Machine Learning · Cross-listed from cs.DS
The Secretary Problem with a Stochastic Precursor
Franziska Eberle and Alexander Lindermayr
In learning-augmented online
algorithms, predictions are usually valued for what they say: a value estimate, a solution, or an algorithmic recommendation. This paper shows that predictions can also be valuable solely due to their arrival time. We study the fundamental secretary problem augmented with a
stochastic precursor: a content-free signal that is guaranteed to arrive no later than the best item, but is otherwise stochastically timed. The signal does not carry any additional information; nevertheless, its timing alone changes the structure of optimal stopping. We characterize optimal policies in the random-order and
adversarial-order models. In random order, a single uniformly timed precursor already gives success probability at least $\frac12$, improving on the classic $\frac1e$
benchmark. With increasingly late precursors, the success probability approaches $1$. In
adversarial order, for which traditional models do not admit strong guarantees, sufficiently concentrated precursors recover constant success guarantees. Our results show that such novel forms of asynchronous temporal information are a distinct and powerful form of advice in online decision making and may also be effective for other problems.
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Machine Learning · Cross-listed from cs.CV
From Baseline to Follow-Up: Counterfactual Spine DXA Image Synthesis in UK Biobank Using a Causal Hierarchical Variational Autoencoder
Yilin Zhang, Nicholas C. Harvey, Nicholas R. Fuggle et al. (+1 more)
Dual-energy X-ray absorptiometry (DXA) is widely used for large-scale skeletal assessment, yet learning controllable and interpretable factor-specific anatomical variation remains challenging. We propose a metadata-conditioned causal hierarchical variational autoencoder (CHVAE) for causally consistent generation of anteroposterior (AP) spine DXA images from the UK Biobank (UKB). The model is trained on 3,743 raw AP spine scans from the first imaging visit and conditioned on basic participant attributes and lumbar morphometry. Causal consistency is evaluated in a baseline-to-follow-up setting using abduction–action–prediction (AAP): latent variables are abducted from baseline images, age is intervened to the repeat-imaging value, and the resulting counterfactual follow-up morphometry is compared with observed repeat-imaging measurements. Results show strong absolute-level agreement for key vertebral morphometry variables under age intervention, supporting intervention-aligned synthesis of anatomically plausible DXA images.
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All authors Yilin Zhang, Nicholas C. Harvey, Nicholas R. Fuggle, Rahman Attar
Machine Learning
Why SGD is not Brownian Motion: A New Perspective on Stochastic Dynamics
Igor Ignashin, Anna Radovskaya, Andrew Semenov et al. (+7 more)
Stochastic Gradient Descent (SGD) is commonly modeled as a Langevin process, assuming that minibatch noise acts as Brownian motion. However, this approximation relies on a continuous-time limit and a sqrt(eta) noise scaling that does not match the discrete SGD update at finite learning rate. In this work, we propose an alternative formulation of SGD as deterministic dynamics in a fluctuating loss landscape induced by minibatch sampling. Starting directly from the discrete update, we derive a master equation for the parameter distribution and obtain a discrete Fokker–Planck equation that differs from the standard Langevin form at order eta^2. Using this framework, we analyze SGD dynamics near critical points of the loss. We show that the behavior decomposes along the eigenbasis of the mean Hessian into qualitatively distinct regimes. In particular, nearly-flat directions do not admit a stationary distribution: the variance grows over time, corresponding to effective
diffusion along valleys with a coefficient proportional to the learning rate. We provide empirical evidence supporting these predictions on neural network models in computer
vision and natural
language processing, observing a clear qualitative separation between confined and diffusive modes.
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All authors Igor Ignashin, Anna Radovskaya, Andrew Semenov, Egor Lopatin, Stanislav Potapov, Aleksandr Kovalenko, Andrey Veprikov, Aleksandr Shestakov, Andrey Leonidov, Aleksandr Beznosikov
Machine Learning · Cross-listed from cs.CL
More Context, Larger Models, or Moral Knowledge? A Systematic Study of Schwartz Value Detection in Political Texts
Víctor Yeste and Paolo Rosso
Detecting Schwartz values in political texts is hard: cues are often implicit, and neighboring values differ by fine distinctions. Two remedies are widely assumed to help: more surrounding document text, and explicit moral knowledge. Knowledge-based
retrieval has improved
benchmarks elsewhere, but whether either transfers here is untested, because published systems vary context, knowledge, and model family at once. We separate these factors under matched conditions on the ValuesML/Touché ValueEval format. The input ranges from the target sentence to a local window to the full document.
Retrieval is either absent or drawn from a curated moral knowledge base, injected by early, late, or cross-
attention fusion. Supervised DeBERTa-v3 encoders are compared against zero-shot LLMs from 12B to 123B. More context is not uniformly better: full-document input improves the encoders by 2.5-3.8 macro-F1 points but does not consistently help the LLMs. Retrieved knowledge helps more reliably, improving every model family and context under early fusion. A control substituting random knowledge-base entries shows the families gain differently: LLMs from relevance, encoders from exposure to the value ontology. Neither larger encoders nor larger LLMs guarantee gains, and early fusion outperforms both trainable variants. Value-sensitive NLP should evaluate context, knowledge, and model family jointly.
