Machine Learning
Memorization in image classification: test set behavior and scaling laws
Jeevesh Attri and Florentin Guth
Deep neural networks are capable of both learning generalizing solutions on natural tasks and memorizing arbitrary mappings. We argue that understanding the former requires understanding the latter, which is much less studied. In what ways do networks that generalize or memorize differ in their behavior or their training dynamics? Do memorizing networks simply function as a lookup table where input-output mappings are stored independently? We investigate these questions in the context of CNNs trained on image classification tasks with randomized labels or pixels. We first study the behavior of such memorizing networks on unseen images. We find that independently initialized networks trained on the same random labels learn different predictive functions: they make different predictions on test examples, in contrast with generalizing networks. We then examine the effect of
dataset size on memorization through the required network capacity and training time to interpolate the training set. Counter-intuitively, we find that the number of presentations of a given example required for complete memorization can decrease with
dataset size even when input-output pairs share no common structure. Although memorizing networks do not learn a universal solution, they exhibit interesting behaviors which call for further investigations into the underlying mechanisms.
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Machine Learning · Cross-listed from cs.CV
Regime-Aware Router Learning for Multi-Domain Medical Image Generation with Diffusion Experts
Yaoshuai Ma, Wei Yao, Yongxiang Liu et al. (+5 more)
Heterogeneous medical image data motivate domain-specialized
diffusion experts, but expert specialization alone does not determine how their predictions should be combined during sampling. Learning a global router is particularly challenging when the server has limited, potentially unrepresentative images. We study two router-learning strategies for a fixed expert pool. Server-Only learns input- and timestep-dependent expert assignments from server images with component labels. Anchor-Delta (AD) uses the same images and frozen experts to obtain additional evidence from denoising losses. It distills targets that combine this evidence with the current router's assignments, while a proxy gate controls a subsequent refinement step. Component labels describe data origin; expert losses measure empirical prediction performance. We evaluate these distinct signals through routing analyses and paired medical image generation. An AD-trained router improves generation metrics over Server-Only in a heterogeneous four-domain setting, and a separate server-data study shows gains in held-out routing over a corrected-routing comparator. Additional paired evaluations show that the effect of inference-time evidence mixing varies across
benchmarks. These findings establish server-data availability and expert performance as distinct considerations in learning routers for multi-domain
diffusion models.
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All authors Yaoshuai Ma, Wei Yao, Yongxiang Liu, Feifan Wang, Da Chang, Pengxiang Xu, Shixun Zhang, Yonghong Tian
Machine Learning · Cross-listed from cs.AI
Beyond Single-Pathogen Forecasts: Predicting Shared Respiratory Hospital Burden from Influenza, COVID-19, and RSV
Gaurob Saha, MinJae Woo and Lior Rennert
Co-circulating influenza, COVID-19, and respiratory syncytial virus (RSV) create a shared hospital-admission burden, because beds, staff, testing capacity, and respiratory support are allocated to total demand rather than to one pathogen at a time. This makes respiratory forecasting a target-construction problem as well as a modeling problem: disease-specific forecasts preserve attribution, whereas hospitals also need a single planning signal for combined burden. We developed a supervised 1- to 4-week-ahead framework for weekly admissions and compared two total-burden strategies: summing independently generated pathogen-specific forecasts and forecasting the combined admission target directly. Evaluation included retrospective held-out testing and prospective operational forecasts issued before the corresponding admission weeks were observed, with performance summarized using MAE and Percent Agreement (PA; the smaller of model-generated and observed counts divided by the larger). In retrospective total-burden evaluation, the combined-burden model had PA values of 0.85, 0.78, 0.74, and 0.76 and MAE values of 80.63, 200.09, 183.97, and 156.13 from week 1 to week 4 ahead, compared with summed-forecast PA values of 0.85, 0.80, 0.69, and 0.69 and MAE values of 100.14, 200.06, 205.65, and 217.57. Prospectively, the combined-burden model had higher PA and lower MAE at all four horizons, with the largest separations at weeks 3 and 4 ahead. These results support layered respiratory forecasting: pathogen-specific forecasts remain necessary for etiologic interpretation, while combined-burden forecasts better align with hospital preparedness and shared-capacity planning.
