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Computer Science Machine Learning

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Friday 25 September

Machine Learning · Cross-listed from cs.AI

HCOE: Hyperbolic Clinical Ontology Embeddings from Biomedical Language Models

Biomedical language models (LMs) encode textual semantics but do not explicitly preserve medical code hierarchies. We present Hyperbolic Clinical Ontology Embeddings (HCOE) for hierarchy-aware clinical concept representation. HCOE maps frozen BioBERT embeddings into a Poincare ball, combining parent-side and child-side ontology-guided contrastive learning with coarse-to-fine ontology-path aggregation. It uses International Classification of Diseases (ICD) codes organized by Clinical Classifications Software (CCS) and Anatomical Therapeutic Chemical (ATC) medication hierarchies. Evaluations show that HCOE performs best on ICD/ATC clinical relation prediction and CCS-to-PheCode hierarchy transfer. On the MIMIC-IV dataset, HCOE also achieves the best performance on mortality prediction, readmission prediction, medication recommendation, and rare drug prediction.
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Machine Learning · Cross-listed from cs.HC

Skill Profiling with Attributable Reasoning (SPAR): A Wearable Analysis System for Boxing

A punch is a ballistic, full-body action driven by a kinetic chain running from the legs through the trunk to the arm, where a small sequencing error separates a scoring strike from a miss. Wearable sensors can capture this movement in the gym, but most deployable systems only classify which punch was thrown rather than assess how well it was thrown. We present Skill Profiling with Attributable Reasoning (SPAR), an eight-IMU garment and pressure-insole system that classifies each punch as expert or novice and treats an explanation of that prediction as feedback. Feedback is only useful if the person receiving it can act on it, so SPAR explains the prediction at three tiers, a per-joint attribution for the analyst, a counterfactual over kinetic-chain layers for the coach, and a plain-language narrative of the two for the athlete. Across 17 participants and 4,713 punches, SPAR reaches a leave-one-participant-out AUC of 0.842 (95% CI [0.769, 0.907] over participants). A frozen time-series foundation model encodes the joint-angle and plantar-force series, and a small transformer trained on the cohort classifies the encoding. We audit the two quantitative tiers and report six themes from a thematic analysis of interviews with six practicing boxing coaches.
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All authors Nibraas Khan, Hanchen David Wang, Enya Bullard, Ritam Ghosh, Ruj Haan, Aarav Agrawal, Meiyi Ma, Nilanjan Sarkar

Machine Learning

Differentiable RNA Secondary Structure Extraction for Deep Learning

Many deep learning approaches to RNA secondary structure prediction have recently been proposed. They typically output a weight matrix $W$ where $W_{ij}$ is an arbitrary weight for base $i$ pairing with base $j$. Converting this matrix to a predicted secondary structure or base-pairing probability matrix typically involves ad hoc and problematic downstream algorithms. Despite the importance of this conversion step, which we refer to as structure extraction, it has received relatively little attention in the literature. In this work, we analyze how the congruence between training and extraction methods affects prediction performance. To do this, we compare four extraction algorithms: a Nussinov-like dynamic programming method, maximum-weight graph matching and the greedy extraction algorithms used by SPOT-RNA and RiNALMo. These are evaluated on outputs from the pretrained RiNALMo model and three toy models trained in this paper: a differentiable Nussinov-like model, a binary cross-entropy (BCE) baseline, and a model that incorporates a novel symmetric doubly stochastic matrix (SDSM) normalization algorithm during training which allows it to output base-pairing probability matrices directly, without a separate extraction step. This SDSM normalization algorithm is differentiable and can be added inline to any deep learning model during training and evaluation. We find that the performance of each extraction method depends strongly on how the corresponding model was trained. Considering the toy models themselves, the SDSM model showed the strongest overall performance: it outperformed the BCE baseline under all four extraction algorithms and produced pre-extraction outputs closest to the ground truth. These results suggest that SDSM normalization is a tractable alternative to traditional structure extraction.
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All authors Tyler Illman, Max Ward, Marcell Szikszai, Ryan K. Krueger

Machine Learning

Mechanism-Aware Ensemble Conditioning for Data-Limited Emulation of Extreme Events

Extreme events in chaotic systems are difficult to learn from short trajectories because they are controlled by transient finite-time instability rather than by frequently observed bulk dynamics. We propose a mechanism-aware conditioning plug-in framework that turns a nudged coarse ensemble into a non-intrusive sensor of local instability geometry. In the small-noise regime, the ensemble covariance aggregates the same finite-time deformation kernels that govern local instability, providing a Jacobian-free proxy for the local amplification structure around a synchronized coarse trajectory. A small FiLM module injects statistics of this ensemble geometry into an otherwise unchanged backbone while leaving the coarse simulator unchanged. We demonstrate this interface in two distinct pipelines: a Transformer-style residual-attention corrector for a controlled low-dimensional chaotic system and a probabilistic recurrent STORN corrector for topographic two-layer quasi-geostrophic (QG) flow. In the low-dimensional benchmark, ensemble covariance directions co-activate with OTD modes and FiLM conditioning improves 99th-percentile exceedance-frequency errors over an identical no-context Transformer baseline. In QG, a fixed ensemble-conditioned FiLM-STORN model trained on only \(50\) time units substantially improves long-horizon rare-event statistics in the data-limited regime, including density-tail errors, exceedance frequencies, and spatial exceedance-area distributions relative to an unconditioned STORN trained on the same data; on averaged high-threshold exceedance diagnostics, it also outperforms the baseline STORN trained with $20$ times more high-resolution data. These results show that local instability geometry is not merely interpretable post hoc, but an actionable conditioning signal for data-efficient rare-event emulation.
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All authors Isabella S. Thiel, Juan Bello-Rivas, Yannis G. Kevrekidis, Themistoklis P. Sapsis

