Machine Learning
Multi-Agent Conformal Prediction with Personalized Statistical Validity
Martin V. Vejling, Christophe A. N. Biscio, Adrien Mazoyer et al. (+2 more)
Uncertainty quantification is essential in high-stakes machine learning tasks. However, one of the principled solutions, conformal prediction, faces challenges under limited local calibration data,
privacy constraints, and data heterogeneity. In multi-
agent settings, existing works do not simultaneously and satisfactorily address these challenges with guarantees either limited to averages across
agents or losing validity in heterogeneous settings. Hence, we propose personalized
federated weighted conformal prediction (PFWCP), a framework that combines local density ratio weighting with weighted
quantile aggregation to correct for heterogeneity while preserving
privacy. The method yields asymptotically valid marginal and calibration-conditional coverage guarantees for each participating
agent and supports protocols with one-shot communication. Theoretical analysis presents an adjustment to the coverage variance, governed by an effective sample size expression, which is necessary in the context of weighted conformal prediction, and experiments on synthetic and real
datasets show improved calibration quality over state-of-the-art
federated conformal baselines.
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All authors Martin V. Vejling, Christophe A. N. Biscio, Adrien Mazoyer, Petar Popovski, Shashi Raj Pandey
Machine Learning
Graph Transfer Learning via Shared Latent Geometry: Theory and Applications
Tong Wu, Andrew Campbell and Anna Scaglione
Inference and control in engineered physical systems pay a heavy physics cost at deployment: state
estimators, inverse-problem solvers, model-predictive controllers, schedulers, and observers are often not closed-form and must re-solve a numerical optimization per instance, with the operator re-supplied each time. Physics-informed learning moves this cost to training, but uses a single encoder pathway whose latent geometry de-learns under fine-tuning and admits no quantitative transfer guarantee. We propose an asymmetric two-pathway architecture that resolves both issues. A teacher encoder consumes privileged dense states from a high-fidelity simulator and represents the system through operator-
polynomial features stable under spectral perturbation; a student encoder learns the same latent geometry from sparse field data and operator descriptors. At deployment the teacher is discarded, and the frozen student runs in a single forward pass with a transfer certificate. The design connects to privileged-information learning, knowledge
distillation, and cross-modal
distillation, but targets cross-instance transfer rather than fixed-instance prediction:
topology and operator may change, while the latent task does not. We establish sufficient and near-necessary transfer conditions via Wasserstein proximity between latent laws, yielding a zero-shot error bound, and develop a finite-sample certification protocol with active expansion when coverage is incomplete. The framework applies wherever a system admits an operator with reportable spectrum. On power-system estimation, it achieves zero-shot transfer to 100 unseen
topologies, a 95% certificate pass rate, accuracy competitive with
topology-aware Newton–Raphson, and sub-millisecond inference. These results suggest asymmetric pathways plus operator-anchored latent geometry provide a foundation for certified zero-shot inference and control.
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Machine Learning · Cross-listed from cs.AI
MOSAIC: Modular Orchestration for Structured Agentic Intelligence and Composition
Yifan Bao, Xinyu Xi, Xinyu Liu et al. (+8 more)
Automated data science is a structured model-selection problem. A solution must choose data transformations, feature representations, architecture, training procedure, evaluation protocol, and refinement strategy for a task. AutoML systems automate parts of this process, but typically search within predefined pipeline, model, and hyperparameter spaces. LLM-based
agents offer greater flexibility through
retrieval, code generation, and execution feedback, yet their modelling decisions are often unstructured, difficult to verify, and hard to reuse. We introduce MOSAIC (Modular Orchestration for Structured Agentic Intelligence and Composition), a structured agentic framework for
memory-grounded model selection and workflow construction. Given a task and
dataset, MOSAIC builds a semantic task profile, retrieves prior cases and source-code modules, and constructs a blueprint: an intermediate representation specifying selected modelling components, composition, interface constraints, and execution requirements. This blueprint turns model selection into a staged, context-grounded search and grounds LLM-based code generation in retrieved evidence rather than unconstrained synthesis. Candidate models are validated by execution and refined using diagnostic feedback, training traces, task metrics, and a failure-aware reinforcement learning policy. We instantiate MOSAIC on financial time-series
forecasting and generation, where models must satisfy predictive accuracy, distributional fidelity, execution reliability, and downstream financial criteria such as risk and tail behaviour. Experiments against AutoML and agentic baselines show that MOSAIC improves task performance, execution success, and decision traceability, demonstrating the value of treating automated data science as structured, reusable, and execution-grounded model selection.