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Machine Learning
The Double Dilemma in Multi-Task Radiology Report Generation: A Gradient Dynamics Analysis and Solution
Erjian Zhang, Yatong Hao, Liejun Wang et al. (+1 more)
While multi-task learning based automatic radiology report generation (RRG) is widely adopted to ensure clinical consistency, most focus on architectural designs yet remain limited to coarse linear scalarization strategies. These strategies cannot effectively balance the hard constraints of discriminative clinical supervision with the smoothness requirements of report generation. To address these problems, we analyze the failure mechanism of linear scalarization from the perspective of gradient dynamics, utilizing the
stochastic differential equation (SDE) framework to characterize it as a "Double Dilemma" of drift term deviation and
diffusion term decay. Based on this, we propose a backbone-agnostic optimizer named Conflict-Averse Magnitude-Enhanced Gradient Descent (CAME-Grad). Through conflict-averse direction rectification and magnitude-enhanced energy injection, the
algorithm not only ensures
geometric validity, but also avoids local optimal solutions. Then, the adaptive gradient fusion mechanism is used to establish a dynamic balance between the theoretical optimal direction and the task-specific inductive bias. Experiments show that as a universal plug-and-play optimizer, CAME-Grad brings substantial and consistent improvements across eight diverse RRG methods, elevating overall clinical efficacy performance by an average of 2.3% on MIMIC-CXR and 1.9% on IU X-Ray. Our code is available at https://github.com/vpsg-research/CAME-Grad.
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All authors Erjian Zhang, Yatong Hao, Liejun Wang, Zhiqing Guo
Machine Learning
A note on convergence of Wasserstein policy optimization
David Šiška and Yufei Zhang
Wasserstein Policy Optimization (WPO) is a recently proposed reinforcement learning
algorithm that leverages Wasserstein gradient flows to optimize
stochastic policies in continuous action spaces. Despite its empirical success, the theoretical convergence properties of WPO in environments with continuous state and action spaces have yet to be fully established. In this note, we argue that WPO within the framework of
entropy-regularised Markov Decision Processes converges linearly. This is done by leveraging recent advances in mean-field analysis for convergence of gradient flows using log-Sobole inequalities. Assuming existence of sufficiently regular solution to the gradient flow equation we demonstrate monotonic energy dissipation along the flow and establish a local log-Sobolev inequality. Ultimately, these properties allow us to argue that the value function should converge linearly to the global optimum.
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Machine Learning · Cross-listed from cs.CR
UNAD+: An Explainable Hybrid Framework for Unknown Network Attack Detection
Saif Alzubi and Frederic Stahl
The detection of previously unseen network attacks remains a major challenge for intrusion detection systems. Although supervised learning methods often perform well on known attack classes, they are limited when new attack types are not represented in the training data. Unsupervised methods are more suitable for detecting zero-day attacks, as they do not require labelled attack samples, but they often suffer from high false positive rates, which limits their real-world usefulness. This paper presents UNAD+, an enhanced framework for unknown network attack detection derived from the previously proposed Unknown Network Attack Detector (UNAD). UNAD+ combines a benign-only unsupervised ensemble with Weighted Majority Voting (WMV), a supervised refinement stage trained on pseudo-labelled detections, and a post hoc explainability layer that provides both local and global explanations. The framework was evaluated on the CICIDS2017 and NSL-KDD
benchmark datasets. The results show that UNAD+ improves on the original UNAD framework, achieving F1-scores above 98% across the
benchmark datasets while significantly reducing false positives and enhancing transparency and deployment suitability through integrated explainability.
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Machine Learning
Two is better than one: A Collapse-free Multi-Reward RLIF Training Framework
Shourov Joarder, Diganta Sikdar, Ahsan Habib Akash et al. (+2 more)
Reinforcement learning with verifiable rewards (RLVR) has substantially improved the
reasoning ability of LLMs, but often depends on external supervision from human annotations or gold-standard solutions. Reinforcement learning from internal feedback (RLIF) has recently emerged as a scalable unsupervised alternative, using signals extracted from the model itself. However, existing RLIF methods typically rely on a single internal reward, which can lead to reward hacking,
entropy collapse, and degraded
reasoning structure. We propose a multi-reward RLIF framework that decomposes the training signal into two complementary components: an answer-level reward based on cluster voting and a completion-level reward based on
token-wise self-certainty. To combine these signals robustly, we apply GDPO-based normalization to reduce reward-scale imbalance. We further introduce KL-Cov regularization, which targets low-
entropy token distributions responsible for disproportionate
entropy reduction, preserving exploration and preventing late-stage collapse. Across mathematical
reasoning and code-generation
benchmarks, our method improves stability and robustness over prior unsupervised RL approaches, while achieving performance close to supervised RLVR methods. These results show that complementary internal rewards, combined with targeted regularization, can support stable long-horizon
reasoning without relying on external ground-truth supervision. Code will be released soon.
