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Computer Science Machine Learning

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Sunday 31 May

Machine Learning · Cross-listed from cs.DC

Hierarchical Online Prompt Mutation with Dual-Loop Feedback for Guardrailed Evidence Document Generation: A Production-Evaluation Case Study

High-stakes production document-generation systems require language models to be adaptive, evidence-grounded, and auditable. We present HOPM, a hierarchical online prompt mutation framework evaluated on a real marketplace dispute-evidence workflow. HOPM treats prompts as online policies: a family/version router selects a prompt, deterministic guardrails attribute failures to mutable prompt-token categories, and dual feedback from human review and an automated judge updates both routing and mutation priorities. The primary evidence is an observed matched production-evaluation ablation: seven variants are evaluated on the same 600 cases each, enabling component comparisons against static prompting, manual iteration, bandit-only routing, mutation-only adaptation, human-only feedback, auto-judge-only feedback, and full dual-loop HOPM. Full HOPM improves count win rate over a static control from 34.7% to 45.7% (+11.0 pp; paired McNemar p = 1.31e-11) and amount-weighted win rate from 22.3% to 41.4% (+19.1 pp; 95% paired bootstrap CI [10.3, 28.9] pp). It also increases mean Likert quality from 3.18 to 4.40 and reduces issue-flag rate from 15.3% to 5.2%. Supporting review artifacts cover 770 generated-text reviews, 318 labeled reviewer exports, a 10-case/61-rating calibration slice, and a 70-case/350-rating OCR benchmark; these artifacts calibrate rubric, guardrail, title-risk, and OCR-risk interpretation rather than substituting for the production ablation. The paper includes control setup, sample sizes, confidence intervals, paired tests, prompt-token categories, pseudocode, schema, rubric, guardrail taxonomy, and a constructed example so the evaluation structure can be reproduced without exposing proprietary evidence.
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Machine Learning · Cross-listed from physics.flu-dyn

Emergent Transfer of a Physics Foundation Model from Simulation to Laboratory Turbulence

Whether physics foundation models can be usefully deployed on laboratory experiments remains an open question for scientific machine learning (ML). We test this question on the Rayleigh-Taylor instability (RTI), a ubiquitous and demanding fluid instability seen from tabletop flows to supernova explosions, in which small perturbations at a density interface grow into chaotic, multiscale mixing as a lighter fluid accelerates into a heavier one. Standard ML models struggle with RTI, and despite over a century of theoretical, numerical, and experimental work, it carries an unresolved discrepancy between simulation and experiment: the late-time mixing growth rate, $\alpha$, measured in most laboratory experiments ($\sim$ 0.06-0.07), is roughly three times the value from idealized direct numerical simulations (DNS, $\sim$ 0.02). The gap's origin remains debated. These properties make RTI a stringent test for a question that matters well beyond RTI: can foundation models trained only on simulations generalise to sparse, messy, and noisy laboratory settings? We finetune Walrus, a foundation model for continuum dynamics, on three or fewer DNS realizations and recover key RTI physics over long rollouts. Applied zero-shot to sliding-barrier laboratory data, the finetuned model leaves the DNS-like regime and enters the observed growth band, having never seen a single experimental sample. These results provide independent, data-driven evidence that initial conditions play a crucial role in the longstanding sim-experiment gap in $\alpha$. The model also generalises zero-shot to stable stratification, a buoyancy regime absent from training, correctly slowing mixing-layer growth. Together, our results show that foundation models can generalise well beyond their training data, predicting laboratory behavior and unseen physical regimes, opening new ways to probe longstanding simulation-experiment gaps.
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All authors Payel Mukhopadhyay, Stefan S. Nixon, Romain Watteaux, Michael McCabe, Alberto Bietti, Kyunghyun Cho, Cristiana Diaconu, Irina Espejo Morales, David Fouhey, Siavash Golkar, Tom Hehir, Shirley Ho, Jake Kovalic, Geraud Krawezik, Francois Lanusse, Tanya Marwah, Rudy Morel, Mariel Pettee, Helen Qu, Jeff Shen, Hadi Sotoudeh, Stuart B. Dalziel, Miles Cranmer

Machine Learning · Cross-listed from stat.ML

Computation-Aware Kalman Filtering with Model Selection for Neural Dynamics

Due to their explicit priors and ability to model uncertainty, Bayesian methods have played a major role in dynamical latent variable modeling of single-cell neural recordings. However, modern-sized datasets have made overparameterized deep networks the preferred methods of choice due to their predictive power and favorable computational scaling. While many posterior approximations exist, all incur approximation errors. Recent work accounts for this error in the form of computational uncertainty but comes at the cost of quadratic complexity and assumes fixed model hyperparameters. Here we extend this development to model selection, including a novel training loss and optimization scheme, which yields tractable inference in large state-spaces. We introduce a framework, the Computation-Aware State-Space Model (CASSM), specifically designed for the scale-imbalanced regime, where the number of trials is significantly lower than the number of recorded neurons. In this regime, for both synthetic and real data, we show that our method is competitive with data-hungry deep networks, with significantly improved uncertainty calibration over previous attempts to scale Bayesian methods. Our experiments provide a roadmap to neuroscience researchers in choosing from a host of potential dynamical latent variable models given key dataset properties and constraints.
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Machine Learning · Cross-listed from cs.AI