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Machine Learning
Dream2Discern: Learning from Hard Latent Variants for Runtime Failure Prediction in Multi-Agent Systems
Boxuan Zhang, jianing Zhu, Xiaotian Han et al. (+1 more)
Reliable deployment of LLM-based multi-
agent systems calls for runtime auditors that predict terminal outcomes from observed execution prefixes. These auditors typically learn from a limited corpus of trajectories with verified outcomes. Expanding this corpus requires costly execution and verification, yet broader failure coverage alone provides no explicit criterion for identifying prefixes that the current auditor finds difficult to classify. To this end, we propose Dream2Discern, a runtime auditor trained through implicit augmentation guided by its own prediction loss. During Dream, we select perturbations of the auditor's representation operators to increase prediction loss on recorded prefixes, yielding hard latent variants. During Discern, the auditor learns to predict execution outcomes from these variants using the original labels. The variants are regenerated as the auditor learns, turning a limited corpus into a renewable source of hard examples and requiring no additional trajectory collection or outcome verification. Extensive evaluations on AFTraj-2K and StepShield show that Dream2Discern outperforms competitive failure auditors and achieves over 90% trajectory-level weighted accuracy on both
benchmarks while balancing prediction accuracy and timeliness. Project page: https://zbox1005.github.io/dream2discern-project/
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All authors Boxuan Zhang, jianing Zhu, Xiaotian Han, Ruixiang Tang
Machine Learning · Cross-listed from cs.AI
Understanding and Reducing Misalignment in Persuasion Optimization
Boyi Wei, Ruta Desai, Peter Henderson et al. (+1 more)
Frontier models are now trained for complex multi-
agent tasks, from running a company to engaging in negotiations. These tasks necessitate training models to be persuasive. But what does this optimization pressure mean for model
alignment? In this work, we study how reinforcement learning (RL) training for persuasion affects models' use of misaligned strategies such as evidence fabrication and belief coercion, and what techniques can reduce such misalignment. We find that optimizing sender models solely for receiver belief shifts causes the average number of distinct misaligned strategies used per game to increase by more than 25%, and fabrications per game increase to more than 4 times relative to pre-RL models. We compare various mitigation approaches, including stronger strategy guidance, clean demonstrations, penalizing misaligned strategy usage, and improving the model's ability to detect fabrications. We find that navigating the persuasiveness-misalignment trade-off in this setting is challenging, with the best trade-offs coming from combining guidance on aligned persuasion strategies with reward penalties on misalignment. Overall, our work provides a testbed for assessing misalignment stemming from RL-based persuasion training and shows concrete paths for reducing misalignment. Importantly, it highlights that without direct intervention, persuasion-involved RL environments are likely to naturally lead to large increases in the use of misaligned strategies.
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All authors Boyi Wei, Ruta Desai, Peter Henderson, Wenyue Hua
Machine Learning
Interpretable Graph Partitioning for Spatial Prediction
Yuta Shikuri
Spatial prediction estimates unobserved values from spatially distributed observations. Although flexible predictive models are increasingly available, their practical use remains limited when interpretability is essential. In this study, we formulate a graph partitioning problem to construct a global surrogate model that approximates black-box predictions with simpler representations. Specifically, we select connected subgraphs to minimize within-cluster residuals in vertex-level predictions. Although this formulation can be viewed as a variant of spatial regionalization, it operates on model-based predictions at individual locations rather than predefined areal units. With many locations, this point-level formulation may produce artificial connections between regions, reducing interpretability. We therefore introduce a constraint that excludes such connections while retaining flexible partition boundaries. We theoretically analyze how this constraint affects the resulting partition. We also develop a computational procedure for adjusting partition boundaries. Experimental results show that the proposed method yields spatially coherent partitions with flexible boundaries.