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All authors Shourov Joarder, Diganta Sikdar, Ahsan Habib Akash, Binod Bhattarai, Prashnna Gyawali
Machine Learning
Evolutionary Multi-Task Optimization for LLM-Guided Program Discovery
Halil Alperen Gozeten, Xuechen Zhang, Emrullah Ildiz et al. (+3 more)
Recent LLM-guided evolutionary search methods have shown that iterative program mutation can discover strong
algorithms, but they typically optimize each task independently, even when related tasks share reusable structure. We study evolutionary multitask optimization (EMO) for LLM-guided program discovery and propose EMO-STA (Shared-Then-Adapt), a two-stage framework that first evolves a shared archive of executable programs across a task family and then adapts selected shared candidates to each target task. Within EMO-STA, we explore multiple adaptation strategies, including warm-starting from the shared archive, adapting the best average shared program, and adapting the shared program that performs best on each target task. Across eight task families spanning continuous optimization,
geometric construction, modeling, and algorithmic optimization, EMO-STA improves over single-task
evolution under matched evolutionary-iteration budgets in most settings, with STA Best-Local providing the strongest in-distribution adaptation and STA Best-Shared yielding robust transfer to unseen tasks. Iteration-allocation experiments show that devoting a substantial fraction of the family-level iteration budget to shared
evolution is effective, with roughly balanced shared and aggregate adaptation budgets often yielding the best performance. ARC and time-series feature-engineering case studies further suggest that shared
evolution can mitigate overfitting in low-evidence settings by favoring programs that perform well across related tasks rather than exploiting brittle task-specific artifacts.
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All authors Halil Alperen Gozeten, Xuechen Zhang, Emrullah Ildiz, Ege Onur Taga, Tara Javidi, Samet Oymak
Machine Learning · Cross-listed from cs.CY
Healthcare LLM Benchmarks Are Only as Good as Their Explicit Assumptions
Naveen Raman, Santiago Cortes-Gomez, Mateo Dulce Rubio et al. (+2 more)
Benchmarks are necessary for healthcare evaluation, but are not sufficient for predicting deployment performance. Our position is that the evaluation–deployment gap arises not because of poorly designed
benchmarks, but from implicit assumptions about how users interact with models that cannot be surfaced from
benchmarks alone. To make this precise, we propose a classification of assumptions into two categories: task, which can be tested from conversation data alone, and outcome, which requires outcome data and behavioral studies for testing. Critically, outcome assumptions depend on human behavior, something that even well-designed
benchmarks cannot directly observe. To demonstrate the operationality of this framework, we retrospectively analyze a healthcare RCT as a case study and find that the gap naturally separates into task and outcome gaps of roughly equal size. To address this, we make two contributions: first, we propose BenchmarkCards, an artifact that documents assumptions, and second, we propose staged evaluation, a procedure that systematically tests assumptions and evaluates performance.
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All authors Naveen Raman, Santiago Cortes-Gomez, Mateo Dulce Rubio, Fei Fang, Bryan Wilder
Machine Learning
Benchmarking Machine Learning Architectures for Antimicrobial Stewardship in Pediatric ICUs
Niklas Raehse, Luregn J. Schlapbach and Daphné Chopard
Antimicrobial stewardship (AMS) is critical in pediatric intensive care units (PICUs), where diagnostic uncertainty often drives broad-spectrum antibiotic use, increasing antimicrobial resistance and potential long-term harms. Machine learning offers a promising approach for identifying patient-level opportunities for stewardship interventions from electronic health record data, yet prior work has focused largely on adult populations and static tabular representations. We present a systematic benchmarking study of AMS intervention prediction in the PICU across the public Paediatric Intensive Care database a private cohort from the University Children's Hospital Zurich, Switzerland. We define four clinically relevant proxy targets for reducing antibiotic exposure: intravenous-to-oral switching, de-escalation, discontinuation, and short-course therapy. Under a unified evaluation framework, we compare tabular, sequence-based, and graph-based temporal models at multiple temporal resolutions. We find that predictive performance is driven primarily by target prevalence and
dataset characteristics rather than model complexity. Sequence models improve the precision-recall trade-off over tabular approaches at coarse (24-hour) resolution, while finer temporal modeling provides limited additional benefit. However, these gains come at the cost of poorer calibration, with simpler tabular models yielding more reliable probability estimates. Our findings highlight the importance of target design, temporal representation, and calibration in clinical machine learning, and provide practical guidance for developing reliable decision support systems for pediatric AMS.
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Machine Learning · Cross-listed from cs.CR
Innovations in Cardless Artificial Intelligence Banking: A Comprehensive Framework for Cyber Secure and Fraud Mitigation using Machine Learning Algorithms
Md Israfeel
The advent of cardless artificial intelligence (AI) banking heralds a paradigm shift in the financial landscape, offering users unprecedented security and convenience. This paper outlines a comprehensive framework designed to enhance cybersecurity, introduce auto-generated virtual cards, and mitigate fraud risks within cardless AI banking systems. The framework envisions a future banking architecture that employs AI-powered data cryptography to create secure virtual cards for seamless transactions. By emphasizing secure communication channels, it ensures the integrity of financial activities among banking systems, cardholders, and third-party vendors. AI-based authorization methodologies play a pivotal role in authenticating each transaction while proactively identifying potential fraud, demonstrating the framework's efficacy in fortifying cardless AI banking security. The initial approach, featuring an AI-driven, feature-based banking system, ensures the generation of virtual cards with encrypted data, minimizing information exposure and reducing fraud risks. Integrating a machine learning
algorithm adds an additional layer of protection against potential fraudulent activities. In conclusion, the proposed framework establishes a holistic cybersecurity and fraud-mitigation paradigm for cardless AI banking systems. Its implementation empowers financial institutions to address security concerns associated with traditional banking, paving the way for a future banking landscape that is not only fraud-resistant but also secure and convenient for users.