An Enigma of Artificial Reason: Investigating the Production-Evaluation Gap in Large Reasoning Models

Studies of human reasoning have shown that people are typically stronger at evaluating reasoning than producing it from scratch. In contrast, large reasoning models (LRMs) are trained to excel at producing long chains of reasoning to solve complex problems. How then do LRMs perform at evaluating reasons? We investigate this with the Valid-Answer-Invalid-Reasoning (VAIR) dataset: math problems and solutions with trivial reasoning flaws but valid answers, designed to isolate reasoning evaluation from the confound of reasoning production. Unlike humans, who we find are only 6% worse at grading than solving such problems, we find a substantial production-evaluation gap in LRMs: frontier models score as low as 48% when evaluating VAIR solutions, despite near-perfect solution production. Why this enigma? Through chain-of-thought (CoT) analysis, we find evidence of an answer confirmation bias: LRMs often produce then check for the correct answer instead of carefully verifying each step, fabricating rationalizations even when noticing anomalous reasoning. Linear probes corroborate this, showing that while LRM activations encode some representation of valid reasoning, they fail to robustly represent VAIR solutions as invalid. Causal patching of the final answer's representations causes LRM verdicts and activations to flip, demonstrating that answer validity is responsible for models' confirmation biases. These findings indicate an outstanding limitation in dominant approaches to reasoning training, which incentivize LRMs to produce and confirm reasoning towards correct answers, but not to robustly evaluate the underlying reasons.
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All authors Mingzhong Sun, Teresa Yeo, Armando Solar-Lezama, Tan Zhi-Xuan

Machine Learning

Genotype-Conditioned Molecular Generation via Evidence-Grounded Multi-Objective Latent Perturbation in Diffusion Models

Developing effective anticancer therapeutics remains challenging due to tumor heterogeneity and the absence of well-defined molecular targets across cancer subtypes. Generative models conditioned on cancer genotypes offer a promising avenue for personalized drug discovery, yet existing approaches lack explicit optimization for simultaneous sensitivity, synthesizability, and mechanistic binding plausibility. We present a latent-space optimization approach for a pretrained genotype-to-drug diffusion model, introducing a learnable perturbation over the molecular latent space optimized via gradient ascent to maximize a composite reward combining predicted drug sensitivity (AUC), drug-likeness (QED), and synthetic accessibility (SAS). Critically, biological realism is enforced by grounding both reward design and evaluation in experimentally-derived cancer cell line data and validated pharmacologic signals, anchoring candidate generation in real-world clinical evidence. Mechanistic consistency plausibility is further assessed by a multi-agent LLM pipeline grounded in the diffusion model's attention mechanism. Experiments across 15 cancer cell lines from three held-out evaluation sets demonstrate consistent and noticeable improvements over competing baselines in sensitivity, drug-likeness, synthesizability, and chemical validity.
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All authors Brenda Nogueira, Gisela A. Gonzalez-Montiel, Nitesh V. Chawla, Nuno Moniz

Machine Learning · Cross-listed from cs.AI

Transferring Information Across Interventions in Causal Bayesian Optimization

Bayesian optimization is a popular way to optimize expensive systems, where every experiment, simulation, or intervention costs time or money. In its standard form, it treats the variables we control as plain inputs to a black box and cannot tell apart mere correlation from a real cause and effect. Causal Bayesian optimization closes part of this gap by using a known causal graph together with observational data to decide which variables are worth intervening on. Existing methods, however, learn the effect of each possible intervention almost in isolation, even though in a causal system these effects usually share the same underlying mechanisms. We propose graph-coupled causal Bayesian optimization, which ties the different intervention effects together through the uncertainty we have about a small set of shared causal parameters. The result is a causal kernel that lets evidence collected from one intervention improve our estimate of related interventions. For identifiable linear Gaussian causal models, we show that this kernel has low rank, bounded by the number of shared parameters rather than by the size of the intervention menu. This in turn yields an information-gain bound that grows only logarithmically in the optimization horizon, and a regret bound that cleanly separates three sources of error: optimization, causal estimation, and the choice of which intervention sets to consider. We also describe nonlinear and adaptive extensions. Across theory-aligned Gaussian systems, shared-mechanism stress tests, and standard causal optimization benchmarks, the method keeps the benefits of causal Bayesian optimization while transferring information across related interventions, with the clearest gains when direct interventions on the target's parents are unavailable and sparse interventional data must be reused across a large family of candidate interventions.
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Machine Learning

Truthful AI Advisors: A Pre-Specified Benchmark for Large Language Model Honesty Under Preference Misalignment