Machine Learning · Cross-listed from cs.CL

Beyond Mean Attention: Diversity-Aware, Layer-Wise Scoring for KV Cache Eviction

KV cache eviction methods such as SnapKV and PyramidKV rank tokens solely by mean attention over a small observation window. We study a unified score, $\mu_i+\lambda_1\sigma_i+\lambda_2\mathrm{corr}(i,S)$, adding attention dispersion across window queries and redundancy relative to selected tokens. For $\lambda_2<0$, the score penalizes similarity to selected tokens as in maximal marginal relevance (MMR), without extra forward passes. To test whether this relevance-diversity balance should vary with depth, we compare fixed global coefficients with three-segment and quadratic profiles. Only these depth profiles are searched on a development split under a $\sinh$ reparameterization. On all 16 English LongBench datasets with Mistral-7B at a budget of 64 entries per layer, a single global diversification constant improves 13 of 16 datasets (macro +1.1); the gain holds at budget 32 and narrows at 128. Per-dataset search finds no detectable layer structure on most datasets; on passage retrieval it finds a large one: a mid-layer sign flip that rewards similarity and is worth +9.6 over the baseline at budget 64 and, without re-tuning, +13.2 over the global constant at budget 128. Ablations attribute the gain to the redundancy term; replaying every accepted search state on the held-out test set separates genuine structure from tuning noise.
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Machine Learning · Cross-listed from math.OC

TR-SSQP: A Trust-Region Method for Constrained Stochastic Optimization under Heavy-Tailed Noise

We consider stochastic nonlinear optimization problems with deterministic equality constraints. While unconstrained stochastic optimization is well understood, the interplay between optimality and feasibility in the constrained setting poses significant challenges. Moreover, existing theoretical guarantees for constrained stochastic methods predominantly rely on bounded-variance assumptions, leaving the heavy-tailed noise regime largely unexplored. To address this gap, we propose a novel trust-region method within the stochastic sequential quadratic programming framework, termed TR-SSQP. Our method employs a normal-tangential decomposition in the step computation to balance optimality and feasibility. In addition, we incorporate a normalization mechanism in the design of the trust-region radius, together with Polyak momentum for gradient estimation, ensuring stable updates without gradient clipping. When the trust-region radius and the momentum parameter decay at appropriate rates, we establish global almost-sure convergence of the method. To the best of our knowledge, this is the first asymptotic convergence result for constrained stochastic optimization under heavy-tailed noise. We demonstrate the promising performance of the proposed method through extensive numerical experiments, including comparisons among its variants and with existing constrained stochastic optimization methods.
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Machine Learning · Cross-listed from cs.CR

Input-Layer Starvation: Why Per-Layer Pruning Breaks IoT Intrusion Detectors

Intrusion detectors for small Internet-of-Things (IoT) devices are usually compressed by pruning and judged by overall accuracy. We show that this hides a severe class-level failure, find its cause, and give low-overhead prevention and repair. On CICIoT2023, a two-layer convolutional detector pruned with uniform layer-wise magnitude pruning at 80% sparsity loses 16 points of accuracy but half of its macro-F1, the mean per-class F1 (0.542 to 0.271 over five independently trained models); 17 of 34 classes are materially damaged. Remaining weight count does not explain it: a perceptron and a transformer pruned to the same or fewer weights lose at most 0.096. The first layer does. It has 192 weights; uniform pruning leaves 38, 46% of its 64 filters lose every input weight, and fine-tuning under that starvation leaves the running means of the first normalisation layer displaced by up to 0.8 standard deviations in a few surviving channels, on which the deployed model collapses. Protecting those 192 weights, or pruning globally at the same sparsity, prevents the collapse (loss 0.013); recomputing the normalisation statistics on unlabelled training data, with no weight changed, repairs it (loss 0.039) and returns the false-alert rate to 33% (dense 29%). Damage shows a strong increasing dose-response in first-layer sparsity, starving a perceptron's input layer reproduces the collapse, and the pattern holds on TON_IoT. The failure is misattribution and false alerts, not silent evasion: on validation-selected blind spots, uniformly pruned detectors misattribute 72% of the traffic, against 50% with the first layer protected and 47% for the dense model.
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Machine Learning

When 10,000 Windows Are Not 10,000 Tests: Auditing Statistical Confidence in Sliding-Window Time-Series Classification