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All authors Yifan Bao, Xinyu Xi, Xinyu Liu, Wen Ge, Lei Jiang, Kevin Zhang, Raad Khraishi, Yihao Ang, Anthony K.H. Tung, Lukasz Szpruch, Hao Ni
Machine Learning · Cross-listed from cs.IT
Information-Theoretic Lower Bounds for Bit-Constrained Stochastic Optimization via a Reduction to Compressed Gaussian Mean Estimation
Munsik Kim
Low-precision pretraining (FP8, MXFP4, NVFP4) is now standard for frontier
language models, yet the literature is almost entirely achievability –
algorithms and empirical scaling laws – with no matching characterization of what is information-theoretically possible. We study a B-bit quantized
stochastic first-order oracle: an optimizer interacts for T rounds and receives, each round, a B-bit adaptive public-coin description of its
stochastic gradient. Our main contribution is an exact reduction from optimizing a strongly convex quadratic family to interactively compressed Gaussian mean estimation – under the B-bit oracle the query carries no information, so optimization collapses exactly onto a sequential distributed-estimation problem. This yields two unconditional lower bounds, a communication bound TB = Omega(d) and a statistical bound T = Omega(sigma^2 d / eps^2), and the sharp product-form bound T = Omega((sigma^2 d / eps^2) max{1, d/B}). The product form is also unconditional: a B-bit transcript carries at most O(TB / sigma^2) of Fisher trace about the mean, so bits rather than dimension limit the recoverable information, and combined with the multivariate van Trees inequality this gives the bound directly, without bounded-likelihood-ratio truncation. We give a near-matching achievability result with exact per-round bit accounting under a bounded-dynamic-range oracle, tight up to a logarithmic factor; the lower bound is for truly Gaussian (unbounded) gradients, and closing this oracle gap is left open. A sequential rate-distortion perspective extends the reduction to correlated and drifting oracles and corrects an earlier
conjecture: positive noise correlation raises the bound by (1+rho)/(1-rho) rather than relaxing it. The bounds give an information-theoretic baseline for any low-bit gradient path, not an optimality claim about deployed FP4 systems.
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Machine Learning
COPF: An Online Framework for Deployment-Stable Counterfactual Fairness in Evolving Graphs
Sheng'en Li and Dongmian Zou
Online link recommendation on evolving graphs is performative: by choosing which candidate links to show users, the system changes which links form and what feedback it later observes. Consequently,
fairness estimates from logged outcomes can be misleading and may drift after deployment when the recommendation policy is updated. We introduce COPF (Counterfactual Online Performative
Fairness), a decision-layer framework for deployment-stable
fairness monitoring and control in online link recommendation. COPF (i) defines group-level opportunity gaps over exposure (shown vs. not shown) counterfactuals, (ii) makes them estimable by explicit exploration and by logging the probability (propensity) that each candidate is shown, and (iii) audits and controls
fairness using residual outcome indistinguishability (OI) over a configurable auditor family with graph-aware doubly robust (GA-DR)
estimators. We provide a noisy transfer
theorem showing that Residual-OI on estimated GA-DR residuals implies bounds on exposure-counterfactual group gaps under temporal mixing and bounded local interference, and we instantiate an online multicalibration auditor together with a primal-dual controller. Experiments on two TGB streams and a controlled synthetic bipartite stream show that COPF reduces worst-case spikes in exposure-counterfactual group disparities with modest impact on ranking utility. Our code is available at https://github.com/lsnnnnnnnn/COPF.
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Machine Learning
DistMatch: Adaptive Binning via Distribution Matching for Robust Sequential Conformal Prediction
Enver Menadjiev, Jihyeon Seong, Jisu Yeo et al. (+1 more)
Sequential conformal prediction (CP) provides valid uncertainty quantification under the assumption of residual exchangeability. However, this assumption is often violated in real-world time series due to temporal dependencies and distributional shifts. While recent methods attempt to approximate exchangeability through reweighting, identifying optimal weights remains an open challenge. To address this limitation, we propose DistMatch, a binning-based method that recursively partitions residuals within a binary tree using the Kolmogorov-Smirnov (KS) statistic. We theoretically show that this partitioning induces approximately exchangeable leaves, thereby avoiding the need for reweighting. By applying
quantile regression with online updates within each leaf, DistMatch enables locally adaptive inference and improves robustness to distributional shifts. Extensive experiments demonstrate that DistMatch outperforms existing sequential CP methods.
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All authors Enver Menadjiev, Jihyeon Seong, Jisu Yeo, Jaesik Choi
Machine Learning
Dialectics of Alignment: Harnessing Unsafe Knowledge for Dynamic Safety Routing
Maryam Hashemzadeh, Jerry Huang, Minseon Kim et al. (+2 more)
The prevailing paradigm in large
language model (LLM)
alignment operates via erasure, filtering unsafe data or training models to strictly refuse harmful
prompts. While effective at reducing immediate toxicity, this approach fundamentally constricts the model's epistemological scope, resulting in over-cautious systems that output uninformative blanket refusals to sensitive yet benign queries. In this work, we challenge the orthodoxy that unsafe data must be discarded. We propose a dialectical approach to
alignment, positing that unsafe data encodes rich, domain-specific knowledge critical for nuanced, safe, and informative generation. To operationalize this, we introduce SafeMoE, a Mixture-of-Experts (MoE) framework that isolates unsafe knowledge into domain-specific Low-Rank Adapters (LoRA experts) trained exclusively on harmful corpora. To synthesize safety from these unsafe primitives, we train a lightweight gating network using a minimal, highly curated set of safe-informative responses (as few as 100 samples per domain). During inference, this router dynamically orchestrates the unsafe experts, effectively steering the generation trajectory toward safe outcomes while harnessing the experts' deep domain knowledge. Extensive empirical evaluations across stringent safety
benchmarks demonstrate that SafeMoE is not only safer, achieving over a 20% relative improvement in safe response rate over the strongest baseline (RealSafe-R1 on PKU-SafeRLHF; more than a 15% absolute gain), but also produces more informative responses when safety and harmfulness are of paramount concern. Furthermore, the routing mechanism exhibits strong zero-shot generalization to unseen domains and broader safety tasks without domain-specific supervision. Our findings suggest a paradigm shift in
alignment: true safety requires not the masking of unsafe knowledge, but its controlled integration.