Large language models are increasingly deployed as advisors whose objective is not aligned with the user's: recommenders optimize for engagement, sales assistants for purchases. Whether they stay truthful when honesty conflicts with their own payoff is a core alignment question. We turn the canonical Crawford-Sobel cheap-talk model into a pre-specified benchmark for LLM honesty under preference misalignment, in which theory supplies an exact oracle. A sender observes a state omega in [0,1], wants the receiver's action near omega+b, and sends one costless message to a receiver whose ideal action is omega. For the positive-bias grid b in {0.01,0.04,0.08,0.12} the exact most-informative partition sizes are 7,4,3,2, with oracle normalized mutual information 0.5294, 0.3268, 0.2205, 0.1829. Extending a pre-registered 4-model run of 12,000 sender calls to eight models across two capability tiers and 39,569 logged calls, all models over-reveal relative to the most-informative equilibrium by 1.8 to 4.5x: pooled normalized mutual information stays at 0.82-0.96 where the oracle prescribes 0.18-0.53. Informativeness declines with bias as predicted (beta = -1.71, t = -7.50) but never approaches the strategic optimum; rather than coarse partitions, models show near-full revelation with a constant upward offset tracking their bias (linear exaggeration). A structural hint separates capability from propensity: told the equilibrium partition size, reasoning models state a correct Crawford-Sobel cell in 0.20-0.99 of messages while the non-reasoning tier never exceeds 0.005. The capability is present but goes unexercised unless asked for, locating the failure in propensity rather than competence. A decoder ablation shows the finding is recoverable only when the receiver reads the sender's stated number: an embedding-only decoder mis-reads the same data as near-babbling.
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All authors Hamidreza Hasani Balyani, Seyed Pouyan Mousavi Davoudi, Alireza Amiri-Margavi, Amin Gholami Davodi, Arshia Gharagozlou

Machine Learning · Cross-listed from eess.SP

Spatially Distributed Task-Oriented Compression for Multi-Emitter Localization and Characterization with Spectral Overlap

Radio frequency spectrum awareness requires the ability to detect, localize, and characterize emitters in dense and contested wireless environments. In this work, we propose a task-oriented distributed compression framework for joint multi-emitter localization and characterization using spatially distributed receivers. Each receiver observes a short window of complex IQ samples, converts the observation to a time–frequency representation, and encodes it into a compact latent vector. A central fusion decoder combines the receiver latents to estimate an unordered set of active emitters, including their locations, center-frequency offsets, occupied bandwidths, and waveform families. A permutation-invariant training objective is used to handle the arbitrary ordering of emitters and predictions. Experiments on synthetic multi-emitter scenes with spectral overlap show that even extremely compact receiver-side representations can preserve useful information for emitter counting and waveform-family estimation. However, accurate localization and spectral-parameter regression require larger latent dimensions. Increasing the receiver latent dimension from $d_{\mathrm{rx}}=1$ to $d_{\mathrm{rx}}=16$ provides the largest improvement, while further increasing to $d_{\mathrm{rx}}=64$ gives smaller gains. These results demonstrate the potential of learned task-oriented compression for communication-efficient distributed spectrum awareness.
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Machine Learning · Cross-listed from cs.AI

Self-Revising Discovery Systems for Science: A Categorical Framework for Agentic Artificial Intelligence

Scientific discovery is not only answer generation but revision of the representational regime in which evidence, artifacts, operations, and verifiers are typed. We develop a category-theoretic account of agentic discovery for materials science. In a fixed regime b with schema category S_b, the system state is a copresheaf I_t: S_b -> Set, and provenance is the category of elements \int_{S_b} I_t. Fixed-regime operation is an update on such states, endofunctorial only when provenance-preserving refinements are specified and preserved. Discovery is instead a verified regime transition u: S_b -> S_b': old artifacts are preserved, transported by the left Kan extension Lan_u I_t, and compared with the post-transition state to identify residual content beyond functorial transport. This separates retrieval, search, and discovery without subjective novelty. We instantiate the framework in two systems. In Builder/Breaker, a protein-mechanics world model is revised under a Minimum Description Length gate; the accepted law expresses within-chain flexibility as all-mode elastic compliance conditioned by slow collective-mode participation, or mode-conditioned compliance. In CategoryScienceClaw, typed skills, artifacts, open needs, workflow mutation, gates, stress tests, and public discourse become a proof-carrying knowledge-computation graph. A fiber-network example records candidate models, rejected alternatives, an AIC gate, perturbation tests, and an accepted orientation-tensor anisotropic stiffness surrogate over an isotropic fiber-count descriptor. Together, the cases show how category theory can be both a mathematical language for discovery and an engineering specification for self-revising AI discovery systems.
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Machine Learning

UR-JEPA: Uniform Rectifiability as a Regularizer for Joint-Embedding Predictive Architectures

