Machine Learning
Towards Fully Parameter-Free Stochastic Optimization: Grid Search with Self-Bounding Analysis
Yuheng Zhao, Yu-Hu Yan, Amit Attia et al. (+3 more)
Parameter-free
stochastic optimization aims to design
algorithms that are agnostic to the underlying problem parameters while still achieving convergence rates competitive with optimally tuned methods. While some parameter-free methods do not require the specific values of the problem parameters, they still rely on prior knowledge, such as the lower or upper bounds of them. We refer to such methods as “partially parameter-free”. In this work, we target achieving “fully parameter-free” methods, i.e., the algorithmic inputs do not need to satisfy any unverifiable condition related to the true problem parameters. We propose a powerful and general grid search framework, named Grasp, with a novel self-bounding analysis technique that effectively determines the search ranges of parameters, in contrast to previous work. Our method demonstrates generality in: (i) the non-convex case, where we propose a fully parameter-free method that achieves near-optimal convergence rate, up to logarithmic factors; (ii) the convex case, where our parameter-free methods are competitive with strong performance in terms of acceleration and universality. Finally, we contribute a sharper guarantee for the model ensemble, a final step of the grid search framework, under interpolated variance characterization.
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All authors Yuheng Zhao, Yu-Hu Yan, Amit Attia, Tomer Koren, Lijun Zhang, Peng Zhao
Machine Learning
SinkRouter: Sink-Aware Routing for Efficient Long-Context Decoding in Large Language and Multimodal Models
Junnan Liu, Xinyan Liu, Peifeng Gao et al. (+4 more)
In long-context decoding for LLMs and LMMs,
attention becomes increasingly
memory-bound because each decoding step must load a large amount of KV-cache data from GPU
memory. Existing acceleration strategies often trade efficiency for accuracy by relying on heuristic
pruning that may discard useful information. At a deeper level, they also tend to indiscriminately preserve all high-scoring
tokens, treat early
tokens as indispensable anchors, or rely on heuristic head routing, reflecting an insufficient mechanistic understanding of the
attention sink phenomenon. In this paper, we show that the
attention sink phenomenon corresponds to a stable, reachable, and error-controllable fixed point constructed during training. Based on this insight, we propose SinkRouter, a training-free selective routing framework that detects the sink signal and skips computations that would otherwise produce near-zero output. To translate this mechanism into real-world acceleration, we develop a hardware-aware Triton kernel with block-level branching and Split-K parallelism. We conduct extensive evaluations on a diverse suite of long-context
benchmarks, including LongBench, InfiniteBench, CVBench, MileBench, and MMVP, using both text-only and
multimodal backbones such as Llama-3.1-8B, Llama-3.1-70B, Yi-9B-200K, LLaVA-1.5-7B, and LLaVA-1.5-13B. Across these settings, SinkRouter consistently improves decoding efficiency while maintaining competitive accuracy, and reaches 2.03x speedup with a 512K context.
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All authors Junnan Liu, Xinyan Liu, Peifeng Gao, Zhaobo Qi, Beichen Zhang, Weigang Zhang, Antoni Bert Chen
Machine Learning
OC-Distill: Ontology-aware Contrastive Learning with Cross-Modal Distillation for ICU Risk Prediction
Zhongyuan Liang, Junhyung Jo, Hyang-Jung Lee et al. (+2 more)
Early prediction of severe clinical deterioration and remaining length of stay can enable timely intervention and better resource allocation in high-acuity settings such as the ICU. This has driven the development of machine learning models that leverage continuous streams of vital signs and other physiological signals for real-time risk prediction. Despite their promise, existing methods have important limitations. Contrastive pretraining treats all patients as equally strong negatives, failing to capture clinically meaningful similarity between patients with related diagnoses. Meanwhile, downstream fine-tuning typically ignores complementary modalities such as clinical notes, which provide rich contextual information unavailable in physiological signals alone. To address these challenges, we propose OC-Distill, a two-stage framework that leverages
multimodal supervision during training while requiring only vital signs at inference. In the first stage, we introduce an ontology-aware contrastive objective that exploits the ICD hierarchy to quantify patient similarity and learn clinically grounded representations. In the second stage, we fine-tune the pretrained encoder via cross-modal knowledge
distillation, transferring complementary information from clinical notes into the model. Across multiple ICU prediction tasks on MIMIC, OC-Distill demonstrates improved label efficiency and achieves state-of-the-art performance among methods that use only vital signs at inference.