Sliding-window classifiers are often evaluated on thousands of overlapping test windows, even though neighboring predictions share observations and remain nested within recordings and subjects. Subject-disjoint evaluation prevents one form of leakage but does not make those test windows independent. We present a practical audit that maps three claims - performance on observed recordings, future recordings from observed subjects, and unseen subjects - to explicit aggregation rules and established dependence-robust inference. At 75% overlap, controlled simulations give 16.9% Type-I error for IID observed-record inference and 7.2% for session-centered Bartlett-HAC: a substantial improvement with residual miscalibration. Audits of frozen WISDM and HARTH predictions show that nearly fourfold growth in test rows yields only 1.75-1.94-fold variance-equivalent information growth. At that overlap, fixed-record paired Accuracy-difference intervals are 1.22-1.66 times the IID widths; this inflation is not universal at zero overlap. On HARTH, paired Accuracy-difference intervals include zero across three overlap settings, whereas Macro-F1 favors MiniROCKET. Independent recomputation, common-session checks, class-level results, and separately seeded calibration make the audit's scope and limitations inspectable. The resulting workflow distinguishes additional predictions from additional independent evidence.
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Machine Learning

NEMSim: Learning Control-Conditioned Multi-Event Physical Dynamics via Executable Event-Mechanism Priors

High-fidelity simulation of control-conditioned multi-event physical systems is computationally expensive, especially across broad control spaces and long trajectories. In these systems, macroscopic evolution emerges from localized discrete events whose intensities and effects depend on process controls and evolving local states, while the available system knowledge is typically expressed as event-attribute descriptions. Purely data-driven surrogates must infer these event effects from limited trajectory coverage, which can hinder generalization to unseen control regimes. Physics-guided methods instead primarily build on equation-level constraints or differentiable solvers rather than discrete event-rule priors. We therefore propose NEMSim (Neural Event-Mechanism Simulator), which compiles predefined event-attribute descriptions into an executable transition structure linking control-dependent event intensities, prior-guided mechanism attribution, and state-dependent responses. To enable evaluation of control-conditioned multi-event dynamics with explicit system knowledge, we construct a 3D KMC-based benchmark pairing high-fidelity trajectories with explicit event rules, standardized splits, and evaluation protocols. Across three settings, NEMSim reduces Avg. RMSE by 58.9%-81.3% relative to the strongest baseline in each setting. It also remains best in the data-efficiency study with training-data fractions down to 10%. Mechanism analyses further show that these gains arise from executable rule integration rather than prior access or architecture alone.
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All authors Junsong Yu, Junjie Xie, Pengwei Liu, Dong Ni

Machine Learning · Cross-listed from stat.ML

Parameter Estimation for Unnormalized Discrete Models via Empirically Localized Deformed Bregman Divergence

Estimation of parameter of probabilistic models is an important task in the field of machine learning.For models of discrete variables, calculation of the normalization constant of model is sometimes difficult and a lot of researches have been done to avoid the calculation of the normalization constant. In this paper, we tackle with the difficulty by combining a technique of empirical localization and a deformed Bregman divergence.The technique of empirical localization makes it possible to drastically reduce computational cost of the calculation of the normalization constant, and in addition, appropriate choice of the deformation for the Bregman divergence can invest the proposed estimator with various kinds of favorable statistical properties, such as efficiency or robustness against outlier noise.
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Machine Learning

LUMO (Lightweight Unified Multilingual Orchestrator): A Privacy Preserving Offline Voice Assistant

Reliable voice interaction is essential in environments with limited internet connectivity and strong privacy. However, most existing voice assistants depend on cloud-based services, which leads to latency issues, dependency on internet access, and privacy vulnerabilities. This research presents LUMO (Lightweight Unified Multilingual Orchestrator), a privacy preserving offline voice assistant designed for edge computing environments. This system integrates local Automatic Speech Recognition (ASR), locally deployed quantized Large Language Model (LLM), and Text-to-Speech (TTS) synthesis into a fully offline pipeline running on a Raspberry Pi 5 with 8 GB RAM. To enable efficient operation on resource constrained hardware, the language model is compressed using 4-bit GGUF quantization, which reduces memory usage while preserving practical conversational capability. Existing edge based voice assistants Mycroft provides partial offline functionality without a generative LLM, with an approximate latency of ~5 s and power consumption of ~12 W, while Rhasspy supports full offline operation but lacks generative capabilities, with ~3 s latency and ~11 W power usage. In contrast, LUMO achieves a Word Error Rate (WER) of 6.8% for short English utterances in low noise conditions, an end-to-end response latency of 2.0-4.0 s, and a lower peak power consumption of approximately 9.0 W. The system also achieves effective offline recognition for Bangla speech, supporting multilingual accessibility in low resource settings. By operating entirely offline, LUMO provides strong data privacy, reduced need for cloud connectivity, and suitability for privacy sensitive edge execution such as rural healthcare, education, and disaster response scenarios.
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All authors Md. Mehedi Hasan Naeem, Mst. Kamrunnahar Ruma, Nafiza Anjum, Shakila Sultana, Md. Sujan Ali

Machine Learning · Cross-listed from cs.IT

Threat-Aware Energy-Efficient Deployment for Dynamic UAV Networks: A Multi-Agent RL Approach