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Machine Learning
MoSA: Motion-constrained Stress Adaptation for Mitigating Real-to-Sim Gap in Continuum Dynamics via Learning Residual Anisotropy
Jiaxu Wang, Junhao He, Jingkai Sun et al. (+5 more)
Learning real-world dynamics from visual observations is crucial for various domains. A common strategy is to calibrate simulators by estimating physical parameters, yet accuracy is ultimately bounded by the underlying physical models, which often assume materials are homogeneous and isotropic. Even if reasonable, real-world objects typically exhibit mild anisotropy and heterogeneity. After the near-isotropic backbone is well calibrated, these residual effects become the key bottleneck for further closing the real-to-sim gap. Although neural networks can fit dynamics end-to-end, such black-box modeling discards strong physical priors, leading to poor data efficiency and overfitting. Therefore, we propose MoSA, a motion-constrained stress adaptation framework that targets these residual effects to further improve real-to-sim dynamics learning. MoSA uses an isotropic model as a physics prior and learns residual stress operators to capture mild anisotropy and heterogeneity. It progressively adapts stresses via microplane-constrained redistribution in a physics-informed cascaded network. We further impose motion constraints by supervising temporal and spatial derivatives of the deformation field. Experimentally, our learned dynamics achieves superior accuracy, generalization, and robustness, while learning physically meaningful residual anisotropy. Finally, we validate MoSA in a
robot manipulation setting, showing that better real-to-sim dynamics modeling translates into more reliable sim-to-real transfer. Project Page is available at https://mercerai.github.io/MoSA/.
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All authors Jiaxu Wang, Junhao He, Jingkai Sun, Yi Gu, Yunyang Mo, Jiahang Cao, Qiang Zhang, Renjing Xu
Machine Learning
Factored Diffusion Policies:Compositionally Generalized Robot Control with a Single Score Network
Sayan Mitra, Ege Yuceel, Noah Giles et al. (+1 more)
Robotic tasks are typically specified by a tuple of factors, such as the object to be grasped, the obstacles to be avoided, the color of the target, and so on. Collecting expert demonstrations for every combination of factor values grows combinatorially. We present factored
diffusion policies: a single shared
diffusion network trained with per-factor null-
token dropout, whose score decomposes additively across factors at inference. Under approximate conditional independence between factors given the action-observation pair, this composition approximates the true joint score with a bounded uniform error, reducing the training-task budget from a product of factor cardinalities to a sum. A trajectory-tube certificate chains this score-level bound through the reverse-time sampling ODE and a contracting tracking controller into a closed-loop state-trajectory tube whose radius factors into an ODE-sensitivity constant and a per-factor score-error budget. Unlike compositional-
diffusion methods for control that combine separately trained networks, we use one shared network. Drone racing experiments confirm both the generalization bound and the certificate. On state-based multi-gate racing, the factored policy passes 90% of held-out gates – matching an oracle – while a K-network composition baseline collapses to 3%; on
vision-based single-gate traversal, it transfers zero-shot to an unseen venue with +11.7pp success-rate gain and 2.4X crash-rate reduction.
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All authors Sayan Mitra, Ege Yuceel, Noah Giles, Abhishek Pai
Machine Learning
Do Deep Ensembles Actually Capture Uncertainty in Graph Neural Networks?
Pedro C. Vieira, Pedro Ribeiro and Viacheslav Borovitskiy
While deep ensembles are widely considered to be the default method for uncertainty quantification in deep learning, their effectiveness for graph-structured data is often simply assumed based on successes in domains like computer
vision. We investigate standard deep ensembles specifically for message-passing graph neural networks. Benchmarking across eight
datasets representing varied tasks and complexities, we reveal that ensembles provide only marginal improvement over a single model. These marginal gains stem primarily from averaging out optimization noise in point predictions rather than from meaningfully better uncertainty estimates. Through an aleatoric-epistemic decomposition, we identify epistemic collapse: independently trained networks consistently converge to overly similar predictions. Because disagreement is the fundamental mechanism through which ensembles capture epistemic uncertainty, this lack of diversity neutralizes their key advantage. Towards explaining this phenomenon, we derive a bound on epistemic variance in terms of the graph
topology and Dirichlet energy budget, linking epistemic collapse to the smoothing bias of message passing. Our results suggest that deep ensemble success does not seamlessly transfer to graph machine learning.