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All authors Zhongyuan Liang, Junhyung Jo, Hyang-Jung Lee, Sang Kyu Kim, Irene Y. Chen
Machine Learning
Untrained CNNs Exceed Backpropagation in V1 Alignment at High Evaluation Resolution: A Systematic RSA Comparison of Four Learning Rules Against Human fMRI
Nils Leutenegger
Revised version (v4): noise ceiling replaced, analyses restricted to stimulus pairs presented in different fMRI runs, repaired evaluation of all five conditions. We compare four learning rules (backpropagation (BP), feedback
alignment (FA), predictive coding (PC), and spike-timing-dependent plasticity (STDP)) in identical convolutional networks against human fMRI from THINGS-fMRI (720 stimuli, 3 subjects) using representational similarity analysis (RSA), together with an untrained random-weights baseline that isolates the contribution of architecture. Models are trained on 32 px CIFAR-10 and evaluated at 224 px; results are averaged across 5 seeds, with uncertainty from resampling stimuli. At V1, the untrained baseline exceeds BP ($\rho = 0.053$ vs. $0.022$; $\Delta\rho = +0.031$, 95% CI $[0.019, 0.043]$), and the same holds at V2. This advantage depends on the evaluation resolution: in the 5-seed model set of the resolution study (gap $+0.030$ at 224 px), it vanishes when the models are evaluated at their 32 px training resolution ($\Delta\rho = -0.001$, 95% CI $[-0.011, 0.009]$; arXiv:2608.12408). At LOC, BP, PC and STDP exceed the untrained baseline, FA is borderline, and the trained rules do not differ from each other. At IT, no two conditions can be distinguished at the low reliability of the data (leave-one-subject-out lower bound 0.021). FA has the lowest
alignment at V1. At V1, an untrained network thus matches BP at the training resolution and exceeds it at 224 px; learning-rule differences are resolvable only at an intermediate area.
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Machine Learning · Cross-listed from cs.AI
GRAIL: Autonomous Concept Grounding for Neuro-Symbolic Reinforcement Learning
Hikaru Shindo, Henri Rößler, Quentin Delfosse et al. (+1 more)
Neuro-symbolic Reinforcement Learning (NeSy-RL) combines symbolic
reasoning with gradient-based optimization to achieve interpretable and generalizable policies. Relational concepts, such as "left of" or "close by", serve as foundational building blocks that structure how
agents perceive and act. However, conventional approaches require human experts to manually define these concepts, limiting adaptability since concept semantics vary across environments. We propose GRAIL (Grounding Relational
Agents through Interactive Learning), a framework that autonomously grounds relational concepts through environmental interaction. GRAIL leverages large
language models (LLMs) to provide generic concept representations as weak supervision, then refines them to capture environment-specific semantics. This approach addresses both sparse reward signals and concept misalignment prevalent in underdetermined environments. Experiments on the Atari games Kangaroo, Seaquest, and Skiing demonstrate that GRAIL matches or outperforms
agents with manually crafted concepts in simplified settings, and reveals informative trade-offs between reward maximization and high-level goal completion in the full environment.
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All authors Hikaru Shindo, Henri Rößler, Quentin Delfosse, Kristian Kersting
Machine Learning · Cross-listed from stat.ML
Extraction of informative statistical features in the problem of forecasting time series generated by Itô-type processes
Victor Korolev, Mikhail Ivanov, Tatiana Kukanova et al. (+4 more)
In this paper, we consider the problem of extraction of most informative features from time series that are regarded as observed values of
stochastic processes satisfying the Itô
stochastic differential equations with unknown random drift and
diffusion coefficients. We do not attract any additional information and use only the information contained in the time series as it is. Therefore, as additional features, we use the parameters of statistically adjusted mixture-type models of the observed regularities of the behavior of the time series. Several
algorithms of construction of these parameters are discussed. These
algorithms are based on statistical reconstruction of the coefficients which, in turn, is based on statistical separation of normal mixtures. We obtain two types of parameters by the techniques of the uniform and non-uniform statistical reconstruction of the coefficients of the underlying Itô process. The reconstructed coefficients obtained by uniform techniques do not depend on the current value of the process, while the non-uniform techniques reconstruct the coefficients with the account of their dependence on the value of the process. Actually, the non-uniform techniques used in this paper represent a
stochastic analog of the Taylor expansion for the time series. The efficiency of the obtained additional features is compared by using them in the autoregressive
algorithms of prediction of time series. In order to obtain pure conclusion that is not affected by unwanted factors, say, related to a special choice of the architecture of the neural network prediction methods, we used only simple autoregressive
algorithms. We show that the use of additional statistical features improves the prediction.