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Machine Learning · Cross-listed from cs.CE
How the Classical Baseline Shapes Machine-Learning Speed Claims in Topology Optimization
Shaoliang Yang and Jun Wang
Topology optimization places material so that a structure resists deformation under given loads. Machine-learning methods often report large speed-ups over classical, non-learned optimization, but a slow classical code or a less stiff learned design can exaggerate them. We re-ran released code for eight methods on one workstation and studied two in depth: Optimize Any
Topology (OAT), a
diffusion model that generates designs, and a graph-based neural optimizer. Speeding up only the classical code's finite-element solver cut these two methods' speed-ups by up to 20-fold. We then timed the classical code until its design was at least as stiff as the learned one; for OAT, we read this point off the completed runs. Published timings imply a 134x speed-up for OAT on a 256 x 256 grid; our matched single-design comparisons gave 1.5x to 3.5x. At matched stiffness, the graph-based optimizer was slower than the classical code in all six two-dimensional problems. Of the six other methods, two kept their advantage, one shrank, one reversed and two were not comparable. In an exploratory audit of published claims,
language models judged that 8 of 28 speed comparisons in randomly sampled, openly accessible articles lacked evidence of equal design quality; our own review counted 11, so the count depends on who judges. We provide a comparison procedure and a minimum report: classical code, hardware, design quality, what each timing includes, and data-generation and training costs.
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Machine Learning
Backward Conformal Prediction under Covariate Shift
Amin Meghrazi and Yuanyuan Li
Backward conformal prediction (BCP) fixes the size of a prediction set and estimates its miscoverage, but assumes calibration and test data are exchangeable. We extend BCP to
covariate shift through importance weighting, preserving its guarantees when the density ratio is known. We show that BCP's tight miscoverage report depends only on the relative weight assigned to missed calibration examples, explaining why a better domain classifier can sometimes produce a worse estimate. Motivated by the fact that BCP depends only on nonconformity scores, we propose estimating density ratios on sorted score vectors rather than high-dimensional inputs. We prove that this approach recovers the same report asymptotically under an interpretable condition and characterize the resulting bias otherwise. Experiments with simulated and
benchmark distribution shifts show that the proposed method improves BCP's miscoverage estimates, while score-based weighting consistently yields more accurate estimates than
embedding-based weighting.
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Machine Learning
Autoregressive Decoding as a Martingale: Characterizing the Stochastic Dynamics of LLM Generation
Xiahui Zhu, Zhenyi Qi, Wanwei Liu et al. (+4 more)
Large
language models (LLMs) have achieved remarkable success across a wide range of
language tasks. At their core, autoregressive LLMs are conditional probability models that learn to approximate the next-
token distribution given the preceding context. Despite this probabilistic nature, the
stochastic dynamics of autoregressive decoding have rarely been investigated from a rigorous probabilistic perspective. In this work, we define the per-step prediction error as the difference between the sampled
token indicator and the model's conditional predictive distribution, and prove that the cumulative error process is a martingale with respect to the decoding filtration, implying that its conditional first-order moment is identically zero. Beyond this first-order property, we derive a closed-form expression for the second-order behavior of the martingale sequence: its predictable quadratic variation reduces to $\sum_t\left(1-p(y_t\mid y_{<t})\right)$, computable from realized
token probabilities alone. This identity establishes a direct theoretical connection between sequence fluctuations and predictive uncertainty during autoregressive decoding. White-box experiments on Llama-3.x and Qwen2.5 families (1B to 72B parameters) verify that the empirically measured second-order moments closely match the theoretical predictions derived from our martingale analysis. These results provide a probabilistic framework for analyzing autoregressive LLM decoding, reveal intrinsic probabilistic fingerprints of different
language models, and establish a rigorous mathematical foundation for LLM-generated text detection and uncertainty quantification.
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All authors Xiahui Zhu, Zhenyi Qi, Wanwei Liu, Haoang Chi, Yang Tan, Xinyu Sun, Ji Wang
Machine Learning · Cross-listed from math.NA
CLNO: Conservative Local Neural Operator for Compressible Flow Prediction
Buxuan Wang, Rongzu Li and Qingsong Zou
We propose a conservative local neural operator (CLNO) for accurate and generalizable autoregressive prediction of compressible flows. Building upon the locality and translation invariance of the local neural operator (LNO), CLNO introduces a conservative
evolution framework based on local subdomains of fixed physical size, separating local mean-state
evolution from fine-scale reconstruction. The flow is encoded into subdomain-integrated conservative states and fine-scale features, while a shared local network predicts interface fluxes for finite-volume updates that enforce discrete conservation. A convolutional reconstruction network recovers fine-scale structures using zero-mean basis functions, preserving the updated local means and providing information for subsequent
evolution. To accommodate different physical parameters, Reynolds–Mach number conditioning modulates the encoding, flux-prediction, and reconstruction networks, enabling a single model to learn parameter-dependent dynamics and generalize to unseen parameter combinations without retraining. CLNO supports prediction across spatial resolutions, computational domain sizes, and boundary conditions. Numerical experiments demonstrate improved generalization and competitive or higher accuracy compared with LNO, including order-of-magnitude error reductions in representative cases, at approximately three to five times the inference cost on periodic
benchmarks. These results demonstrate accurate, generalizable, and physically consistent flow prediction through conservative local
evolution and fine-scale reconstruction.