Ensuring operational safety in threat-prone environments remains a critical challenge for multi-UAV networks serving as aerial base stations. This paper proposes an efficient framework to maximize global energy efficiency (EE) while promoting safe operation through threat-aware clustering and reward-based safety enforcement. The proposed framework is executed in three steps. First, a threat-aware K-means (TAKM) algorithm determines the minimum required UAVs and computes safe initial placements. Second, an optimal matching stage assigns physical UAVs to these centroids to minimize energy expenditure. Third, a threat-aware multi-agent twin delayed deep deterministic policy gradient (MATD3) algorithm dynamically optimizes trajectories, power, and user associations. Simulation results show that the proposed framework achieves zero observed safety violations in the considered scenarios while achieving superior EE and faster convergence than other learning methods and non-clustering baselines. Compared to heuristic optimization, the proposed framework outperforms the greedy particle swarm optimization (GPSO) and achieves performance comparable to that of the optimized PSO (OPSO), while incurring significantly lower online deployment computational complexity. Furthermore, the proposed framework demonstrates effective generalization to unseen user distributions, large UAV fleets, and different threat geometries, while maintaining zero safety violations.
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All authors Faisal Al-Kamali, Hussein A. Ammar, Francois Chan, James H. Bayes, Yasser Gadallah, Mohamed H. Ahmed

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

On the Limits of Univariate Deep Learning for Significant Wave Height Forecasting

This study conducts a systematic hyperparameter search across five deep learning architectures, DLinear, LSTM, PatchTST, ResAttLstm, and Mamba2, and nine context lengths (1-168 h) for single-station significant wave height (Hs) forecasting on NDBC buoy 41009, followed by re-evaluation of the best configurations on a 47-buoy, 37-year corpus. The five families converge to a common performance level on the multi-buoy evaluation (between-family SD = 0.0014 m^2, 0.8% of the grand mean), a spread dwarfed by the 4.83x cross-dataset MSE shift between buoy corpora. All multi-buoy trials beat persistence (mean skill +0.062), but no architecture consistently outperforms the others. On the single-buoy experiment, skill peaks at 12-24 h where five trials fall below persistence, per-family Q4/Q3 test MSE ratios range from 2.4 to 2.6, and deep models underperform persistence for the most extreme 1% of waves. These findings are consistent with the interpretation that persistence already captures the dominant linear-inertial signal in univariate Hs, and that architecture engineering under this univariate input setting has reached diminishing returns: cross-buoy variance, not model class, dominates forecast error. Future work should prioritise atmospheric covariates, zero-shot cross-buoy transfer, and decomposition of Hs into swell and wind-sea components. By establishing a rigorous reference baseline for what univariate Hs models can and cannot achieve, this study provides a benchmark against which future multivariate and physics-informed approaches can be calibrated, and offers practical guidance for lightweight buoy-level forecasting in mid-latitude storm-dominated and swell-mixed environments.
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Machine Learning

PixSim: a calibrated open-source simulator of instant-payment fraud, recovery and interdiction under analyst capacity constraints

Brazil's Pix settles about 5.9 billion instant, irreversible transfers a month. A fraudulent transfer can be recovered only while the funds remain in a traceable account, and in 2025 the Central Bank's recovery mechanism (MED) returned 9% of accepted contested value. Interdiction therefore has to happen before settlement, by routing each transaction to pass, human review or block, under a finite analyst team and a regulatory hold window. To our knowledge no public simulator jointly models irreversible settlement, a regulated recovery mechanism, downstream fund dispersal and capacity-constrained review. We present PixSim, an open-source simulator of the Pix rail with these elements, calibrated to Banco Central do Brasil open data, with every parameter sourced, calibrated to one published observable, or registered as an assumption. With the model frozen, full-scale runs reproduce the 2025 recovery rate within 0.006 and its decomposition within 0.02; the February-April 2026 window is reported as a misfit and the May 2026 tracing regime as a projection. On a benchmark with a payer-side scorer, four reference policies and ten scenarios, within the simulated mule model: recovery after settlement is constrained by dispersal speed; staffing by the arrival profile cuts a fixed rule's alert expiry from 52% to 2% at constant hours; halving the team removes a fixed threshold-and-block rule's advantage over a queue-aware rule, on loss and on loss plus false-block harm (+0.106 of victim value, positive on all twenty paired seeds), while a reversal at two thirds of the team was not confirmed on independent seeds; and a synthetic scorer of held-out AUC 0.82 cuts lost value by about a quarter. Code and data: https://doi.org/10.5281/zenodo.22948895
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All authors Bashir Zeimarani, Alireza Khatib, Somayeh Mousavinasr, Carlos Maurício Serodio Figueiredo

Machine Learning · Cross-listed from cs.CV

StarWM: Self-Supervised Trained Attention Routing for Robust World Models

A robust world model must strike the balance between faithfully capturing environmental dynamics and abstracting away from irrelevant content. While reconstruction-based world models ensure faithful supervision, they misallocate representational capacity by pixel area rather than dynamics relevance for visual tasks, which can cause task-irrelevant content to dominate the learned representation. Alternatively, reconstruction-free methods avoid this bias but risk discarding possibly relevant information. We propose StarWM, which uses a cross-attention module trained on self-supervised dynamics to decide where reconstruction applies. A dual-stream decoder then restricts reconstruction to the attended regions, with stop-gradient barriers preventing interference between the two objectives. These components allows reconstruction to supervise the visual content of attended regions without contaminating the latent with non-predictive information. On DeepMind Control with dynamic video backgrounds, default (reward-free) StarWM achieves the strongest performance under random-frame distractors and substantially outperforms reconstruction-based baselines under sequential video. In addition, its reward-augmented variant matches or exceeds reconstruction-free methods on sequential video, achieving the highest overall return across all distractor regimes. Mechanistic probing confirms StarWM preserves state attributes with near-perfect fidelity through long-horizon imagination while systematically discarding distractors.
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All authors Zeqiang Zhang, Fabian Wurzberger, Maximilian Otte, Daniel Schmid, Sebastian Gottwald, Arne Peter Raulf, Daniel Alexander Braun