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All authors Maryam Hashemzadeh, Jerry Huang, Minseon Kim, Marc-Alexandre Côté, Sarath Chandar
Machine Learning
Prior-Guided Multi-Omic Transformers for Single-Cell Gene Regulatory Network Inference
Tianyang Xu, Tianci Liu, Niraj Rayamajhi et al. (+4 more)
Gene regulatory networks (GRNs) capture transcription factor-target interactions and are central to understanding
cell-state regulation and disease. Reconstructing GRNs from paired single-
cell transcriptomic and chromatin accessibility data is promising but challenging: scATAC is extremely sparse, and most methods rely on fixed peak-to-gene links and weak supervision. We present EpiAwareNet, a prior-guided multi-omic
Transformer framework that reconstructs GRNs from paired single-
cell data using only lightweight biological priors. In Stage 1, EpiAwareNet learns joint gene-peak representations with a gene-peak cross-
attention module, enabling data-driven, gene-specific aggregation of accessibility signals rather than hard-coded peak-to-gene assignments. In Stage 2, EpiAwareNet incorporates a bulk-derived GRN prior as noisy positive edges to provide weak supervision under label scarcity, refining regulatory scores while remaining robust to prior noise. In our experiments, EpiAwareNet improves GRN reconstruction over representative single- and multi-omic baselines and yields GRNs with greater biological plausibility, such as improved recovery of known regulatory interactions, suggesting that lightweight biological priors from bulk data can effectively guide single-
cell GRN inference when combined with adaptive cross-modal representation learning. Code and data will be available at https://github.com/tianyang-x/EpiAwareNet_pub.
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All authors Tianyang Xu, Tianci Liu, Niraj Rayamajhi, Ryan Patrick, Kranthi Varala, Ying Li, Jing Gao
Machine Learning · Cross-listed from cs.AI
Regularized Offline Policy Optimization with Posterior Hybrid Bayesian Belief
Hongqiang Lin, Pengfei Wang and Nenggan Zheng
Offline reinforcement learning (RL) aims to optimize policies from pre-collected
datasets. A bottleneck of this paradigm is managing epistemic uncertainty, which arises from limited data coverage (sample-level) and the ambiguity in identifying transition dynamics from finite data (model-level). To provide a unified quantification of these uncertainties,
Bayesian RL has been proposed by treating the dynamics model as a random variable and maintaining a corresponding belief. Despite its theoretical appeal, policy optimization in
Bayesian RL remains computationally challenging as it requires solving composite objectives with expectations. Prior methods either employ search-based techniques with poor computational scalability or impose restrictive posterior assumptions that sacrifice the adaptability of
Bayesian RL. To address these limitations, we propose Posterior Hybrid
Bayesian Belief (PhyB), which reformulates the expectation as a convex combination over a subset of dynamics models. Theoretical analysis demonstrates that the objective discrepancy induced by this approximation remains bounded. Based on PhyB, we develop an iterative regularized policy optimization
algorithm that provides metric-agnostic guarantees for monotonic improvement until convergence. Empirical results demonstrate that PhyB achieves state-of-the-art performance on various
benchmarks.
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Machine Learning
Limits of Resolution Equivariance in Fourier Neural Operators
Alex Colagrande, Paul Caillon, Eva Feillet et al. (+1 more)
Fourier Neural Operators are often assumed to generalize across spatial resolutions, enabling training on a coarse grid and deployment on a finer grid. We test this assumption by contrasting two inference-time choices when moving from training resolution $s$ to test resolution $S>s$: running FNO directly at $S$, or running at $s$ and upsampling the prediction to $S$ via
Fourier zero-padding. On Darcy flow, we observe that direct fine-grid inference is not reliably beneficial and can be worse than the low-grid-plus-upsampling baseline. We further analyze layerwise spectra and find that, under
Fourier truncation, intermediate representations increasingly concentrate energy in low frequencies, with high-frequency output produced mainly by late nonlinear/decoder stages. This offers a mechanistic explanation for why FNO can perform well while retaining few modes, yet remain sensitive under resolution shifts. Our findings highlight a simple but strong baseline for cross-resolution evaluation and point to nonlinear aliasing as a key obstacle to zero-shot resolution equivariance.