A central difficulty in training Joint-Embedding Predictive Architectures (JEPAs) is preventing representation collapse. LeJEPA addresses this by enforcing an isotropic Gaussian target on the embeddings via Sketched Isotropic Gaussian Regularization (SIGReg). This target is in tension with the manifold hypothesis, which expects embeddings to concentrate on a low-dimensional subset of the ambient space. We propose UR-JEPA, which targets a uniformly $n$-rectifiable measure of local tangent dimension $n$ at small scales, realized through a Gaussian-kernel smoothed Carleson-type square function $\mathcal{L}^{\text{CGLT}}$, with a complementary Jones $\beta$-number formulation. On Inet10, UR-JEPA($\mathcal{L}^{\text{CGLT}}$) attains $0.9141 \pm 0.0014$ for a $+0.83$\,pp gain over LeJEPA($\mathcal{L}^{\text{SIGReg}}$) with $\sim 30\%$ lower seed standard deviation; on matched-recipe Galaxy10~SDSS, a single-seed ImageNet-$100$ run, and a $3$-seed EuroSAT remote-sensing run, the two methods lie in the same peak-accuracy band at convergence, with UR-JEPA retaining its lower-seed-variance signature. On EuroSAT the in-domain pair is competitive at $96.0$ to $96.1\%$ with large remote-sensing foundation-model transfer at a $25\times$ smaller backbone. The distinction is geometric: direct visualization of the projector output distribution shows that on all four datasets UR–JEPA($\mathcal{L}^{\text{CGLT}}$) produces a global PCA spectrum with a $4$ to $5$ order-of-magnitude drop at index $\sim 20$ to $25$ out of $D = 32$, while LeJEPA's spectrum is near-flat (top-to-bottom ratio at most $3.6$). Per-dimension marginals are simultaneously near-Gaussian for both methods (mean Shapiro-Wilk $W \in [0.992, 0.996]$) as a Diaconis-Freedman consequence. At matched accuracy the two regularizers therefore yield structurally distinct projected representations.
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Machine Learning

CEAR: Certified Ensemble Adversarial Robustness in DNNs

Deep Neural Networks (DNNs) are highly susceptible to adversarial perturbations, leading to extensive research on robustness for safety-critical applications. State-of-the-art empirical defense mechanisms improve the robustness of DNNs through the training phase, but still struggle against adaptive white-box attacks. On the other hand, certified defenses offer provable guarantees of robustness within a specified perturbation bound. These guarantees hold regardless of the level of perturbations, even if the attacker is given full knowledge of the model. In this paper, we propose CEAR, an ensemble-based robust method that utilizes a hybrid of empirical and certified defense mechanisms. CEAR trains each network within the ensemble using varying Gaussian noise and temperatures to obfuscate gradients and logits, making the model more resistant to stronger gradient-based attacks. We then use noisy logits and propose two different voting mechanisms to further improve robustness. Furthermore, we extend randomized smoothing to verify the robustness of ensemble-based classifiers. Our experimental evaluations on MNIST, CIFAR10, and TinyImageNet datasets demonstrate superior certified accuracy on average, increased robustness radius, and decreased transferability compared to baseline methods.
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All authors Daniel Sadig, Mohammadreza Maleki, Hamed Karimi, Reza Samavi

Machine Learning

Leaf Spectral Reflectance Prediction Using Multi-Head Attention Neural Networks

Accurate modeling of leaf spectral reflectance from physiological and biochemical traits is essential for advancing remote sensing applications in plant science and precision agriculture. Widely used radiative transfer models, such as PROSPECT-PRO, rely on generalized trait-reflectance relationships developed from a wide range of species, which may not fully capture the spectral behavior of specific crops like grapevines. In this study, we developed a trait-to-spectra prediction model using a multi-head attention neural network trained on a grapevine-specific dataset that includes 16 leaf traits measured across multiple varieties, growth stages, and years. The model was evaluated using stratified 5-fold cross-validation and achieved an average coefficient of determination (R^2) of 0.84 and normalized root mean squared error (NRMSE) of 1.52 percent, demonstrating high accuracy and generalizability. When compared to PROSPECT-PRO in forward mode, the neural network exhibited lower mean absolute error (MAE), especially in the near-infrared (NIR) and shortwave-infrared (SWIR) regions. These results emphasize the importance of species-specific modeling approaches and show that integrating biochemical and structural traits into data-driven architectures can significantly improve spectral prediction. The proposed model provides a robust framework for generating accurate leaf-level reflectance data, with potential applications in canopy trait retrieval, vineyard monitoring, and remote sensing-driven crop management.
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All authors Parastoo Farajpoor, Alireza Pourreza, Mohammadreza Narimani, Ashraf El-Kereamy, Matthew W. Fidelibus

Machine Learning · Cross-listed from stat.ML

On the Uncertainty Quantification Ability of Tabular Foundation Models

Foundation models (FMs) have achieved substantial success in generalizing across tasks without problemspecific training or fine-tuning. However, many critical applications in mechanics and computational science require not only accurate predictions but also reliable uncertainty quantification (UQ). Herein we investigate the UQ capabilities of tabular FMs in regression tasks through a comprehensive empirical study comparing Tabular Prior-Data Fitted Networks (TabPFN) against Gaussian processes (GPs). We systematically evaluate these two methods across a host of regression problems with varying complexity, dataset sizes, and input dimensionalities. We use a default setting to build all the GPs and for a fair comparison against TabPFN v2.5. Our findings highlight an important trade-off between explicit and learned priors: while TabPFN achieves highly competitive performance for complex, high-dimensional problems with sufficient data, GPs often provide superior predictive accuracy and UQ in data-scarce settings. Moreover, when the chosen kernel constitutes a good prior for the underlying function, GP performance can substantially exceed that of TabPFN. Our results can be reproduced from https://github.com/kianswarehouse/GPvsPFN.
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All authors Tyler R. Johnson, Kian Ben-Jacob, Nima Negarandeh, Oriol Vendrell-Gallart, Ramin Bostanabad

Machine Learning

Learning-based Directed Graph Abstraction of Combinatorial Spaces for Order-Preserving Search in Mixed-Combinatorial Nonlinear Optimization