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All authors Victor Korolev, Mikhail Ivanov, Tatiana Kukanova, Artyom Rukavitsa, Alexander Vakshin, Peter Solomonov, Alexander Zeifman
Machine Learning
Learning to Trade Like an Expert: Cognitive Fine-Tuning for Stable Financial Reasoning in Language Models
Yuchen Pan and Soung Chang Liew
Recent deployments of large
language models (LLMs) as autonomous trading
agents raise questions about whether financial decision-making competence generalizes beyond specific
market patterns and how it should be trained and evaluated in noisy
markets lacking ground truth. We propose a structured framework for training and evaluating such models. Central to our approach is a curated, multiple-choice question (MCQ)
dataset derived from classic textbooks and historical
markets, verified by an AI committee, enriched with structured
reasoning traces, and augmented to reduce shortcut learning. To evaluate whether performance on isolated MCQs generalizes to real-world trading, we introduce a two-stage protocol combining test-set evaluation with an MCQ-based chronological trading simulation. Extensive evaluations across
market regimes provide statistically robust evidence that open models trained with our framework exhibit competitive, risk-aware behavior over time, outperform open-source baselines, and approach frontier-model performance at smaller scale. We release the
dataset and evaluation framework to support further research.
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Machine Learning
CCAR: Intrinsic Robustness as an Emergent Geometric Property
Akash Samanta, Manish Pratap Singh and Debasis Chaudhuri
Standard supervised learning optimizes for predictive accuracy but remains agnostic to the internal geometry of learned features, often yielding representations that are entangled and brittle. We propose Class-Conditional Activation Regularization (CCAR) to explicitly engineer the feature space, imposing a block-diagonal structure via a soft inductive bias. By shaping the latent representation to confine class energy to orthogonal subspaces, we create an intrinsic
geometric scaffold that naturally filters noise and
adversarial perturbations. We provide theoretical analysis linking this structural constraint to the maximization of the Fisher Discriminant Ratio, establishing a formal connection between
geometric disentanglement and algorithmic stability. Empirically, this approach demonstrates that robustness is an emergent property of a well-engineered feature space, significantly outperforming baselines on label noise and input corruption
benchmarks.
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Machine Learning
Applications of deep generative models to DNA reaction kinetics and to cryogenic electron microscopy
Chenwei Zhang
This dissertation explores how deep generative models can advance the analysis of challenging biological problems by integrating domain knowledge with deep learning. It focuses on two areas: DNA reaction kinetics and cryogenic electron microscopy (cryo-EM). In the first part, we present ViDa, a biophysics-informed framework leveraging variational autoencoders (VAEs) and
geometric scattering transforms to generate biophysically-plausible
embeddings of DNA reaction kinetics simulations. These
embeddings are reduced to a two-dimensional space to visualize DNA hybridization and toehold-mediated strand displacement reactions. ViDa preserves structure and clusters trajectory ensembles into reaction pathways, making simulation results more interpretable and revealing new mechanistic insights. In the second part, we address key challenges in cryo-EM density map interpretation and
protein structure modeling. We provide a comprehensive review and benchmarking of deep learning methods for atomic model building, with improved evaluation metrics and practical guidance. We then present Struc2mapGAN, a generative
adversarial network that synthesizes high-fidelity experimental-like cryo-EM density maps from
protein structures. Finally, we present CryoSAMU, a structure-aware
multimodal U-Net that enhances intermediate-resolution cryo-EM maps by integrating density features with structural
embeddings from
protein language models via cross-
attention. Overall, these contributions demonstrate the potential of deep generative models to interpret DNA reaction mechanisms and advance cryo-EM density map analysis and
protein structure modeling.