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Machine Learning · Cross-listed from stat.ML
A Nonlinear Time-Series Theory for Constant-step SGD with Momentum
Younghun Lee, Jake Zummo and Wei Biao Wu
Constant-step
stochastic gradient descent with momentum (SGDM) augments the parameter recursion with a momentum state that carries geometrically decaying
memory of past
stochastic gradients. We study this coupled recursion as a nonlinear time series and develop a framework for its stationary behavior and distributional limits. The joint parameter-momentum process forgets its initialization geometrically under a finite $p$th moment for $p > 1$, yielding a unique stationary causal solution. Under a second-moment condition, this contraction leads to an invariance principle and quenched Gaussian limit for averaged SGDM, while a small-learning-rate analysis gives a Gaussian limit for the last iterate. In a
stochastic-
curvature quadratic model, we further study how the rate of initialization forgetting relates to stationary variance and averaged fluctuations.
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Machine Learning · Cross-listed from stat.ML
Limit Theory for Online Expectile Estimation under Short and Long Range Dependence
Younghun Lee, Jake Zummo and Wei Biao Wu
Expectiles are tail-sensitive distributional summaries with important applications in financial risk measurement and forecasting, yet statistical theory for their online estimation from dependent data remains limited. We study a one-pass,
stochastic-gradient
algorithm with constant learning rate $\gamma$ for estimating the marginal expectile of a stationary causal process. The recursion admits a unique stationary causal solution and geometrically forgets its initialization. Under short-range dependence, its last iterate is asymptotically Gaussian at the $\sqrt{\gamma}$ scale, with variance governed by the population
curvature and the long-run variance of the expectile score. For long-
memory linear processes the scale changes to $\gamma^{\beta-1/2}\ell(1/\gamma)$, with a Gaussian limit arising from a fractional Brownian motion integral. We further derive the joint long-
memory limit for multiple expectile levels and characterize its limiting covariance structure. Various numerical experiments corroborate the predicted Gaussian approximations and regime-specific fluctuation scales.
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Machine Learning
When Does Compensating Inherited Quantization Error Help? Mean-Square Guarantees for Layer-Wise Quantization and Their Limits
Tianhao Guo
Layer-wise post-training quantization methods let each layer compensate for the quantization error inherited from earlier layers. We ask under what assumptions such compensation guarantees a network output error no larger than without it. For linear networks of any depth, with the required calibration Gram
matrices invertible, if the rounding error of each layer has zero conditional mean and a deterministic second-moment map common to both schemes, as under subtractive dither on an unbounded grid, then compensation with strengths in $[0,1]$ fixed in advance gives a mean-square output error no larger than no compensation, each scheme being followed along its own trajectory. The exact gain separates error removed directly from reduced excitation of later rounding noise. Outside this setting the comparison can fail. With rectified linear activations it fails for two independent reasons: noise changes activation states, and, even when no state changes, the correction moves error from samples on which a unit is inactive to samples on which it is active. With stable activations, commutators between the calibration projection and the activation patterns bound the excess. With a bounded codebook, even unique exact layer-wise minimizers with no overload can give a larger output error. For fixed rounding errors it already fails for two scalar linear layers, refuting a published universal guarantee. An exact residual identity gives the necessary and sufficient condition on a common layer input. All these comparisons hold the calibration input fixed. On two 8B models at 4 bits, fixed half-strength compensation beat uncompensated rounding in every model, text and draw tested, yet no rule for choosing the strength beat a layer-wise rule consistently, and lowering the full-network loss on the data used to choose did not reliably lower it on new text.