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All authors Alex Colagrande, Paul Caillon, Eva Feillet, Alexandre Allauzen
Machine Learning
Mapping small reservoirs across Brazil from 1984 to 2025
Kylen Solvik, Luis Gustavo Carvalho and Marcia N. Macedo
Water research in Brazil largely overlooks the widespread damming of small streams for agricultural uses including watering cattle, farm-scale hydropower, irrigation, and aquaculture. These ubiquitous dams and their reservoirs affect water temperature, stream connectivity, aquatic habitats, greenhouse gas emissions, and evaporative water losses. Mapping small reservoirs is challenging because it requires reliably detecting small water bodies and distinguishing artificial reservoirs from natural lakes. As a result, most regional and global
datasets exclude them. To address this gap, we trained a deep learning computer
vision model to accurately segment small (0.1 to 100 ha), stream-fed, surface water reservoirs in Brazil leveraging data from Landsat 5-9. Applying our model from 1984 to 2025, we created annual reservoir maps for the entire country to evaluate how their count, size, and distribution have changed over time. The number of detected reservoirs grew nearly fourfold from 224,059 to 817,458, while their total surface area increased from 3490 $km^2$ to 8455 $km^2$. To our knowledge, this is the first country-wide annual
dataset representing the
evolution of small reservoirs over four decades. The publicly available annual maps highlight the extent and cumulative impacts of small stream impoundments across Brazil, providing actionable insights for managing freshwater ecosystems and water resources.
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Machine Learning
The Paradox of Outcome Optimization: A Causal Information-Theoretic Bound on Reasoning Shortcuts in LLMs
Zihan Chen, Yiming Zhang, Wenxiang Geng et al. (+2 more)
Large
Language Models (LLMs) aligned via outcome-based Reinforcement Learning (RL) frequently exhibit a critical failure mode: they achieve high performance on in-distribution
benchmarks while demonstrating brittle
reasoning capabilities on out-of-distribution (OOD) tasks. We term this phenomenon Reward-Induced
Manifold Collapse. We establish a theoretical framework bridging Structural Causal Models (SCM) and the Information Bottleneck (IB) principle to explain this paradox. We define
reasoning as a high-complexity causal process and shortcut learning as the exploitation of low-complexity spurious correlations. Under the implicit inductive bias of
Stochastic Gradient Descent (SGD), models optimized for outcome rewards are biased toward shortcut solutions whenever the training distribution allows for a “Markovian Screening” of the true causal mechanism. We derive a new generalization bound based on Semantic Coverage Measure ($\eta$) rather than sample size, showing why data scaling on homogeneous distributions may fail to correct
reasoning flaws. We also show that Process Reward Models (PRMs) function as Topological Filters, enforcing step-wise mutual information constraints that render the low-complexity shortcut
manifold inadmissible. These results provide a mathematical grounding for the role of process supervision beyond simple credit assignment.
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All authors Zihan Chen, Yiming Zhang, Wenxiang Geng, Zenghui Ding, Yining Sun
Machine Learning · Cross-listed from cs.AI
Medication-Aware Financial Exploitation Detection for Alzheimer's Patients Using Edge-Aware Interaction Risk Modeling
Farzana Akter, Lisan Al Amin, Rakib Hossain et al. (+2 more)
Financial exploitation is a growing concern for people with Alzheimer's disease, especially during periods of reduced cognitive stability. Conventional fraud detection systems usually rely on financial behavior alone and ignore clinically relevant factors that may alter vulnerability. This paper proposes a medication-aware framework that synchronizes medication adherence with transaction-level monitoring to improve detection of cognitively risky financial events. A hybrid simulation
dataset was constructed for 180 patients across 45 days, producing 8,100 medication records and 30,855 transactions. The framework evaluates amount anomaly, vendor novelty, transaction frequency, time deviation, and medication adherence through financial-only, additive medication-aware, and interaction-aware logistic models. Results show that the financial-only baseline obtained the highest global F1-score of 0.5000, but the interaction-aware model improved recall during medication-induced vulnerability windows from 0.7442 to 0.9070 and achieved the highest average precision for ranked high-risk cases. The findings suggest that medication adherence is most useful as a contextual modifier of financial risk rather than as an isolated predictor.
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All authors Farzana Akter, Lisan Al Amin, Rakib Hossain, Chaitanya Gunupudi, Faisal Quader
Machine Learning · Cross-listed from cs.AI
Moxia: A Trust-First Neuro-Symbolic Execution Architecture for Self-Explaining Mathematical Reasoning
Alessio Bruno
We present Moxia (formerly AXIOM), a trust-first neuro-symbolic architecture for self-explaining mathematical
reasoning over natural-
language input. Its
language model is strictly a canonicalizer: it rewrites informal problem text into a narrow schema consumed by a deterministic Computer-
Algebra-System (CAS) pipeline, which derives and verifies the answer or abstains as a first-class output. Routing follows a 1:1:1
alignment of problem-shape regex, schema-specific
prompt, and closed-form CAS handler, with 4,783 routes shipped, 71% of which answer without invoking the
language model, and zero LOST_CORRECT regressions as a standing release gate. Because the answer is derived rather than generated, so is its explanation: every handler emits a step trace of the computation it performed, rendered as prose by a layer covering all 4,785 task files that cannot narrate a step the handler did not take. Derivations export to Lean 4 as well: 479 task files (10%) emit a
theorem from the problem's declared data, 445 accepted by the Lean kernel with Mathlib; that gate covers a fixture corpus, so live output is generated, not machine-checked. We report two numbers and never fuse them. On the full 7-category MATH test split, designed against, Moxia answers 90.2% (4,510/5,000) with one confident-wrong answer (99.98% trust on parseable). On held-out MATH-500, never designed against, it answers 89.2% (446/500) with zero confident-wrong answers. The 1.0 pp gap is the substantive result: a registry that had merely memorized problem shapes would collapse on held-out data, and this one does not. The rule-only path answers the 20,000-record lm-eval arithmetic
benchmark at 100%, 1 ms per record. What we emphasize is not an accuracy figure but the forward dynamic: every logged abstain is a candidate correct after one ship cycle, since new tasks compose without regressing the registry.