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Machine Learning · Cross-listed from math.NA
Singularity Formation: Synergy in Theoretical, Numerical and Machine Learning Approaches
Yixuan Wang
This thesis develops numerical and theoretical approaches for understanding and analyzing singularity formation in Partial Differential Equations (PDEs). The singularity formation in the Navier-Stokes Equation (NSE) is famously challenging as one of the seven Clay Prize problems. Unlike simpler equations such as the Nonlinear Heat (NLH) or Keller-Segel (KS) equations, where formal asymptotics near blowup are better understood, the intrinsic complexity of NSE makes quantitative analytical treatment difficult, if not impossible, without numerical guidance. Building on numerical insights, we introduce a robust analytical framework to simplify and systematize pen-and-paper proofs for simpler singular PDEs. We present a novel approach based on enforcing vanishing modulation conditions for perturbations around approximate blowup profiles, complemented by singularly weighted energy estimates. We demonstrate the efficacy of our method on PDEs with complicated asymptotics, such as NLH and the Complex Ginzburg-Landau (CGL) equation, and address the open problem of singularity formation in the 3D KS equation with logistic damping. We develop and refine numerical approaches that facilitate deeper insights into singularity formation. We demonstrate that machine learning methods significantly enhance our capability to identify and characterize potential blowup solutions with high precision. We improve on existing Physics-Informed Neural Network (PINN) and Neural Operator (NO) frameworks. Moreover, we present a novel machine learning paradigm, the Kolmogorov-Arnold Network (KAN) architecture, whose interpretability and excellent scaling properties are achieved through learnable nonlinearities.
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Machine Learning · Cross-listed from cs.CV
When Earth Foundation Models Meet Diffusion: An Application to Land Surface Temperature Super-Resolution
Yiheng Chen, Zihui Ma, Peishi Jiang et al. (+6 more)
Land surface temperature (LST) super-resolution is important for environmental monitoring. However, it remains challenging as coarse thermal observations severely underdetermine fine-scale structure. In this paper, we propose Earth Foundation Model-guided
Diffusion (EFDiff), a novel framework for super-resolution under extreme spatial degradation. EFDiff uses the Prithvi-EO-2.0 Earth foundation model to encode high-resolution multispectral reflectance into geospatial
embeddings, which are injected into the denoising network via cross-
attention to guide fine-scale reconstruction from highly degraded observations. We study two variants, EFDiff-$\epsilon$ and EFDiff-$x_0$, which offer complementary trade-offs between perceptual realism and pixel-level fidelity. We evaluate EFDiff under an extreme $32\times$ scale gap using a globally diverse
benchmark comprising 242,416 co-registered Landsat thermal-reflectance patches. Results show that EFDiff consistently outperforms baseline methods and that cross-
attention conditioning by EFM is more effective than HLS channel concatenation. Although we present EFDiff in the context of LST super-resolution, the framework is broadly applicable to remote sensing problems in which pretrained geospatial representations can guide generative reconstruction.
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All authors Yiheng Chen, Zihui Ma, Peishi Jiang, Yilong Dai, Qikai Hu, Xinyue Ye, Lingyao Li, Rita Sousa, Runlong Yu
Machine Learning · Cross-listed from cs.CV
Lorentz Framework for Semantic Segmentation
Zahid Hasan, Masud Ahmed and Nirmalya Roy
Semantic
segmentation in
hyperbolic space enables compact modeling of hierarchical structure while providing inherent uncertainty quantification. Prior approaches predominantly rely on the Poincaré ball model, which suffers from numerical instability, optimization, and computational challenges. We propose a novel, tractable, architecture-agnostic semantic
segmentation framework (pixel-wise and mask classification) in the
hyperbolic Lorentz model. We employ text
embeddings with semantic and visual cues to guide hierarchical pixel-level representations in Lorentz space. This enables stable and efficient optimization without requiring a Riemannian optimizer, and easily integrates with existing Euclidean architectures. Beyond
segmentation, our approach yields free uncertainty estimation, confidence map, boundary delineation, hierarchical and text-based
retrieval, and zero-shot performance, reaching generalized flatter minima. We introduce a novel uncertainty and confidence indicator in Lorentz cone
embeddings. Further, we provide analytical and empirical insights into Lorentz optimization via gradient analysis. Extensive experiments on ADE20K, COCO-Stuff-164k, Pascal-VOC, and Cityscapes, utilizing state-of-the-art per-pixel classification models (DeepLabV3 and SegFormer) and mask classification models (mask2former and maskformer), validate the effectiveness and generality of our approach. Our results demonstrate the potential of
hyperbolic Lorentz
embeddings for robust and uncertainty-aware semantic
segmentation. Code is available at https://github.com/mxahan/Lorentz_semantic_
segmentation.