Mixed-combinatorial nonlinear programming (MCNLP) problems arise in many engineering design and planning applications, e.g., due to categorical, component, and geometric design choices, as well as joint task and motion planning. Traditional representations of combinatorial spaces, such as integer or binary encoding, often introduce spurious relations, increase dimensionality, and require additional compatibility constraints. Instead, this paper draws on recent developments in robot planning and vehicle/network routing domains that aim to learn search heuristics over combinatorial spaces using graph neural networks (GNNs). More specifically, this paper presents a first-of-its-kind structured abstraction of the combinatorial space by learning a mapping from an undirected fully connected graph of combinations to a directed graph indicating improvement directions using an Edge Field Graph Network (EFGN). To demonstrate the utility of this new way of abstracting the combinatorial space in solving MCNLPs, we adopt a recent optimization framework that purely searches over the non-combinatorial (e.g., continuous) variables and retrieves the best-suited combination for each candidate design by using the abstraction model, akin to a recommender system. The presented direction-aware abstraction model provides a potentially more scalable and interpretable retrieval of combinations compared to the original recommendation system in that framework. For evaluation, the proposed method is integrated with a well-known particle swarm optimization and genetic algorithm solvers on three benchmark nonlinear problems with varying numbers of combinations and variables. Compared to baseline solvers using indexified combinations, the GNN-based recommender consistently achieves better mean optimum values and robustness across multiple runs.
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Machine Learning

Target localization, identification and sensing using latent symmetries

We show that an array of scatterers which has been designed to have latent ("hidden") symmetries can be used as a sensor. We use the capacitance matrix as a canonical model for three-dimensional hybridisation and study how the introduction of an "intruder” scatterer breaks the latent symmetries. By analysing the degree to which each symmetry is broken, we identify the radius of the intruder and localize its position. This can be achieved using a dictionary-based approach, however Bayesian inference or an artificial neural network (multi-layer perceptron) perform better in the presence of measurement noise. To our knowledge, this is the first time latent symmetries have been exploited successfully for sensing problems. It is also the first time latent symmetries have been observed in a three-dimensional open system that cannot be approximated by a sparse graph.
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Machine Learning · Cross-listed from cs.CR

Differentially Private Datastore Generation for Retrieval-Augmented Inference

It is crucial for modern on-device AI systems that rely on retrieval-augmented inference to release and share datastores without compromising individual privacy. This can be achieved using Differential Privacy (DP), which provides a formal guarantee that ensures individual contributions remain indistinguishable, even under adversarial analysis. In this paper, we introduce a hashing-based probability generation framework designed to enable the creation and release of differentially private datastores. Our approach employs locality-sensitive hashing (LSH) to efficiently partition high-dimensional data into buckets. We then add calibrated DP noise to the accumulated vote for each bucket, generating a probability distribution across classes. Our method is broadly applicable to any pipeline requiring secure key,value datastore creation and release. We conducted experiments on seven datasets with varying sample sizes and class counts, ranging from 2 to 14. At epsilon=5, our released DP datastore achieves strong privacy protection with only an average 2.6% drop in accuracy. Finally, we benchmark DP datastore resilience to membership inference attacks, reducing attack accuracy to 53.60%.
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Machine Learning

GPTQ-intrinsic LoRA: A Near-optimal Algorithm for Low-precision Quantization with Low-rank Adaptation

Post-training quantization is widely used for compressing large neural networks, but aggressive low-bit quantization can significantly degrade model quality. A common remedy is to augment the quantized weights with a low-rank correction, leading to approximations of the form $W\approx Q+LR$. In this paper, we study this low-precision plus low-rank representation through the layer-wise reconstruction objective $\|XW-X(Q+LR)\|_F^2$, where $X$ is a calibration matrix. We establish, to our knowledge, the first information-theoretic lower bounds for this problem under finite-alphabet and bounded low-rank compensation constraints. We then propose GPTQ-intrinsic LoRA, a training-free algorithm that incorporates the low-rank correction directly into a GPTQ-style quantization pass by appropriately augmenting the calibration Hessian. For the choice $L=V_r$, where $V_r$ contains the top right singular vectors of $X$, we prove layer-wise reconstruction error bounds in which the usual GPTQ dependence on $\|X\|_F^2$ is replaced by the rank-$r$ residual $\|X-X_r\|_F^2$, up to regularization terms. Under natural structural assumptions, these bounds match the information-theoretic lower bounds in their dominant scaling, up to constants and mild factors. We also introduce Bid-Up, a fixed-grid quantization refinement step that can be alternated with optimal low-rank compensation with guaranteed non-increasing layer-wise reconstruction error. Experiments on Qwen3 language models and DeiT vision transformers show that GPTQ-intrinsic LoRA improves over GPTQ and GPTQ followed by low-rank compensation, with additional gains from refinement loops.
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Machine Learning