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Machine Learning · Cross-listed from q-bio.NC
Cortex and subcortex play distinct roles over learning when cortical memory is limited
Matthew Farrell and Taro Toyoizumi
It has been proposed that the
brain integrates flexible, computationally expensive cortical processing with simpler, lower-cost subcortical mechanisms to achieve resource-efficient performance greater than that of either system alone. Despite the allure of this perspective, satisfying theoretical frameworks that explore this hypothesis are still limited. We extend existing frameworks in which a model-based module and model-free module learn in tandem by explicitly constraining the
memory resources of the model-based module, and investigate the impact of this constraint in a simple decision-making setting.
Memory constraints naturally give rise to strategies for allocating
memory resources. We evaluate the performance of different strategies in different situations and demonstrate that when the rewarded states change often, it can be advantageous for the model-based module to focus its
memory resources not on exploiting the current reward, but on capturing general structure of the environment. This work provides a theoretical foundation for a functional dissociation between cortical and subcortical systems during learning: the cortex supports general structure learning, while subcortical
circuits specialize in reward-based learning. We further detail how these hypotheses can be tested on experimental data.
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Machine Learning · Cross-listed from cond-mat.mtrl-sci
Manifold Diffusion for Structure Generation of Transition Metal Complexes
Luca Schaufelberger and Kjell Jorner
Transition metal complexes are central to catalysis, drug design, and materials science, with relevant properties strongly sensitive to their three-dimensional geometry. However, the electronic diversity and unconventional bonding environments of transition metal complexes pose a major challenge for accurate structure generation. In this work, we introduce TMCgen, a
manifold diffusion machine learning model that efficiently and accurately generates geometries of transition metal complexes. By formulating the
diffusion process over the metal-ligand coordination angles, combined with torsional and rotational
diffusion of the ligands, TMCgen focuses on the key
geometric degrees of freedom of transition metal complexes. TMCgen shows strong performance in generating accurate coordination environments on a diverse set of experimentally derived bioinorganic and organometallic complexes while requiring only few inference steps, enabling efficient generation. Our results demonstrate the potential of
manifold-based generative modeling for data-efficient geometry generation, paving the way for property-conditioned design of transition metal complexes.
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Machine Learning · Cross-listed from stat.ML
On Finite-sample Concentration of Median of Incomplete U-Statistics
Nong Minh Hieu and Antoine Ledent
Median-of-means (MoM) is a powerful technique that theoretically enables near sub-Gaussian finite-sample rate for parameter estimation when the underlying data distribution is heavy-tailed (e.g., assumed to have only two first finite moments). A recent work has extrapolated this technique to median-of-randomized-U-Statistics (MoRU) and median-of-incomplete-U-Statistics (MoIU) for estimating expectations of heavy-tailed pairwise kernels. In \citet{pmlr-v97-clemencon19a}, a concentration rate that scales like $O(n^{-1/2})$ with sample size has been proven for MoRU. However, despite the computational advantage of the latter, the analysis of finite-sample bound for MoIU remains a significant theoretical challenge. As noted by the authors, a straightforward application of McDiarmid's inequality yields a loose bound of order $O(n^{-1/4})$. In this work, we prove a finite-sample concentration bound for the MoIU
estimator that scales as $O(n^{-1/2})$ with respect to the sample size using a delicate convex decomposition approach. Furthermore, we show that our proof can be seamlessly extended to
geometric median in multivariate settings. Using a Serfling-type argument, we extrapolate our results into a regime where data pairs are selected without replacement across blocks, breaking the usual block-wise independence condition. Then, using a Bernstein-type treatment for U-Statistics, we tighten the dependency of our bounds on the margin $\tau$ from $O(\tau^{-3/2})$ achieved in the previous work to $O(\tau^{-1})$. Finally, we proved anti-concentration results that is applicable for all median
estimators presented in this work to demonstrate that $M\le O(n)$ is an intrinsic restriction on block sizes.
