, a parameter-side signal that samples gradient routing rather than
token concentration. On a pooled held-out LLaDA-family split, a train-optimized threshold identifies top-decile final-loss configurations with precision 0.68 and F1=0.79, above the all-positive top-1 baseline even at the lower split-bootstrap confidence bound. Autoregressive controls and cross-family threshold failures bound the result to short-horizon DLM-LoRA inspection rather than a universal collapse detector. Workflow: drop top-1 as a PEFT alarm, log max-gradient early in training, and calibrate thresholds per DLM family before routing runs for inspection.
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Machine Learning
FedUP: One-Shot Federated Unlearning via Centroid-Guided Plug-in Filters
Feihong Nan, Zhengyi Zhong, Pan Wang et al. (+4 more)
Federated unlearning (FU) is critical for complying with legal mandates like the right to be forgotten in decentralized systems, yet current methods face a persistent dilemma between non-target knowledge loss and high request latency. To resolve these issues, we propose FedUP, a one-shot
federated unlearning framework utilizing lightweight pluggable filters that act as a "knowledge funnel" to screen out target data while preserving original model performance. By freezing original model parameters and training filters at the server side using differentially private (DP)-protected class centroid samples, FedUP bypasses the need for multi-round client-server communication and complex retraining, reducing unlearning latency from minutes to mere seconds. Additionally, the framework's pluggable architecture ensures inherent reversibility, enabling the seamless restoration of forgotten knowledge by simply removing the filters. Extensive experiments on diverse image and text tasks demonstrate that FedUP effectively reduces non-target knowledge loss and achieves superior unlearning precision and efficiency across various scenarios. Code is available at: https://github.com/suows/FedUP-code.
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All authors Feihong Nan, Zhengyi Zhong, Pan Wang, Weidong Bao, Xiongtao Zhang, Quan Wen, Ji Wang
Machine Learning · Cross-listed from cs.CL
PORTER: Language-Grounded Event Representations for Portable Structured EHR Foundation Models
Lin Lawrence Guo, Adam Paul Yan, Emily Vettese et al. (+1 more)
Most electronic health record (EHR) foundation models encode clinical events as discrete event
tokens from a fixed vocabulary and therefore cannot directly represent events containing unseen concepts or new combinations of concepts and attributes such as numeric values. This limits transfer across institutions and even across deployment pipelines within the same institution. We introduce PORTER, a
language-grounded structured EHR foundation model that decouples event representation from this fixed vocabulary. PORTER represents events through their descriptions using a frozen text encoder, integrates numeric values through a dedicated pathway, and learns clinical dynamics over patient timelines with an autoregressively pretrained temporal backbone. Across 74 clinical prediction tasks at a pediatric hospital, PORTER matched the mean AUROC of a fixed-vocabulary model with the same temporal backbone and pretraining objective. When the same patient timelines were rendered using event descriptions not seen during pretraining, PORTER transferred without retraining or vocabulary mapping, recovering 97.1% of the mean AUROC of a model trained directly on the target vocabulary. When transferred to MIMIC, PORTER outperformed the fixed-vocabulary model, which dropped 69% of events because their
tokens were unseen. Mechanistic analyses showed cross-vocabulary transfer tracked preservation of patient-level representation geometry rather than the scale of the text encoder, and the numeric pathway improved sensitivity to magnitude without disrupting clinical concept identity. PORTER also achieved higher AUROC than a task-specific text serialization comparator, at 329-fold lower amortized compute. PORTER is a step toward vocabulary-independent EHR foundation models that reduce the need for vocabulary harmonization while preserving in-domain performance and enabling efficient cross-task reuse.
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All authors Lin Lawrence Guo, Adam Paul Yan, Emily Vettese, Lillian Sung