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Machine Learning
A Tutorial on Diffusion Theory: From Differential Equations to Diffusion Models
Jiayi Fu and Yuxia Wang
Diffusion models have emerged as a dominant framework for generative modeling, but their mathematical foundations are often presented separately through
diffusion probabilistic models, score-based modeling,
stochastic differential equations, and numerical sampling methods. We write this tutorial to provide a unified and self-contained account of these viewpoints from the perspective of differential equations. Starting from a conditional Gaussian noising process, we derive ordinary differential equation (ODE) and
stochastic differential equation (SDE) representations, pass to the corresponding marginal forward dynamics, and then obtain the reverse-time SDE and probability-flow ODE that make generation possible. We show that the central unknown quantity in reverse sampling is the marginal score, explain how score matching becomes the standard denoising objective under a noise-prediction parameterization, and discuss practical reverse-time sampling and guidance. We further place DDPM, DDIM, flow matching, and score-based SDEs in a common framework, and conclude with
diffusion language models in continuous
embedding space together with a brief discussion of discrete masked-
token diffusion. The tutorial is intended as a bridge between the analytical foundations of
diffusion processes and the modern generative
algorithms built upon them.
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Machine Learning · Cross-listed from cs.CV
SceneAligner: 3D-Grounded Floorplan Localization in the Wild
Junhyeong Cho, Ruojin Cai and Hadar Averbuch-Elor
Many public buildings provide floorplans with a "you are here" indicator to help visitors orient themselves. Floorplan localization seeks to computationally replicate this capability by determining where visual observations were captured within a floorplan. However, existing methods typically assume controlled small-scale environments and precise vectorized floorplans, limiting their ability to operate in large-scale buildings and rasterized floorplans. In this work, we present an approach for performing floorplan localization in the wild by grounding the task in a reconstructed 3D representation of the scene. Given an unconstrained image collection, our method reconstructs a
gravity-aligned 3D scene and projects it into a 2D density map that serves as a floorplan proxy. Floorplan localization is then formulated as aligning this proxy with the input floorplan via a 2D similarity transform. To bridge the appearance gap between density maps and architectural floorplans, we adapt a 2D foundation model to learn cross-modal correspondences, introducing a fine-tuning scheme that encourages semantically aligned matches while preserving structural consistency. Extensive experiments demonstrate substantial improvements over prior methods, including in extremely sparse settings with as little as a single input image. Our code and data will be publicly available.
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Machine Learning
GraphFlow: A Graph-Based Workflow Management for Efficient LLM-Agent Serving
Ao Li, Shangpeng Yang, Fahao Chen et al. (+3 more)
Large
Language Model (LLM)-based
agents demonstrate strong
reasoning and execution capabilities on complex tasks when guided by structured instructions, commonly referred to as workflows. However, existing workflow-assisted
agent serving systems typically rely on predefined templates and shallow matching mechanisms, which limit their ability to capture deep semantic relationships and generalize to previously unseen tasks. To address these limitations, we propose a new workflow management paradigm that represents workflows using a unified graph, termed wGraph, where each node corresponds to an atomic operation. wGraph serves as a shared substrate from which task-specific workflows are dynamically instantiated. Building on wGraph primitives, we introduce GraphFlow, a system that efficiently integrates workflows into
agent serving through two key designs. First, adaptive workflow generation dynamically constructs workflows from wGraph based on task semantics and constraint requirements. Second, workflow state management exploits wGraph structure to efficiently manage Key-Value (KV) caches, reducing redundant computation during
agent serving. Extensive experiments across five
benchmark datasets show that GraphFlow consistently outperforms state-of-the-art methods, yielding an average performance improvement of approximately 4.95 percentage points, while achieving an approximately 4$\times$ reduction in
memory footprint.
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All authors Ao Li, Shangpeng Yang, Fahao Chen, Tianheng Xu, Peng Li, Zhou Su
Machine Learning · Cross-listed from cs.CL
SynAE: A Framework for Measuring the Quality of Synthetic Data for Tool-Calling Agent Evaluations
Shuaiqi Wang, Aadyaa Maddi, Zinan Lin et al. (+1 more)
Today, tool-calling
agents are commonly evaluated or tested on static
datasets of execution traces, including input commands,
agent responses, and associated tool calls. However, internal production
datasets are often insufficient or unusable for testing; for example, they may contain sensitive or proprietary data, or they may be too sparse to support comprehensive testing (especially pre-deployment). In these settings, practitioners are increasingly replacing or augmenting real
datasets with synthetic ones for evaluation purposes. A key challenge is quantifying the relation between these synthetic
datasets and the real data. We introduce SynAE, an evaluation framework for assessing how well synthetic
benchmarks for multi-turn, tool-calling
agents replicate and augment the characteristics of real data trajectories. SynAE assesses the validity, fidelity, and diversity of synthetic data across four metric categories: (i) task instructions and intermediate responses, (ii) tool calls, (iii) final outputs, and (iv) downstream evaluation. We evaluate SynAE using recent
agent benchmarks and test common synthetic data failure modes via realistic and controlled generation schemes. SynAE detects fine-grained variations in data validity, fidelity and diversity, and shows that no single metric is sufficient to fully characterize synthetic data quality, motivating a multi-axis evaluation of synthetic data for
agent testing. A demo of SynAE is available at https://synae-2026-synae-demo.static.hf.space/index.html, with code at https://github.com/wsqwsq/SynAE.