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Machine Learning
Demystifying the Optimal Fair Classifier in Multi-Class Classification
Li Zhang, Yuyuan Li, XiaoHua Feng et al. (+3 more)
Ensuring fair and equitable treatment across diverse groups, particularly in multi-class classification tasks, poses a significant challenge due to the persistent biases inherent in machine learning models. Most existing bias mitigation techniques are tailored to binary settings, and the presence of multi-dimensional outputs and complex
fairness mechanisms makes their extension to multi-class scenarios neither straightforward nor effective. In this paper, we investigate two fundamental, unresolved challenges in fair classification: (i) characterizing the optimal accuracy-
fairness frontier in multi-class settings, and (ii) designing practical
algorithms that attain this optimum in different training phases. To tackle these challenges, we first specify an analytically tractable probabilistic formulation of the optimal classifier under
fairness constraints. Building upon this, we propose two attribute-blind
algorithms to enforce
fairness requirements in practice: an in-processing approach for
fairness intervention during training via the reduction approach, and a post-processing approach for fine-tuning output probabilities with plug-in estimation. Theoretical analysis reveals that both methods converge to the optimal accuracy-
fairness Pareto frontier. Experiments conducted on multiple
datasets demonstrate the superior performance of our methods in balancing accuracy and
fairness.
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All authors Li Zhang, Yuyuan Li, XiaoHua Feng, Jiaming Zhang, Fengyuan Yu, Chaochao Chen
Machine Learning
MESA: Improving MoE Safety Alignment via Decentralized Expertise
Yitong Sun, Yao Huang, Teng Li et al. (+5 more)
Mixture-of-Experts (MoE) architectures scale Large
Language Models (LLMs) efficiently, enabling greater capacity with reduced computational cost by dynamically routing inputs to relevant experts, yet introduce a critical vulnerability: Safety Sparsity, where safety capabilities concentrate in few experts, making them susceptible to
adversarial bypassing. Meanwhile, conventional
alignment methods uniformly adapt all parameters, ignoring their functional differences and inadvertently degrading performances. To address these challenges, we propose MESA (MoE Safety
Alignment), a targeted
alignment framework for MoE-based LLMs that strategically decentralizes safety responsibility to maximize coverage while minimizing interference with utility. Based on Optimal Transport (OT) theory, MESA operates through two mechanisms: (1) Expert Capacity Reallocation uses a transport cost
matrix to distribute safety duties to the most cost-effective experts, and (2) Dynamic Routing Refinement constrains the router to precisely activate these decentralized modules. Experiments show that MESA achieves robust defensive performance against varied harmful
benchmarks while preserving helpfulness. Code is available at https://github.com/lorraine021/MESA.
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All authors Yitong Sun, Yao Huang, Teng Li, Ranjie Duan, Yichi Zhang, Xingjun Ma, Hui Xue, Xingxing Wei
Machine Learning · Cross-listed from stat.ML
Taming the Loss Landscape of PINNs with Noisy Feynman-Kac Supervision: Operator Preconditioning and Non-Asymptotic Error Bounds
Nathanael Tepakbong, Hanyu Hu, Chengyu Liu et al. (+1 more)
Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call “FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic $L^2(\Omega)$-error bounds for FK-PINNs with $\tanh$ activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of $\tanh$ neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.
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All authors Nathanael Tepakbong, Hanyu Hu, Chengyu Liu, Xiang Zhou
Machine Learning
How Neural Losses Shape VAE Latents
Giorgio Strano, Luca Cerovaz, Michele Mancusi et al. (+2 more)
Modern VAEs are rarely trained with the pointwise likelihood implied by the standard $\beta$-VAE objective. In practice, pointwise reconstruction is often combined with perceptual and
adversarial losses, despite a lack of understanding of how this changes the latent dynamics of the model. We show that the choice of reconstruction loss reshapes the rate-distortion problem itself, altering both the information content and the geometry of the learned latent space in ways that may be invisible from reconstructions alone. First, we prove and verify empirically that augmenting pointwise reconstruction with neural terms, such as perceptual and
adversarial objectives, reduces the amount of information stored in the latent representations. Second, we show that neural reconstruction losses systematically change the geometry of the latent space: they make representations more isotropic and distribute uncertainty more evenly across latent dimensions, producing different posterior variance profiles. These findings highlight how the rate-distortion tradeoff is not a comprehensive lens to understand the behavior of VAEs, and we propose a more mechanistic approach to investigate how the choice of a distortion metric reshapes the optimization problem.
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All authors Giorgio Strano, Luca Cerovaz, Michele Mancusi, Tommaso Mencattini, Emanuele Rodolà
Machine Learning · Cross-listed from cs.CL
French parsing enhanced with a word clustering method based on a syntactic lexicon
Anthony Sigogne, Matthieu Constant and Eric Laporte
This article evaluates the integration of data extracted from a French syntactic lexicon, the Lexicon-Grammar (Gross, 1994), into a probabilistic parser. We show that by applying clustering methods on verbs of the French Treebank (Abeillé et al., 2003), we obtain accurate performances on French with a parser based on a Probabilistic Context-Free Grammar (Petrov et al., 2006).