Machine Learning

Population loss in shallow ReLU networks: Bias & families of critical points

The main result presented is a formula for the population loss in the student-teacher kernel model that is applicable to shallow ReLU networks with bias. This extends previous work of Choo and Saul (2009) and Brutzkus and Globerson (2017). The formula makes essential use of Owen's T-function. The necessary theory of the T-function is given and a high precision coding using MPFR for the T-function, based on an algorithm of Komelj (2023), is available on request. It is shown that various families of spurious minima described in past papers of Arjevani and the author extend to biased networks and that the loss is always strictly decreased when bias is added. The change in landscape geometry caused by adding bias appears to be relatively mild. Only the simplest examples are described in this paper where it is assumed that the number of inputs is equal to the number of neurons (this restriction is for reasons of length). A review of relevant previous results on unbiased networks is included. Aside from Gaussian statistics, the main mathematical tools and ideas come from analytic geometry (analytic and subanalytic sets, the Curve Selection Lemma).
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Machine Learning · Cross-listed from cs.GR

DiffusionShadow: Diffusion-based Shadow Caching for Neural Volume Rendering

Implicit neural representations (INRs) have gained momentum in scientific visualization due to their compactness and scalability to large datasets, making them well suited for integration with direct volume rendering (DVR). However, real-time volume rendering of INR with advanced illumination effects, such as shadows, remains computationally expensive, as evaluating shadow terms via ray marching is costly. Alternatively, precomputing and storing shadows for many lighting directions is prohibitive in both memory and storage. To address this, we introduce a diffusion-based shadow caching framework that compresses a vast set of pre-calculated shadow INRs into a single diffusion model. Rather than focusing on generalizing to unseen directions, our method effectively memorizes and reconstructs a dense set of pre-trained lighting conditions on the fly. We first encode a collection of shadow coefficient volumes as shadow INRs, and then train a diffusion model conditioned on lighting direction to predict the corresponding shadow INR weights at inference time. This design integrates directly with standard INR renderers without additional runtime sampling. Experiments show that our approach achieves faster rendering than traditional methods while bypassing the massive storage bloat of independent INRs, producing shadows that closely match most of the reference results.
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All authors Kai-Chen Tung, Qi Wu, David Bauer, Mengjiao Han, Silvio Rizzi, Kwan-Liu Ma

Machine Learning

Causal Retention in Interactive Agents: Interface Factorization and Selective Adaptation

Task performance need not determine which intervention mechanism an agent retains. We study causal retention: whether a frozen learned state answers a mechanism-probe map fixed independently of training, including action, context, direct target, value, and delay. For finite structural causal model classes, the optimal probe error is a Bayes decision risk. It vanishes exactly when every learning-interface fiber lies within one probe-answer fiber; any state obtained by post-processing that interface inherits the same lower bound. A posterior-coverage theorem characterizes budgeted retesting, while an exact edit decomposition shows that the shifted set is the unique support of an error-free target update. Causal Core implements these conditions through evidence-gated writing, readout filtering, temporal credit, hidden-context setup, and local diagnostic updates. Experiments cover finite causal systems, continuous simulators, an official TD-MPC2 world model, and Qwen2.5-7B-Instruct. A frozen Qwen last-layer probe reaches 0.958 balanced accuracy on source mechanisms but 0.583 on changed delays; the gated mechanism state reaches 1.000 and accepts only 0.056 of synchronized-readout candidates. In TD-MPC2, five target states per actuator recover effect-sign accuracy from 0.057 to 0.948 without degrading stable responses. Causal retention is therefore distinct from task sufficiency and source-domain decodability.
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All authors Shengjun Zhang, Tingyi Liu, Dong Xie, Yunlong Dong, Xiang Wang, Cheng Zeng

Machine Learning · Cross-listed from stat.ML

MARCEDES: Score-based causal discovery under non-Gaussianity with continuous optimization

We consider the problem of learning the underlying causal directed acyclic graph (DAG) structure corresponding to a structural equation model (SEM) with non-Gaussian errors. Motivated by an intentionally misspecified non-Gaussian SEM with all Laplace errors, we first introduce the mean absolute residual risk, defined over the space of all real matrices, and show that, asymptotically, the risk of the true weighted causal DAG matrix is strictly smaller than that of any other matrix. Nevertheless, to enhance generality and account for high-dimensional and finite-sample settings, we further incorporate row-specific sparsity penalties along with a soft DAG constraint to derive a continuous score function over the space of real matrices. Accordingly, we propose a score-based DAG learning method, named MARCEDES, formulated as an unconstrained score minimization problem, which can be efficiently solved using gradient-based optimization techniques, thereby circumventing the challenges associated with constrained optimization. Furthermore, we develop a computational algorithm to handle the non-smoothness of the score objective and to enable optimal tuning of row-specific sparsity penalties under a generalized Bayes framework. Finally, we demonstrate the efficiency and improved performance of the proposed method over existing approaches through an extensive simulation study.
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Thursday 24 September