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All authors Shuaiqi Wang, Aadyaa Maddi, Zinan Lin, Giulia Fanti
Machine Learning
Regret-Based $(\epsilon,\delta)$-optimal Stopping Criteria for Bayesian Optimization
Haowei Wang, Jingyi Wang and Qiyu Wei
Bayesian optimization (BO) is a widely used iterative black-box optimization method that utilizes Gaussian process (GP) surrogate models. In practice, BO is typically terminated after a fixed evaluation budget is exhausted, which can incur unnecessary cost and provides no optimality guarantee on solution quality. Recent research in developing a practical stopping criterion has made empirical progress, yet a theoretically sound stopping criterion remains a work in progress. In this work, we present provably tighter instantaneous regret bounds for GP upper confidence bound (GP-UCB) at any given iteration. Then, we propose stopping criteria for GP-UCB based on this tighter bound that ensures an $\epsilon$-optimal solution with high probability $1-\delta$ upon termination. Numerical experiments are performed to validate and demonstrate the effectiveness and efficiency of our stopping criteria.
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Machine Learning
Neural Flow Operators can Approximate any Operator: Abstract Frameworks and Universal Approximations
Shuang Chen, Juncai He and Xue-Cheng Tai
We introduce an abstract neural flow framework for neural networks and neural operators. The framework contains two continuous-depth models, namely neural flows with composition and separation structures, and covers both finite-dimensional function approximation and infinite-dimensional operator approximation. We prove well-posedness and universal approximation properties for the corresponding neural flows, including, to the best of our knowledge, the first universal approximation result for flow-based models between infinite-dimensional spaces. We also obtain universal approximation results for convolutional neural flow models. Through suitable time discretizations, the composition structure recovers ResNet-type architectures, while the separation structure, via a splitting-based discretization, yields plain architectures. This gives a unified flow-based route to both residual and plain architectures for neural networks and neural operators with fully connected or convolutional linear layers.
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Machine Learning
ImplicitTerrainV2: Wavelet-Guided Spatially Adaptive Neural Terrain Representation
Haoan Feng, Xin Xu and Leila De Floriani
Digital elevation models (DEMs) underpin terrain analysis in Geographic Information Systems (GIS), but commonly as raster representation, they rely on interpolation for off-grid sampling and finite-difference operators for derivative-based analysis. Implicit neural representations (INRs) offer a continuous alternative, but prior terrain INRs lack explicit frequency control, neglect the gradient structure of terrain, and remain too large and costly to train for practical deployment. We present ImplicitTerrainV2, which advances terrain INRs toward a compact, efficient neural terrain data format by combining a spectral control mechanism with wavelet-guided spatial adaptivity, derivative-aware supervision, and post-training model compression. At its core, a wavelet complexity field (WCF) derives spatially-adaptive frequency masks from analytically computed wavelet coefficients, localizing high-frequency capacity to complex terrain regions. The same field guides complexity-aware adaptive sampling that concentrates training in high-complexity regions, while gradient matching applies extra supervision to enforce the smooth
manifold structure of terrain DEMs for improved derivative fidelity. Post-training mixed-precision quantization and
entropy coding reduce storage to 1.23 bpp with a 0.28 dB PSNR drop. On 50 morphologically diverse Swiss terrain tiles, ImplicitTerrainV2 reaches 66.25 dB end-to-end PSNR, improving over the prior work by 5.70 dB while using 3.2x fewer parameters and training in 55 s per tile on a single GPU. Our compressed neural format is competitive with several established DEM codecs in rate-distortion performance, while additionally supporting off-grid point queries, closed-form derivative evaluation, and resolution-independent reconstruction, which may benefit many downstream GIS applications.
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Machine Learning · Cross-listed from stat.ML
A Martingale Kernel Independence Test
Felix Laumann, Zhaolu Liu and Mauricio Barahona
The
Hilbert-Schmidt Independence Criterion (HSIC) and its joint-independence extension $d\mathrm{HSIC}$ are degenerate $V$-statistics whose data-dependent weighted-$\chi^2$ null limits force a permutation calibration that multiplies the per-test cost by the number of permutations, in practice two orders of magnitude. Adapting the recent martingale MMD construction for two-sample testing to the (joint) independence problem, we introduce two studentised statistics whose null distributions are standard normal regardless of the data law, so that a single normal-
quantile lookup replaces the permutation step entirely. The first, $m\mathrm{HSIC}$, is a self-normalised lower-triangular sum of the Hadamard product of two empirically centred Gram
matrices. Under independence and bounded-fourth-moment kernels it converges to a standard normal. It is consistent against every fixed alternative, and runs at quadratic cost in the sample size without any sample split, matching the biased HSIC $V$-statistic. Our second statistic, $md\mathrm{HSIC}$, achieves finite-sample consistency with a single half-sample split: the centring is estimated on one half and the lower-triangular self-normalised martingale is run on the other, shrinking the conditional-mean residual to a quantity that is exponentially small in $d$, so the statistic is asymptotically standard normal at every fixed number of jointly tested variables, with a per-test cost that grows only linearly in $d$. On synthetic data with per-variable input dimension from $1$ to $500$ and between $2$ and $10$ jointly tested variables, both statistics match the empirical type-I error rate and test power of permutation-calibrated baselines while running $25$ to $60\times$ faster.