Neural Network Compression by Approximate Differential Equivalence

Neural network compression is commonly achieved by pruning parameters based on local importance scores, e.g., magnitude-based pruning. We propose a complementary approach that compresses models by aggregating neurons with similar functional behavior rather than removing weights independently. Our method encodes a trained network as a polynomial ODE system and applies a lumping method called Approximate Forward Differential Equivalence to identify neurons with approximately matching induced dynamics. A single tolerance parameter, $\varepsilon$, controls the compression level and induces a smooth trade-off between model size and predictive accuracy. We evaluate the method on synthetic datasets derived from nonlinear dynamical systems with known ground-truth behavior and on public regression benchmarks. Across both settings, the proposed approach achieves substantial parameter reduction while preserving accuracy, and consistently compares favorably with magnitude-based pruning and Wanda at similar compression levels. These results suggest that differential equivalence-based aggregation is a principled and effective alternative to conventional weight-centric pruning.
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All authors Ravi Dhiman, Andrea Passarella, Mirco Tribastone, Lorenzo Valerio

Machine Learning · Cross-listed from cs.RO

Autopilot-Preserving Residual Q-Learning with HJB-Inspired Finite-Action Risk Filtering for Fixed-Wing UAV Command Supervision

A fixed-wing UAV must hold airspeed, altitude, and heading references under wind, gusts, and turbulence, channels coupled so that correcting one can degrade another. Classical autopilots stabilize the airframe well but adapt poorly when a hard crosswind meets an aggressive turn, while reinforcement-learning (RL) policies acting directly on the surfaces concentrate exploration risk at the actuator interface. We place a learned supervisor above an unchanged autopilot rather than inside it: it selects a residual from a finite, bounded action set on the commanded airspeed, altitude, and heading; the modified reference is projected into an admissible command envelope before reaching the autopilot, which stays the only actuator-facing controller. What is new is how the residual is chosen. HJB residual scores candidates with a semi-discrete value-iteration critic in the spirit of the Hamilton-Jacobi-Bellman (HJB) equation, ranks them by a no-op-relative Hamiltonian advantage, and filters them through a control-Lyapunov- and control-barrier-inspired finite-action shield that always keeps a no-op fallback. On a shared 12-state runtime holding the plant, autopilot, and actuator model fixed, so the comparison is at the package level, HJB residual lowers mean RMS path-tracking error to 44.809 m, against 338.617 m for the baseline autopilot and 88.809 m for a tabular-Q residual, an 86.77% reduction over the baseline and 49.54% over Q-learning. The gain concentrates where the baseline fails worst and comes with a measured rise in airspeed error, so no method dominates every metric. We present this autopilot-preserving residual command-supervision design and benchmark with its trade-offs reported intact.
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Machine Learning · Cross-listed from cs.AI

GuidaPA: Privacy-Preserving Chatbot for Public Administration via Federated Learning

We present GuidaPA, a privacy-preserving chatbot for the Italian Public Administration (PA) trained via Federated Learning (FL) on documentation from two national PA platforms, SIGESON and SIDFORS. Our corpus includes approximately 8 pages of SIGESON manuals and 31 pages of SIDFORS manuals/FAQs; while this study uses public documentation as a safe proxy, the intended deployment extends to restricted internal sources (e.g., tickets, officer manuals, database extracts) that can not be centrally pooled due to regulatory and organizational constraints. GuidaPA integrates role-based access control, secure client-side preprocessing, explicit monitoring of non-IID effects, and parameter-efficient federated fine-tuning of large language models. Using QLoRA (4-bit) over 15 federated rounds with an 80/20 train-test split per client, we evaluate answer quality with ROUGE, BLEU-4, and METEOR. The best federated model achieves ROUGE-1/2/L of 61.10/55.77/59.44, BLEU-4 of 45.02, and METEOR of 63.94-close to private centralized fine-tuning while keeping data on-site. Compared to the general-purpose baseline, domain fine-tuning improves ROUGE-1 from 41.45 to 62.18 and BLEU-4 from 26.97 to 50.90. Overall, the results indicate that FL can deliver high-quality conversational AI for public services without centralized data sharing
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All authors Daniel M. Jimenez-Gutierrez, Albenzio Cirillo, Raffaele Nicolussi, Alessio Beltrame, Andrea Vitaletti

Machine Learning

Efficient Exploration for Iterative Nash Preference Optimization

Preference alignment is central to improving large language models (LLMs), but reward-based formulations can be restrictive when human preferences are non-transitive. Nash learning from human feedback (NLHF) addresses this limitation by modeling alignment as a preference game and seeking a Nash equilibrium. However, the learning-theoretic foundations of scalable NLHF remain limited: existing regret guarantees rely on explicit preference-model estimation and minimax oracles, whereas simpler iterative methods lack such guarantees. We study online iterative NLHF and identify exploration as a key obstacle. First, we show that standard iterative NLHF can incur an exponential dependence on the inverse KL-regularization parameter, demonstrating that implicit exploration through policy updates can be insufficient. We then propose Exploratory Nash Preference Optimization (ENPO), which combines a SFT-type regularization with adversarial policy exploration. ENPO eliminates this exponential dependence without requiring minimax oracles or explicit preference-model estimation. We further introduce Bonus-Explorer ENPO (BENPO), which uses additional oracles to achieve an $O(\log T)$ regret bound. Finally, we develop Direct ENPO (DENPO), a practical variant of ENPO for fine-tuning LLMs. Experiments with Llama-3-8B-Instruct demonstrate consistent improvements over the evaluated RLHF and NLHF baselines across multiple benchmarks.
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All authors Tianlong Nan, Xiaopeng Li, Christian Kroer, Tianyi Lin