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Machine Learning · Cross-listed from q-fin.ST
The CTLNet for Shanghai Composite Index Prediction
Haibin Jiao
Shanghai Composite Index prediction has become a hot issue for many investors and academic researchers. Deep learning models are widely applied in multivariate time series
forecasting, including recurrent neural networks (RNN), convolutional neural networks (CNN), and
transformers. Specifically, the
Transformer encoder, with its unique
attention mechanism and parallel processing capabilities, has become an important tool in time series prediction, and has an advantage in dealing with long sequence dependencies and multivariate data correlations. Drawing on the strengths of various models, we propose the CNN-
Transformer-LSTM Networks (CTLNet). This paper explores the application of CTLNet for Shanghai Composite Index prediction and the comparative experiments show that the proposed model outperforms state-of-the-art baselines.
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Machine Learning · Cross-listed from cs.CR
Towards Deep Encrypted Training: Low-Latency, Memory-Efficient, and High-Throughput Inference for Privacy-Preserving Neural Networks
Nges Brian Njungle, Eric Jahns and Michel A. Kinsy
Privacy-preserving machine learning (PPML) has become increasingly important in applications where sensitive data must remain confidential. Homomorphic Encryption (HE) enables computation directly on encrypted data, allowing neural network inference without revealing raw inputs. While prior works have largely focused on inference over a single encrypted image, batch processing of encrypted inputs lags behind, despite being critical for high-throughput inference scenarios and training-oriented workloads. In this work, we address this gap by developing optimized
algorithms for batched HE-friendly neural networks. We also introduced a pipeline architecture designed to maximize resource efficiency for different batch size execution. We implemented these
algorithms and evaluated our work using HE-friendly ResNet-20 and ResNet-34 models on encrypted CIFAR-10 and CIFAR-100
datasets, respectively. For ResNet-20, our approach achieves an amortized inference time of 8.86 seconds per image when processing a batch of 512 encrypted images, with a peak
memory usage of 98.96 GB. These results represent a 1.78x runtime improvement and a 3.74x reduction in
memory usage compared to the state-of-the-art design. For the deeper ResNet-34 model, we achieve an amortized inference time of 28.14 on a batch of 256 encrypted images using 246.78GB of RAM
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Machine Learning
The Illusion of Certainty: Decoupling Capability and Calibration in On-Policy Distillation
Jiaxin Zhang, Xiangyu Peng, Qinglin Chen et al. (+3 more)
On-policy
distillation (OPD) is an increasingly important paradigm for post-training
language models. However, we identify a pervasive Scaling Law of Miscalibration: while OPD effectively improves task accuracy, it systematically traps models in severe overconfidence. We trace this failure to an information mismatch: teacher supervision is formed under privileged context available during training, whereas the deployed model must report confidence using only deployment-time information. We formalize this perspective theoretically, showing that teacher-conditioned success is generally not a valid target for deployment-time confidence and that helpful privileged context induces
entropy collapse and a systematic optimism bias. To address this, we propose a calibration-aware OPD framework, CaOPD, that estimates empirical confidence from model rollouts, replaces self-reported confidence with this student-grounded target, and distills the revised response through the same self-
distillation pipeline. Experiments across various models and domains show that CaOPD achieves Pareto-optimal calibration while maintaining competitive capability, generalizing robustly under out-of-distribution and continual learning. Our findings highlight that capability