Machine Learning · Cross-listed from cs.AI

Faithfulness Without Anchors: A Position Paper on the Structural Misalignments of Explainable AI Faithfulness Metrics for Feature Importance

Explainable Artificial Intelligence (XAI) tools have often been presented as methods to increase trust in machine learning models by making aspects of their algorithms more human-understandable. However, evidence accumulated over the last decade points to an overall failure of this objective, instead promoting overreliance on incorrect predictions, which can subsequently lead to algorithmic aversion. Rather, XAI appears to function primarily as a debugging tool, useful for obtaining anecdotal insights into, for example, features learned by the model. One of the main issues underlying this limitation is that XAI methods often oversimplify the inner workings of the model, resulting in misalignment between the explanation and the model itself - a behavior referred to as unfaithfulness or infidelity. Faithfulness can be interpreted as the degree of approximation between an explanation and the model. Computing faithfulness in a rigorous manner would thus make it possible to quantify one of the various elements of trustworthiness of an explanation. However, existing metrics present significant limitations, making this quantification either infeasible or computationally expensive. In this position paper, we outline five major shortcomings of current faithfulness metrics and propose four possible avenues for research to bolster their reliability.
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All authors Marco Zullich, Emily Schiller, Ivan Gentile, David Dembinsky, Adriano Lucieri, Kilian Göller, Steffen Seitz

Machine Learning

Task-Oriented Key-Layer KV Communication for Efficient Latent Multi-Agent Collaboration

Large language model-based multi-agent systems improve complex problem solving through collaboration, while latent communication directly transmits model internal states to avoid the high inference costs of natural language. However, existing KV-based latent communication methods prioritize sender-side state fidelity, leading to substantial communication and computation overhead and potentially introducing redundant information. To address these limitations, we revisit latent communication from a task-oriented perspective, shifting its objective from sender-side state fidelity to receiver-side task sufficiency. Under this formulation, we propose KITE, a training-free framework for task-oriented key-layer KV communication. KITE identifies a task-effective key layer using a receiver trajectory distortion criterion, transmits only the latent working memory associated with the key layer, and further uses the same layer as the entry point for autoregressive latent reasoning. Experiments on seven benchmarks across two model families and three model scales show that, compared with full-layer KV communication, KITE reduces communication volume by 28-36$\times$, achieves up to 3$\times$ end-to-end inference speedup, and improves accuracy by up to 23.3 percentage points.
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All authors Dongsen Zhang, Peipei Li, Zekun Li, Wenjun Xu

Machine Learning

HydroSphere: A Framework for Governed, Self-Healing Wastewater Infrastructure

Rapid industrialization and urban growth are increasing pressure on water quality and wastewater treatment systems, while conventional treatment plants often rely on static monitoring and control strategies that cannot easily adapt to changing pollutant conditions. This paper presents HydroSphere, a governed, data-driven framework for real-time water quality monitoring, forecasting, treatment optimization, and fault recovery. HydroSphere is evaluated using 2.82 million water-quality measurements collected between 1940 and 2023. The framework integrates three main components. First, a hybrid TCN-LSTM model performs multi-step forecasting across seven water-quality parameters, achieving an RMSE of 0.1417, MAE of 0.1047, and R2 of 0.3596. Second, the Adaptive Dosage Optimization Module uses PPO reinforcement learning to adjust chemical dosing, achieving a mean step reward of 1.059 compared with 1.017 for a fixed-dose baseline. The results also show that unconstrained reward optimization can lead to excessive dosing, demonstrating the need for explicit operational safeguards. Third, the SHADE anomaly detection module uses a deep autoencoder to identify sensor and process anomalies, achieving an F1 score of 0.651 under controlled fault injection. HydroSphere combines these capabilities with tiered governance, deterministic safety bounds, and human oversight to support safer and more adaptive water infrastructure. The framework provides a scalable foundation for intelligent wastewater management and supports the objectives of UN Sustainable Development Goals 6 and 13.
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All authors Prabu, Fancy C, Suresh A, Srini Ramaswamy

Machine Learning

Just for FUNS: LLM-Guided Spatio-Temporal Graph Node Generation for Forecasting Unobserved Node States

Spatio-temporal forecasting is a cornerstone of logistics, urban planning, and intelligent transportation systems. However, constrained by deployment costs and maintenance resources, sensor networks often lack comprehensive spatial coverage, rendering Forecast Unobserved Node States (FUNS) a critical yet formidable challenge. Conventional models rely on historical observations and typically falter when encountering nodes without prior records. To address this, we redefine the problem as a conditional generation task on spatio-temporal graphs and propose GenST, a framework that introduces Large Language Models (LLMs) as a semantic bridge, leveraging a pre-trained LLM fine-tuned to extract rich semantic features from node descriptions, such as functional zones and road network structures, to compensate for missing spatio-temporal signals. Specifically, we design a two-stage generative architecture: a Spatio-Temporal VAE first compresses spatio-temporal dynamics into a latent space, followed by a Generative Transformer (GenT) that reconstructs the future states of unobserved nodes from noise, guided by multi-modal conditions including semantics, geographic coordinates, and neighborhood contexts. Experiments on six traffic and two non-traffic datasets show GenST significantly outperforms existing baselines in zero-shot prediction tasks, demonstrating the practical potential of semantic-guided generation for mitigating spatio-temporal data sparsity.
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All authors Shuhao Li, Weidong Yang, Changan Liu, Wei Zhuo, Yingbo Zhou, Fan Zhang, Siqiang Luo