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Machine Learning
Certified Robustness via Sparse Second-Order Cone Relaxations
Mohammadreza Maleki, Daniel Sadig, Rushendra Sidibomma et al. (+3 more)
Certified robustness is critical for deploying neural networks in safety-sensitive settings, but computing exact certificates typically requires solving nonconvex optimization problems. Practical verifiers use convex relaxations: linear programming (LP) relaxations are scalable but often too conservative, whereas semidefinite programming (SDP) relaxations can be substantially tighter but are computationally expensive. We introduce a hierarchy of second-order cone programming (SOCP) relaxations that provide stronger certificates than LP while avoiding the cost of global positive-semidefinite constraints. Our construction combines convex-hull relaxations of ReLU activations, selective McCormick lifting over certified variable bounds, and second-order cone constraints induced by 2-by-2 principal minors. Adding these constraints progressively yields a monotone hierarchy of increasingly tight bounds with a controllable computation-tightness trade-off. On fully connected and convolutional networks on MNIST and CIFAR-10, SOCP-based verification improves certified robust accuracy over LP-based verification and is competitive with alpha,beta-CROWN, while remaining orders of magnitude faster than SDP-based verification. These results position selective second-order constraints as a practical middle ground between scalable LP-based and tight SDP-based certification. Finally, we introduce class-optimized robust evaluation (CORE), which applies tighter relaxations only to target classes not certified by cheaper ones. On the fully connected MNIST
benchmark, CORE variants match SDP-cert's certified robust accuracy while reducing average verification time by up to 86.30%.
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All authors Mohammadreza Maleki, Daniel Sadig, Rushendra Sidibomma, Mahyar Fazlyab, Arman Adibi, Reza Samavi
Machine Learning · Cross-listed from cs.CL
Improving the Evaluation of Biomedical Question Answering with Few Human Preference Signals
Shakila Mahjabin Tonni, Xiang Dai, Sarvnaz Karimi et al. (+3 more)
Retrieval-Augmented Generation (RAG) systems are increasingly used for biomedical Question Answering (QA). However, evaluating their effectiveness remains challenging due to the lack of reliable reference resources and the frequent misalignment between automatic evaluation metrics and human judgments. One practical question is how evaluation results should be used to guide development decisions, especially when they correlate weakly with human judgments and may even lead to different conclusions. We explore how to use a small amount of human preference signals to calibrate direct assessment evaluation metrics, and show that calibrated metrics consistently outperform baselines that either treat all metrics equally or rely on a single best metric across multiple
datasets.
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All authors Shakila Mahjabin Tonni, Xiang Dai, Sarvnaz Karimi, Xiaomei Li, Samuel C. Andrew, Stephen Wan
Machine Learning
A 4-Qubit Variational Quantum Classifier for Sequence-Specific Classification of DNMT3A and DNMT3B Flanking Methylation Preferences
Murat Isik, Yusuf Moinuddin, Humaira Gowher et al. (+1 more)
DNA methylation is a critical epigenetic modification that regulates gene expression and genome stability, primarily catalyzed by the DNA methyltransferase 3 (DNMT3) family of enzymes. Distinguishing precise sequence-specific flanking preferences between DNMT3A and DNMT3B remains computationally challenging due to the complex and high-dimensional nature of biochemical sequence data. In this study, we propose a novel
Quantum Machine Learning (QML) approach to classify DNA methylation preferences, leveraging a Variational
Quantum Classifier (VQC). Using experimentally derived deep enzymology data, we constructed a
dataset containing 4,096 unique NNNCGNNN motifs. We evaluated a four-
qubit VQC using a custom NumPy exact-statevector simulator. The described two-layer
circuit contains 24 trainable rotations, eight CNOT gates, and eight input-encoding rotations, totaling 40 gates before measurement. Across five initialization seeds, the revised VQC evaluation achieved a ROC-AUC of 0.661 pm 0.009, where variability denotes sample standard deviation. The held-out test partition is approximately balanced, containing 200 DNMT3A-labeled motifs and 210 DNMT3B-labeled motifs. An always-DNMT3B predictor achieves 51.2% accuracy and a balanced accuracy of 0.500 on this test partition. This proof-of-concept establishes a foundation for utilizing near-term
quantum architectures in complex epigenetic classification tasks, paving the way for hybrid
quantum-classical pipelines in bioinformatics.
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All authors Murat Isik, Yusuf Moinuddin, Humaira Gowher, Sabre Kais