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Machine Learning · Cross-listed from cs.SD
Quality Audio Prototyping: a prototype system for unified sound retrieval and procedural generation
Nelly Garcia, Aditya Bhattacharjee, Gabryel Mason-Williams et al. (+3 more)
Sound design workflows frequently oscillate between time-consuming library searches and the complexity of procedural synthesis, with practitioners typically relying on disconnected tools to address each challenge separately. This paper introduces Quality Audio Prototyping (QuAP), a working prototype that unifies content-based audio
retrieval and procedural sound generation within a single interface, reducing the procedural distance between a narrative concept and its sonic realisation. QuAP integrates a similarity-based
retrieval engine with real-time procedural audio models, complemented by a rule-based assistant that provides perceptually informed parameter guidance, offering definitions and recommendations derived from empirical optimisation rather than requiring prior synthesis knowledge. Preliminary evaluation confirms the viability of this approach: subjective assessment demonstrated statistically significant quality improvements in five of six embedded synthesis models, and an encoder ablation study established the preferred
retrieval architecture on a sound effect
dataset. A user evaluation with 16 practitioners confirmed the tool's workflow utility, with all participants agreeing that the parameter assistant preserved creative agency while lowering the barrier to procedural interaction.
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All authors Nelly Garcia, Aditya Bhattacharjee, Gabryel Mason-Williams, Israel Mason-Williams, Emmanouil Benetos, Joshua Reiss
Machine Learning
CARE-RL: Capability-Aware Reinforcement Learning for Mitigating Cross-Domain Conflicts
Rui Zhang, Xinle Wu and Yao Lu
Reinforcement learning (RL) with verifiable rewards has achieved strong progress in
reasoning-oriented LLMs, but extending it to multi-domain RL remains challenging due to reward unreliability in non-verifiable tasks and capability interference across domains. We propose CARE-RL to combine protocol-aware reward generation with capability-aware optimization for mitigating cross-domain conflicts. For non-verifiable tasks, the Protocol-Aware Generative Reward Model (PA-GRM) constructs
prompt-level evaluation protocols and schemas before producing trace-conditioned rewards, enabling task-adaptive yet comparable evaluation of open-ended responses. For multi-domain optimization, Direction-Aware Capability Subspace Projection (DACSP) extracts historical capability directions from previous RL stages and modulates later updates by amplifying aligned components, suppressing conflicting components, and preserving orthogonal updates. Experiments across math, chat, and instruction-following
benchmarks show that CARE-RL consistently outperforms standard multi-domain RL baselines, achieving Total Avg scores of 47.9 and 50.7 on Qwen2.5-7B and Qwen3-4B, respectively.
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Machine Learning
Looped Transformers with Layer Normalization Provably Learn the Power Method
Lyumin Wu, Chenyang Zhang and Yuan Cao
Transformers have achieved remarkable success across a wide range of applications, and a growing body of work suggests that part of their strength comes from their ability to learn and execute algorithmic procedures. However, our understanding of how
transformers learn such
algorithms remains limited, especially in the presence of layer normalization (LN). In this work, we study principal component prediction as a concrete testbed for understanding the training dynamics of
transformers with LN. We prove that a looped linear
transformer with LN, trained by gradient descent, converges to a solution that implements the power method, with each self-
attention layer performing one power iteration. Notably, the model is trained only for principal component prediction, rather than being explicitly supervised to implement the power method. Our finding thus reveals an "algorithmic implicit bias" of looped
transformers with LN: principal-component prediction can in principle be achieved by many mechanisms, yet gradient descent selects one that realizes the power method. We further provide a concrete comparison between
transformers with and without LN: even with layerwise guidance from power iterations, a
transformer without LN cannot exactly learn the power method, whereas the corresponding
transformer with LN can, leading to a provable performance gap in principal component prediction. Our results provide, to our knowledge, the first theoretical analysis of the training dynamics of looped and single-layer
transformers with LN, and shed light on the role of LN in
transformer models.
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Machine Learning · Cross-listed from stat.ML
Spectra-Guided Neural Tucker Factorization
Fusheng Wang and Yikai Hou
This paper proposes Spectra-Guided Neural Tucker Factorization (SG-NTF) for High-Dimensional and Incomplete (HDI) tensor completion. Circumventing discrete representational limits, SG-NTF maps scalar timestamps into a continuous spectral space to abstract temporal periodicities. Concurrently, a Spatio-Temporal Co-Gating (STCG) mechanism explicitly filters latent interactions via multiplicative modulation on spatiotemporal contexts. Evaluations on real-world HDI tensors verify that SG-NTF maintains competitive completion accuracy with parameter efficiency.