distillation does not imply calibrated confidence, and that confidence should be treated as an essential objective in post-training. Code: https://github.com/SalesforceAIResearch/CaOPD
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All authors Jiaxin Zhang, Xiangyu Peng, Qinglin Chen, Qinyuan Ye, Caiming Xiong, Chien-Sheng Wu
Machine Learning
R&F-Inventory: A Large-Scale Dataset for Monotonic Inventory Estimation in Reach and Frequency Advertising
Yunshan Peng, Ji Wu, Wentao Bai et al. (+6 more)
Reach and Frequency (R&F) contract advertising is an important form of widely used brand advertising. Unlike performance advertising, R&F contracts emphasize controllable delivery of UV and PV under given targeting, scheduling, and frequency control constraints. In practical systems, advertisers typically need to view the UV, PV change curves at different budget levels in real time when creating an R&F contract. However, most existing publicly available advertising
datasets are based on independent samples, lacking a characterization of the core structure of the "budget-performance curve" (including UV and PV) in R&F contracts.This paper proposes and releases a large-scale R&F contract inventory estimation
dataset. This
dataset uses the R&F contract context consisting of "targeting-scheduling-frequency control" as the basic context, providing observations of UV and PV corresponding to multiple budget points within the same context, thus forming a complete budget-performance curve. The
dataset explicitly includes a time-window-based frequency control mechanism (e.g.,"no more than 3 times within 5 days") and naturally satisfies the monotonicity and diminishing marginal returns characteristics in the budget and scheduling dimensions. We further derive the theoretical maximum exposure ceiling and use it as a consistency check to evaluate data quality and the feasibility of model predictions. Using this data set, this paper defines two standardized
benchmark tasks: single-point performance prediction and reconstruction of budget-performance curves, and provides a set of reproducible baseline methods and evaluation protocols. This
dataset can support systematic research on problems such as structural constraint learning, monotonic regression, curve consistency modeling, and R&F contract planning.The code for our experiments can be found at https://github.com/pengyunshan/RF-Inventory.
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All authors Yunshan Peng, Ji Wu, Wentao Bai, Yunke Bai, Jinan Pang, Wenzheng Shu, Yanxiang Zeng, Xialong Liu, Peng Jiang
Machine Learning
Self-Reinforcing Controllable Synthesis of Rare Relational Data via Bayesian Calibration
Chongsheng Zhang, Hao Wang, Zelong Yu et al. (+7 more)
Imbalanced data are commonly present in real-world applications. While data synthesis can effectively mitigate data scarcity for rare classes, and LLMs have revolutionized text generation, the application of LLMs to the synthesis of relational/structured tabular data remains underexplored. Moreover, existing approaches lack an effective feedback mechanism to guide LLMs in continuously optimizing the quality of the generated data throughout the synthesis process. In this work, we propose RDDG, Relational Data generator with Dynamic Guidance, which is a unified in-context learning framework that employs progressive chain-of-thought (CoT) steps to generate tabular data for enhancing downstream imbalanced classification performance. RDDG first uses core set selection to identify representative samples from the original data, then utilizes in-context learning to discover the inherent patterns and correlations among attributes within the core set, and subsequently generates tabular data while preserving the aforementioned constraints. More importantly, it incorporates a self-reinforcing feedback mechanism that provides automatic assessments of the quality of the generated data, enabling continuous quality optimization throughout the generation process. Experimental results on multiple real and synthetic
datasets demonstrate that RDDG outperforms existing approaches in both data fidelity and downstream imbalanced classification performance. We make our code available at https://github.com/cszhangLMU/RDDG.