Machine Learning

DenoFlow: Flow Matching for SSVEP Denoising under Real Physiological Artifacts

Electroencephalography (EEG)-based brain-computer interfaces (BCIs), particularly steady-state visual evoked potential (SSVEP) systems, are highly vulnerable to noise and artifacts, which severely degrade decoding accuracy. Although recent denoising approaches have shown promise, they are fitted without paired ground truth, can settle on reproducing their input, and are optimized on waveform distance alone, which says nothing about whether the output stays decodable. To address these issues, we propose DenoFlow, which casts SSVEP denoising as transport: instead of learning a direct map from a contaminated trial to a clean one, a field network regresses the velocity of the straight path between them, following the rectified-flow formulation, and denoising integrates that field forward from the observation. The field network is an encoder-decoder that sees the contaminated trial at every layer and the path position at its bottleneck, and a classifier trained alongside it supervises the integrated output. Because the observation itself is both the conditioning input and the starting point of the integration, the model never generates a trial from noise, and training reduces to regression, removing the adversarial min-max game. To obtain paired data on datasets with no ground truth, we injected physiological artifacts of the recorded electromyography (EMG) and electrooculography (EOG) signals under a controlled signal-to-noise target. Experiments on two public SSVEP datasets with five popular SSVEP decoders showed that DenoFlow outperformed seven baseline denoising models on both signal fidelity and downstream decoding accuracy. Code is available at https://github.com/wzwvv/DenoFlow.
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Machine Learning

The Cost of Long Memory: State, Context, and Stability Complexity in Sequence Models

Long-range temporal dependence poses a resource question for sequence models: for a specified predictive-memory law, how much state, context, or dynamical criticality is required in order to forecast accurately? We study this question directly in forecasting risk. For algebraically decaying predictive memory, we prove matching upper and lower approximation bounds for exponential and finite-state modes. The best $r$-mode forecast error decays as $e^{-\Theta(\sqrt r)}$, so reaching forecast error $\tau$ needs $r=\Theta(\log^2(1/\tau))$ states or modes. Earlier curse-of-memory results establish broad limitations of stable recurrent models under different approximation notions; here both sides match for one canonical predictive target in forecast risk, which fixes the optimal resource exponent for that target. We then show that genuine fractional long memory changes the geometry itself. In particular, forecast error is measured after fractional integration, prediction from a finite context of length $L$ has an exact $1/L$ leading order, and a fixed fractional strength $d$ keeps the square-log state-complexity law. Near the short-memory boundary, we identify the relevant $d^2$ and $d^4$ scales and give a uniform constructive law in the intermediate regime. For nonlinear contextual recurrences with uniformly contractive state dynamics, we derive an exponential first-chaos envelope and an explicit necessary condition that relates forecast accuracy to the contraction margin. Vanishing forecasting error on an algebraic target forces the recurrence quantitatively toward criticality, a condition that is necessary and not by itself sufficient. Finite-sample Kullback–Leibler calculations further connect the predictive geometry to statistical information. Theorem-matched experiments with contractive state-space, gated recurrent, and attention models reproduce the state and stability predictions.
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Machine Learning

Bounded Autonomy and Verifiable Safety for Agentic AI Enabled Automation

Agentic AI-enabled automation cannot be safely deployed in high-stakes environments on probabilistic reasoning alone. A recurring risk is epistemic drift: as reasoning deepens, system behavior may move away from subject-matter-expert constraints for safe operation. This paper presents BRaVeS, a bounded reasoning and safety-governance framework termed the Defensible Next-Gen Reasoning System (DNRS). BRaVeS encodes SME-defined constraints as invariant anchors, proposes MoDA-Style (Mixture of Depths Attention) depth-aware access as a candidate mechanism for keeping these anchors visible during inference, and uses a state hierarchy (SMARtAutonomy) to reduce autonomy as epistemic risk increases. To formalize bounded recovery, we introduce the Lyapunov-Bounded Consensus Framework (LBCF), which maps continuous epistemic-risk signals into a finite K-bag abstraction and applies shielded state transitions that enforce Lyapunov-style energy descent or route the system to a human-mediated terminal state. The formal convergence result applies to the finite LBCF abstraction under fixed thresholds and feasible-shield assumptions; it does not prove safety of the full continuous neural activation space. We evaluate the framework through a discrete event Monte Carlo simulation using HAI 22.04 industrial-control-system time-series data with synthetic noise and sensor-degradation regimes. Across the tested parameter-grouping strategies and thresholds, the LBCF process achieved finite-step convergence and no safety-guard violations. These results provide simulation-based evidence that bounded governance behavior can be enforced under the stated abstraction, while motivating future work on deployed transformer implementations, live human-in-the-loop validation, and broader adversarial settings.
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Machine Learning

Event-Driven ML Pipeline Orchestration for Manufacturing: An AWS Industry Experience