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Machine Learning · Cross-listed from cs.CV
Improving Visual Representation Alignment Generation with GRPO
Shentong Mo and Sukmin Yun
Recent
diffusion transformers have demonstrated strong image synthesis capabilities but remain inefficient to train due to weak
alignment between generative and discriminative representations. While representation
alignment frameworks such as REPA improve convergence by aligning noisy denoising features with pretrained visual encoders, their externally supervised
alignment loss is static and lacks adaptivity during training and inference. Existing methods rely on fixed cosine
alignment or contrastive objectives, which cannot dynamically balance representation consistency and generation quality, resulting in limited discriminative benefit and failing to optimize
alignment in a task-adaptive manner. To address this, we propose VRPO, a reinforcement-based optimization strategy that replaces REPA's static
alignment loss with a generative representation policy optimization objective. Instead of enforcing a fixed similarity constraint, VRPO treats representation
alignment as a reward-guided process: the model receives adaptive rewards based on generation fidelity, perceptual quality, and semantic coherence between the
diffusion features and pretrained visual
embeddings. This formulation enables the generator to continuously refine its internal representations toward semantically meaningful directions while improving image quality. Our VRPO-driven training seamlessly integrates into
diffusion transformers, introducing negligible computation cost and preserving full compatibility with SiT and DiT architectures. Extensive experiments on ImageNet-256x256 demonstrate that our VRPO-
Alignment substantially enhances both convergence and fidelity, achieving up to +1.8 FID improvement and 2.3x faster training compared to REPA under identical compute budgets.
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Machine Learning
LSVD: Loss-Aware Low-Rank Approximation for Efficient Low-Precision Vision-Language Models
Haiyu Wang, Yutong Wang, Leshu Li et al. (+2 more)
Vision-
language models (VLMs) deliver strong
multimodal reasoning capabilities, but their large computational cost and high parameter counts make deployment challenging on resource-constrained devices. Low-rank decomposition has emerged as a promising compression technique, yet existing methods often optimize local
matrix reconstruction error, rely on uniform or heuristic rank allocation, and focus mainly on
attention projections while leaving feed-forward networks underexplored. In this paper, we propose~
LASER (Loss-Aware Singular-value dEcomposition and Rank allocation), a low-rank compression framework for efficient low-precision VLM inference.
LASER derives a
curvature-weighted SVD objective from a second-order approximation of the model loss and uses Kronecker-factored Fisher information to guide decomposition toward downstream performance rather than reconstruction alone. We further introduce a loss-aware cross-layer rank allocation strategy based on calibration gradients, enabling more effective parameter budgeting across layers. Finally, we extend low-rank compression to FFN layers through a hybrid scheme that combines SVD with quantization. The evaluation results show that
LASER achieves more than $2.3\times$ decoding speedup over previous work while preserving strong accuracy under low-precision inference.
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All authors Haiyu Wang, Yutong Wang, Leshu Li, Yihui Ren, Sai Qian Zhang
Machine Learning
Spatiotemporal Multi-Task Graph Transformer for Trip-Level Transit Prediction
Oluwaleke Yusuf, Adil Rasheed and Frank Lindseth
Passenger count data from public transit systems reveals urban mobility patterns and is essential for planning, operation, and optimisation. However, non-linear spatiotemporal interdependencies across stops and lines make modelling and prediction challenging. Existing approaches often rely on fixed temporal, spatial, or stop-level formulations, limiting their ability to capture within-trip
evolution and network context. This study proposes SMT-GraphFormer, a spatiotemporal multi-task graph
transformer that frames trip-level transit prediction as sequence-to-sequence modelling. Given a line's stop sequence and trip-level context, the model predicts successive boarding and alighting counts, with delay and dwell time treated as encoder-side surrogate tasks. Key components include graph
embeddings for multi-relational stop similarity, a context encoder for weather and temporal information, and a multi-gate mixture-of-experts module that produces task-specific decoder representations for boarding and alighting predictions. Evaluation on public bus transit data from Trondheim, Norway, shows that SMT-GraphFormer outperforms stop-level tabular
benchmarks, with ablation studies examining each component's contribution. The sequential formulation yields substantial gains on alighting prediction ($+$0.24 in $R^2$) and consistent improvements on boarding, delay, and dwell, confirming the value of explicit trip-level sequential bias and inter-target dependencies. These findings demonstrate the potential of
transformer-based sequence modelling for capturing complex spatiotemporal dynamics in public transit and underscore the value of architectures tailored to transit data rather than off-the-shelf tabular models. The proposed framework provides a horizon-agnostic basis for scenario analysis in digital twin environments, supporting informed decision-making by planners and transit operators.
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Machine Learning
On the Difficulty of Learning a Meta-network for Training Data Selection
Zilin Du, Junqi Zhao and Boyang Albert Li
Synthetic data are increasingly used to train neural networks, yet distributional mismatch with real data limits their effectiveness when used indiscriminately. A common strategy is to learn data weights via bi-level optimization, which we refer to as Meta-learning for Training-data Selection (MTS). Interestingly, in practice, MTS often performs below expectation. We identify two obstacles in properly training MTS: a poor gradient signal-to-noise ratio (GSNR), which causes optimization difficulties, and lack of informative features that correlates with data quality. We present a mathematical analysis of MTS, which reveals the dynamics of normalized data weights and the relation between disparate data quality and poor GSNR. The analysis suggests a a simple yet effective solution: increasing the batch size. Further, we propose a set of informative features that capture the positions of training data in their distributions and training dynamics. Experiments across four
benchmarks show consistent improvements, achieving average gains of 5.49% over training without selection and 2.89% over the strongest baseline.
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