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Machine Learning
F-TIS: Harnessing Diverse Models in Collaborative GRPO
Nikolay Blagoev, Oğuzhan Ersoy, Wendelin Boehmer et al. (+1 more)
Reinforcement learning methods such as GRPO have seen great popularity in LLM post-training. In GRPO, models produce completions to a set of
prompts, which are rewarded, and the policy is updated towards the relatively high reward completions. Due to the auto-regressive nature of models, the generation phase of such style of training can be extremely time consuming. As a solution, prior work has sought to distribute the inference step across many nodes, working parallel. These works assume primarily homogeneous models in the training in order to keep samples as close to on-policy as possible. This assumption may be impractical in decentralized systems, where parties with various computes and preferences may wish to collaborate on the same task. Thus, decentralized training requires an approach that can handle heterogeneous models - different models collaborating on the same tasks. However, this leads to highly off-policy samples presented during training, which prior work has identified that off-policy samples can hurt GRPO convergence. To enable heterogeneity, we propose Filtered Truncated Importance Sampling (F-TIS) - a GRPO-style training paradigm that can use off-policy samples to improve local model's learning. Our framework allows various models to collaborate in the same RL training run while being communication efficient. We extensively evaluate F-TIS in various heterogeneous setups and we show that it exhibits identical final model convergence to purely on-sample training. Furthermore, we observe in some setups better generalization on out-of-distribution tasks than on-policy training, increasing model's performance by up to 12%.
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All authors Nikolay Blagoev, Oğuzhan Ersoy, Wendelin Boehmer, Lydia Yiyu Chen
Machine Learning
Relational Linear Properties in Language Models: An Empirical Investigation
Giovanni Valer, Luigi Gresele, Marco Bronzini et al. (+1 more)
Linear properties are ubiquitous in the representations of
language models; however, testing them experimentally remains a challenging task. This work focuses on relational linearity: the hypothesis that, for a fixed relation (e.g., "plays"), the unembedding of an object (e.g., "trumpet") can be predicted from the
embedding of its subject (e.g.,"Miles Davis") by a linear map. We present an experimental method to test the formulation of relational linearity by Marconato et al. (2025). Specifically, we introduce a probing method, based on Kullback-Leibler divergence, to evaluate this property and examine its variation across layers and paraphrased relational queries. It is also more efficient than previous work; for example, it avoids the crude Jacobian approximations used in Linear Relational
Embeddings by Hernandez et al. (2024). Our findings across four
datasets show that relational linearity varies across models, exhibits layer-wise patterns consistent with prior observations about linguistic information in model representations, and is differently affected by changes in how the relation is phrased.
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All authors Giovanni Valer, Luigi Gresele, Marco Bronzini, Emanuele Marconato
Machine Learning
Disentanglement Beyond Generative Models with Riemannian ICA
Edmond Cunningham
There is a gap between the theoretical foundations of disentanglement and the practice of modern representation learning. Existing theoretical frameworks, particularly Independent Component Analysis (ICA) and its nonlinear variants, assume a generative model with statistically independent latent variables underlying the data so that disentanglement amounts to identifying the latents that could have generated the data. This generative framework is interpretable and theoretically justified, but its strong assumptions make it difficult to apply to modern representation learning. Modern pretrained encoders often learn features that exhibit disentangled properties without making generative assumptions, yet there is no general theory for interpreting these features as independent factors of variation. We take a step toward such a theory by introducing Riemannian ICA (RICA), which replaces ICA's global generative model with local
geometric structure. RICA is founded on the observation that in ICA, the factors of variation underlying a data point can be understood through radial curves emanating from the point that map to axis-aligned lines in the latent space. We formalize this perspective using Riemannian geometry and introduce our theory in a way that is consistent with the existing generative approach. Our main contribution is the disentanglement tensor, which encodes a second-order notion of disentanglement that we call pointwise disentanglement. This tensor depends on the Hessian of the data log likelihood as well as the
Ricci curvature induced by the model. In a controlled source recovery setting with known ground-truth sources, RICA recovers sources across several
manifolds, while the success of ICA baselines depends on the coordinates used to represent the observations. Our work provides a theoretical basis for studying local disentanglement without assuming a global generative model.