We present an industry experience report on three years of operating an event-driven cloud infrastructure for continuous machine learning training in automotive manufacturing. Our system orchestrates GPU-accelerated training of product-specialized model pairs, a physics prediction model and a reinforcement-learning control policy, across multiple plants, coordinating long-running GPU workloads triggered by manufacturing events. The architecture combines Amazon ECS with EC2 GPU capacity providers, SQS-based messaging with dead-letter queues, and an admission-controlled Lambda dispatcher that enforces cluster concurrency limits. A Conductor orchestrator on ECS Fargate initiates dependency-aware retraining chains on a weekly schedule. The entire infrastructure is codified in modular Terraform with multi-account separation. From 40000+ production training jobs we report a 72-78% cost reduction versus always-on GPU infrastructure. A discrete-event simulation confirms that admission control is necessary (naive dispatch loses 65% of jobs) and that queue-draining matches AWS Step Functions latency while eliminating per-job startup overhead. We provide lessons learned and release the simulator and Terraform module skeletons as open-source artifacts.
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All authors Zhengyang Gu, Thomas Cook, Fredaljohn Rohrbaugh, Joseph E. Hernandez, Chris Couch

Machine Learning

Stable and Counterfactually Robust Physical World Models from Imposed Structure and Learned Physics

A world model learns to forecast how a physical system evolves from recorded trajectories, yet the systems it imitates obey physical laws that are neither fully supplied nor reliably respected. The model may create energy, drift or diverge over long rollouts, and answer a changed law query using the law observed during training. We ask how much general physical structure must be hard coded into a world model, and how much system-specific physics can then be learned from data, for four properties to hold simultaneously: second law compatible dissipation, correct responses to interventions on physical parameters, stability out to one hundred times the training horizon, and robustness to disturbances. The imposed structure is general: dynamics are generated from the gradient of a learned energy through a fixed reversible operator, the energy is restricted to a confining class, a one way port can remove energy but never inject it, the drive channel is known, and the intervened parameter enters through a separable map. The model learns the energy functional, constitutive relations, dissipation rate, and couplings. Across an electromagnetic cavity, a particle in cell grid, and a shallow-water fluid, models with roughly nine thousand parameters recover constitutive functions with unit slope, separate conserving from dissipating worlds by four orders of magnitude using a single set of weights, and transfer changes in sign, magnitude, rate, and gravity to unseen values, where equal-capacity models without the same structure perform at chance or worse. A nonlinear constitutive law is recovered with its curvature preserved and predicts a held-out intervention $2$-$17\times$ better than a converged linear model.
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All authors Yufeng Wang, Parivesh Priye, Lu Wei, Haibin Ling

Machine Learning · Cross-listed from cs.CV

Multi-Resolution Feature Fusion U-Net for Magnetic Resonance Imaging Segmentation

The segmentation of anatomical structures in medical images and particularly in MRI scans, is essential for clinical diagnosis and monitoring disease progression. While Deep Learning (DL) architectures, such as U-Net and its extensions are very effective in medical image segmentation tasks, they often struggle with preserving fine-grained details and global contextual information. This is especially challenging for MRI data segmentation, where anatomical structures are characterized by irregular boundaries and variations in shape, contrast, and scale. To address this challenge, we propose a novel DL architecture for MRI segmentation across different anatomical structures. Specifically, the architecture introduces a module, named Multi-Resolution Feature Fusion (MRFF), that can be easily integrated into any U-Net-like architecture. The MRFF is integrated in all levels of an encode-decoder structure, along with attention mechanisms and skip connections to extract features at multiple resolutions, enabling the model to capture both fine-grained details and global contextual information. We evaluate the MRFFU-Net on two publicly available benchmark MRI datasets of different anatomical targets; one for Cerebrospinal Fluid (CSF) segmentation in spinal MR scans, and one for left atrium cardiac segmentation, from the Medical Segmentation Decathlon (MSD) challenge. Experimental results indicate that MRFFU-Net outperforms state-of-the-art models across multiple evaluation metrics, demonstrating its effectiveness in MRI segmentation.
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Machine Learning

Coupling Perception and Reasoning in Federated Multimodal Graph Foundation Models

Federated multimodal graph foundation models (GFMs) aim to adapt pretrained multimodal models to decentralized graph data, where each client owns a private multimodal graph and cannot share raw information. These models typically combine a multimodal Encoder that extracts semantic evidence from heterogeneous modalities and a graph neural network (GNN) that performs relational reasoning over graph structures. However, existing federated GFM adaptation methods mainly update graph-side modules while keeping the multimodal Encoder frozen, limiting adaptation to how information is propagated while fixing what information is extracted. Through empirical studies, we reveal that Encoder and GNN adaptations are not independent: Encoder adaptation is affected by graph relations, while cross-client module swapping reveals substantial pairing sensitivity between separately parameterized Encoder and GNN updates. Motivated by this observation, we propose FedCORE, a federated adaptation framework that represents Encoder and GNN updates through a shared low-dimensional latent state. FedCORE jointly optimizes this core from multimodal and structural signals and performs federated evolution directly in the shared state space, preserving compatibility between perception and reasoning adaptations. Extensive experiments demonstrate that FedCORE reduces the Encoder–GNN pairing gap from $30.6$ to $5.9$, corresponding to an $80.7\%$ reduction over independent joint adaptation.
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All authors Zekai Chen, Xun Wu, Hailin Zhang, Xunkai Li, Yu Liu, Kairui Yang, Muyan Huang, Xuaner Chen, Rong-Hua Li, Guoren Wang