Machine Learning

Turning Back Without Forgetting: Selective Backward Refinement for Parameter-Efficient Continual Learning

While prompt-based parameter-efficient continual learning mitigates catastrophic forgetting by isolating task-specific prompts, this isolation also limits later tasks from improving earlier ones, leaving backward knowledge transfer underexplored. We address this limitation by proposing Selective bAckward refinement for positive Backward knowledge transfER (SABER), a replay-free framework that enables controlled backward transfer in prompt-based continual learning. SABER determines when backward refinement is beneficial using complementary task-correlation criteria based on prompt-gradient geometry and loss-distribution similarity, and how to perform refinement safely by restricting updates to non-interfering directions in the prompt parameter space. Extensive experiments across multiple continual learning benchmarks and diverse pretrained backbones, including T5-Large, LLaMA, and Qwen, demonstrate that SABER consistently achieves positive backward transfer while maintaining strong overall average performance. Code is available at https://github.com/OptMN-Lab/SABER-ICML-2026/.
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Machine Learning

From Performance to Representational Adequacy: A Representational Bootstrap Framework for Adaptive Biological Systems

Observable performance is commonly used to characterize biological systems, yet aggregated outputs may remain insufficient for uniquely resolving observational conditions, and richer multivariate representations may retain substantial ambiguity. This article proposes a representational bootstrap framework for adaptive biological systems. Bootstrap is used in a methodological and epistemological sense, not as statistical resampling. New analytical levels emerge when the active representation becomes insufficient for the question under investigation. The framework comprises five successive levels: observable performance, conceptual dynamic organization, exploratory multivariate representation, observed longitudinal centroid displacement, and internal approximation of observed displacement. Three previously reported gait-occlusion studies are used as a methodological case sequence rather than as new experimental evidence. The revised first study showed persistent static representational non-identifiability: neither the scalar score nor the exploratory embedding uniquely resolved the occlusal probes. The second study shifted the question toward M1-M2 centroid displacement in a common PCA representation. The third examined whether that observed representation-dependent transformation could be internally approximated by a simplified supervised model. The contribution is not a new algorithm, clinical protocol, or dataset. It is the formalization of a bootstrap methodology in which persistent explanatory insufficiency motivates reformulation of the scientific question and the emergence of progressively more adequate representations.
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All authors Jacques Raynal, Pierre Slangen, Elsa Raynal, Jacques Margerit

Machine Learning

BRo-JEPA: Learning Modular Transformations in Latent Space

Can neural networks learn algebraic rules from visual inputs, or do they merely fit observed patterns? We study this question using MNIST (or EMNIST letters) as states and modular arithmetic operations as actions in a JEPA-style world model. Standard supervised and JEPA baselines with operation embeddings achieve high accuracy on seen operations but fail to extrapolate reliably to unseen operations. We propose BRo-JEPA, a world model with a block-rotation predictor that represents arithmetic operations as rotations, resulting in the cyclic structure of modular arithmetic in latent space. By applying actions as rotations, the BRo-JEPA predictor learns the rotation angles to align the latent representations with the underlying modular structure which enables strict zero-shot operation generalization. While our best block-rotation supervised baseline reaches only 54.54% zero-shot accuracy on MNIST and 25.13% on EMNIST, BRo-JEPA with a ResNet-18 encoder achieves 99.44% and 94.35% respectively, despite being trained only on the primitive operations $\pm$1. Our results suggest that world models can learn algebraic rules when the latent transformations encode the underlying modular structure. Code is available \href{https://github.com/DL-World-Models/brojepa}{here}.
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All authors Divyansh Jha, Yuanfang Xie, Brennen Yu, Varan Mehra

Machine Learning

All Models are Wrong, Knowing Where is Useful: On Model Uncertainty in Reinforcement Learning

Model-based reinforcement learning (MBRL) infers information about the environment from a learned dynamics model and bears the potential to address open problems such as data efficient and safe learning in robotics. However, inaccuracies of the learned dynamics model are typically exploited by the agent, substantially hampering the capabilities of MBRL methods. We present a framework for dealing with inaccuracies of probabilistic models through targeted handling of uncertainty that effectively mitigates model exploitation. We present recent successes in learning directly on hardware and safe exploration, and discuss future directions for uncertainty-aware MBRL.
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All authors Bernd Frauenknecht, Devdutt Subhasish, Artur Eisele, Friedrich Solowjow, Sebastian Trimpe

Machine Learning · Cross-listed from cs.DS

Towards Optimal Robustness in Learning-Augmented Paging

Learning-augmented paging has been extensively studied in recent years. A key advantage over naive ML-based approaches is bounded robustness, which guarantees worst-case performance even when predictions are inaccurate, making these algorithms valuable for real-world systems. Prior work achieves robustness bounds of $2H_k + O(1)$ in the randomized setting, leaving a gap to the optimal competitive ratio $H_k$. In this paper, we study how to close this gap. We begin by reviewing online optimality and proving a new property of the latest $H_k$-competitive algorithm, which facilitates our analysis in the learning-augmented setting. Then, we review existing learning-augmented paging algorithms and introduce a unifying primitive, the relative prediction budget, which captures the essence of establishing robustness and reveals that prior algorithms either overuse or underutilize predictions. Guided by the above analysis, we develop a new framework that achieves the best-possible robustness up to an additive constant for learning-augmented paging: $H_k + O(1)$. Experiments further demonstrate strong practical performance.
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All authors Peng Chen, Hailiang Zhao, Xueyan Tang, Yixuan Wang, Shuiguang Deng