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Machine Learning
Stabilising Explainability Fragility in Cybersecurity AI: The Impact and Mitigation of Multicollinearity in Public Benchmark Datasets
Ioannis J. Vourganas and Anna Lito Michala
This paper investigates a unexplored yet impactful vulnerability in AI explainability used in intrusion detection (IDS): multicollinearity-induced instability. Despite extensive reliance on post-hoc explainability tools such as SHAP or LIME, the impact of correlated features on explanation robustness is not evaluated. We introduce a formal
theorem stating that multicollinearity inflates attribution variance. This demonstrates that explanations and feature importances are non-identifiable under multicollinearity. A suite of comprehensive experiments validates the
theorem on a representative
benchmark dataset, UNSW-NB15. Four widely used families of models are evaluated, including linear, tree-based, kernel, and neural, across full and pruned feature sets based on VIF and correlation thresholding. We propose the novel metric of Explanability Fragility Score and two novel methods to mitigate it with variable integration complexity. CAA-Filtering focuses on stabilising explanations by grouping attributions of trained models. SHARP is a novel training-time regularisation framework that penalises attribution instability, enabling controllable and monotonic improvement of explainability stability. The findings support stable predictive performance, using Kendall's {\tau} to quantify instability across bootstrapped explanations. This work has direct implications for the trustworthiness and reproducibility of XAI in security-critical contexts, and motivates incorporating multicollinearity mitigations into the IDS pipelines, providing a set of guidelines for practitioners.
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Machine Learning
Generative Modeling by Value-Driven Transport
Pablo Moreno-Muñoz, Adrian Müller and Gergely Neu
We propose a new framework for generative modeling based on a discrete-time
stochastic control formulation of measure transport. Adapting classic results from control theory, we formulate our problem as a linear program whose dual variables correspond to the optimal value function of the control problem, which directly encodes the optimal control policy. Exploiting this LP formulation, we develop an efficient simulation-free primal-dual
algorithm for computing approximately optimal value functions and the associated value-driven transport (VDT) policies which approximate the true optimal policy. We show that well-trained VDT policies enjoy numerous favorable properties in comparison with other state-of-the-art methods based on flows,
diffusions, or Schrödinger bridges: they lead to straight transport paths which can be simulated quickly and robustly, and can be enhanced in all the same ways as
diffusion and flow-based models (e.g., conditional generation, classifier-free guidance, unpaired data-to-data translation are all easy to incorporate). We evaluate our methodology in a range of experiments, with results that indicate strong performance and good potential for scalability.
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Machine Learning · Cross-listed from cs.CR
EnCAgg: Enhanced Clustering Aggregation for Robust Federated Learning against Dynamic Model Poisoning
Tianyun Zhang, Zhen Yang, Haozhao Wang et al. (+2 more)
Federated learning faces increasing threats from model poisoning attacks, which harms its application to improve
privacy. Existing defense methods typically rely on fixed thresholds or perform clustering with a fixed number of clusters to distinguish malicious gradients from benign ones. However, these methods are difficult to adapt to dynamic poisoning strategies of malicious clients, and often result in the loss of benign gradients due to the heterogeneity of clients' local
datasets. To address these problems, we propose a novel robust aggregation method that leverages a small number of known benign clients as references, enabling accurate identification and filtering of malicious gradients while retaining as many benign gradients as possible, even when the number of malicious clients is unknown and variable. First, we introduce a density-based low-dimensional gradient clustering method, which projects gradients onto the two most divergent dimensions and applies density-based clustering to identify malicious gradients while retaining clustered benign gradients and potentially benign outliers. Second, we design an enhancing clustering low-dimensional gradient generator model, which learns to generate pseudo-gradients aligned with the boundary of the benign cluster. These pseudo-gradients act as bridges to connect sparse benign gradient outliers. Third, we introduce low-dimensional gradient re-clustering that clusters the generated pseudo-gradients together with real gradients to recover benign gradients misclassified as noise points, enabling more benign gradients to participate in aggregation. Extensive experiments on the MNIST, CIFAR-10, and MIND
datasets demonstrate that our method exhibits superior fidelity and robustness under dynamic poisoning scenarios.
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All authors Tianyun Zhang, Zhen Yang, Haozhao Wang, Ru Zhang, Yongfeng Huang
Machine Learning · Cross-listed from cs.AI
Compiling Agentic Workflows into LLM Weights: Near-Frontier Quality at Two Orders of Magnitude Less Cost
Simon Dennis, Rivaan Patil, Kevin Shabahang et al. (+1 more)
Agent orchestration frameworks have proliferated, collectively exceeding 290,000 GitHub
stars across LangGraph, CrewAI, Google ADK, OpenAI
Agents SDK, Semantic Kernel, Strands, and LlamaIndex. All follow the same pattern: an external orchestrator above the LLM, injecting instructions and routing decisions every turn. Recent work has shown this architecture is dominated for procedural tasks by simply providing the procedure in a frontier model's system
prompt [Dennis et al., 2026a], at the cost of consuming the context window, requiring a frontier model for every conversation, and exposing proprietary procedures to third-party providers. Compiling the procedure into the weights of a small fine-tuned model – creating a subterranean
agent – should resolve all of these concerns, and prior work (SimpleTOD, FireAct, SynTOD, WorkflowLLM,
Agent Lumos) has shown the technique works. Yet developer adoption has overwhelmingly favored orchestration. We identify three perceived barriers and address each empirically across travel booking (14 nodes), Zoom support (14 nodes, product-specific knowledge), and insurance claims (55 nodes, 6 decision hubs).
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All authors Simon Dennis, Rivaan Patil, Kevin Shabahang, Hao Guo