Machine Learning

Sample Complexity and Decision-Theoretic Guarantees for Bayesian Model Averaging over Decision Trees with Catalan-Exponential Priors

We ask: when do Bayesian model averaging (BMA) weights over decision trees carry sufficient epistemic information to justify committed exploitation of the averaging distribution? We answer this question in closed form for Bayesian decision trees (BDTs) with Dirichlet-Multinomial leaf models and a Catalan-exponential tree-size prior (Schetinin&Jakaite, 2025), establishing a complete non-asymptotic theory of rational commitment thresholds.
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Machine Learning

FreqLite: A Lightweight Frequency-Decomposed Linear Model with Adaptive Reversible Normalization for Robust Long-Term Time-Series Forecasting

Long-term time-series forecasting needs models that are accurate yet efficient enough for commodity hardware. Lightweight linear forecasters are remarkably strong in this regime, yet they leave two openings: reversible instance normalization (RevIN) de-normalizes the entire horizon with a single lookback statistic, which is inaccurate under non-stationarity, and time-domain trend/seasonal decomposition relies on a fixed, non-adaptive filter. We present FreqLite, an ultra-lightweight, channel-independent frequency-decomposed linear forecaster: a learnable, lossless, partition-of-unity spectral filter splits the input into bands that are forecast by per-band linear heads and, unlike low-pass-truncation approaches, the high-frequency band is retained and modeled. FreqLite is the best lightweight model on the standard long-term forecasting benchmarks and, at long lookback (L=336), attains a lower average error than a PatchTST Transformer (0.3244 vs. 0.3587 MSE) while using 4x fewer parameters, 2.2x less memory, and 2.2x less time per epoch on a single 4 GB laptop GPU; although modest in magnitude, its improvements are statistically significant under paired Wilcoxon tests across all matched cells (p < 1e-5). We further introduce Adaptive Reversible Instance Normalization (A-RevIN), a regime-adaptive reversible normalization that strictly generalizes RevIN (recovered exactly when its gate is closed), engages under non-stationarity, and reduces to RevIN without harm on stationary data. We validate this on both a real strongly non-stationary dataset (ILI, up to ~5% MSE reduction) and a controlled synthetic drift sweep in which A-RevIN's benefit and its learned gate both rise monotonically with injected non-stationarity. Every component is independently ablatable (Linear and RLinear are special cases of FreqLite), and all results are reproducible on commodity hardware.
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Machine Learning

Conditioned free-energy density of proteins using unbalanced solutions to constraint satisfaction problems

We show that computing the log-partition function (free-energy) of conditioned inhomogeneous Curie–Weiss spin Hamiltonians reduces to an unbalanced $2 \to 1$ norm computation, and design a polynomial-time SDP algorithm for this problem with a lower bound proof for the amount of unbalance achieved. Applied to the protein Ubiquitin, the framework starts from a known crystal structure, explores alternative backbone conformations across the free-energy landscape, and identifies flexible regions of the protein while preserving its native secondary structure.
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Machine Learning · Cross-listed from cs.NI

SEArch: Optimistic Policy Selection Between Scene Noise and Drift for UAV Radar Search

Unmanned Aerial Vehicles (UAVs) equipped with radar sensors are deployed for target search missions in diverse environments, where targets exhibit characteristic signatures (e.g., respiration micro-motion in human search) detectable through occlusions. A fundamental challenge arises from shifts in radar statistics as the UAV moves through a dynamic and potentially non-stationary environment, rendering any fixed signal-processing strategy suboptimal; yet perception and adaptation must run onboard a resource-constrained aerial node in real time. Since no single detector performs well across all conditions, we adopt a multi-policy paradigm and formulate UAV target search as an online policy selection problem over a library of specialized detectors, with performance measured by regret, the cumulative loss gap relative to the best policy in each scene. The setting couples in-scene stochastic noise with inter-scene shifts. Whereas prior methods capture only one regime, we account for both through the Stochastically Extended Adversary (SEA) framework, without requiring oracle knowledge of scene dynamics. Because adaptation must run at the UAV, we instantiate SEA through SEArch, a lightweight optimistic Follow the Regularized Leader (OFTRL) selector with an adaptive learning rate, achieving regret $O(\bar{\sigma}_T \sqrt{T} + \sqrt{J})$, where $\bar{\sigma}_T$ captures radar measurement noise and $J$ is the number of scene transitions over the mission horizon $T$. To enable rapid adaptation under frequent scene changes, we further introduce W-SEArch, a windowed variant that restarts every $w$ rounds and achieves regret $O(\bar{\sigma}_I \sqrt{w})$ under at most one transition per window. Experiments show up to 30% regret reduction compared to non-adaptive baselines across a range of non-stationary settings.
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All authors Noor Khial, Naram Mhaisen, Loay Ismail, Amr Mohamed