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All authors Chongsheng Zhang, Hao Wang, Zelong Yu, Esteban Garces Arias, Julian Rodemann, Zhanshuo Zhang, Qilong Li, Gaojuan Fan, Krikamol Muandet, Christian Heumann
Machine Learning · Cross-listed from quant-ph
Scalable Quantum Error Mitigation with Physically Informed Graph Neural Networks
Huaxin Wang, Xinge Wu, Jiajun Liu et al. (+4 more)
Quantum error mitigation (QEM) provides a practical route for estimating reliable observables on noisy intermediate-scale
quantum (NISQ) devices. Traditional QEM strategies, including zero-noise extrapolation (ZNE) and Clifford data regression (CDR), rely on noise scaling or global regression, and their performance is constrained by the exponential growth of the system degrees of freedom. We construct a graph-enhanced mitigation (GEM) framework, which incorporates physical information into the model representation. In this work,
quantum circuits are encoded as attributed graphs. Hardware-level physical information is mapped to node and edge features: local noise parameters such as calibration parameters $T_1$, $T_2$, and readout errors are encoded at nodes, while coupling-related information such as two-
qubit gate errors is encoded as edge features. Graph neural networks are used to model how errors propagate along the physical coupling structure and build up into non-local correlations. This allows the model to capture local interactions and part of the resulting non-local correlations across
qubits. A dual-branch affine correction is applied to maintain consistency with physical constraints. Experiments on 10-
qubit and 16-
qubit random
circuits executed on superconducting
quantum processors show that GEM provides a level of accuracy comparable to CDR at small scales, while yielding lower mean absolute error and improved stability in zero-shot transfer to larger systems. Results of the traditional QEM strategy indicate that global regression methods remain effective in low-dimensional settings but become less reliable as system degrees of freedom grow. In contrast, GEM makes use of local physical structures to show better scalability and generalization, while preserving the overall error propagation patterns. This work provides a practical scalable approach to QEM for NISQ devices.
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All authors Huaxin Wang, Xinge Wu, Jiajun Liu, Ruiqing He, Jiandong Shang, Hengliang Guo, Qiang Chen
Machine Learning · Cross-listed from stat.ML
A Mechanism Study of Delayed Loss Spikes in Batch-Normalized Linear Models
Peifeng Gao, Wenyi Fang, Yang Zheng et al. (+1 more)
Delayed loss spikes have been reported in neural-network training, but existing theory mainly explains earlier non-monotone behavior caused by overly large fixed learning rates. We study one stylized hypothesis: normalization can postpone instability by gradually increasing the effective learning rate during otherwise stable descent. To test this hypothesis at
theorem level, we analyze batch-normalized linear models. Our flagship result concerns whitened square-loss linear regression, where we derive explicit no-rising-edge and delayed-onset conditions, bound the waiting time to directional onset, and show that the rising edge self-stabilizes within finitely many iterations. Combined with a square-loss decomposition, this yields a concrete delayed-spike mechanism in the whitened regime. For logistic regression, under highly restrictive active-margin assumptions, we prove only a supporting finite-horizon directional precursor in a knife-edge regime, with an optional appendix-only loss lower bound under an extra non-degeneracy condition. The paper should therefore be read as a stylized mechanism study rather than a general explanation of neural-network loss spikes. Within that scope, the results isolate one concrete delayed-instability pathway induced by batch normalization.
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All authors Peifeng Gao, Wenyi Fang, Yang Zheng, Difan Zou
Machine Learning
AutoOR: Scalably Post-training LLMs to Autoformulate Operations Research Problems
Sumeet Ramesh Motwani, Chuan Du, Aleksander Petrov et al. (+4 more)
Optimization problems are central to decision-making in manufacturing, logistics, scheduling, and other industrial settings. Translating complicated descriptions of these problems into solver-ready formulations requires specialized operations research (OR) expertise, making it hard to scale. We present AutoOR, a scalable synthetic data generation and reinforcement learning pipeline that trains LLMs to autoformulate optimization problems specified in natural
language across linear, mixed-integer, and non-linear categories. AutoOR generates verified training data from standard optimization forms and uses solver execution feedback as the reward signal for RL post-training. AutoOR applied to an 8B model achieves state-of-the-art or competitive results across six established OR
benchmarks, matching significantly larger frontier models. For a non-linear problem class involving physical dynamics, where frontier models score near 0%, we introduce a curriculum RL strategy that bootstraps from limited initial training data to make this class tractable for post-training. We believe that methods such as AutoOR can significantly accelerate industrial decision-making with AI.
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All authors Sumeet Ramesh Motwani, Chuan Du, Aleksander Petrov, Christopher Davis, Philip Torr, Antonio Papania-Davis, Weishi Yan
Machine Learning
Continuous Limits of Coupled Flows in Representation Learning
Zilin Li, Weiwei Xu, Xuchun Tong et al. (+2 more)
While modern representation learning relies heavily on global error signals, decentralized
algorithms driven by local interactions offer a fundamental distributed alternative. However, the macroscopic convergence properties of these discrete dynamics on continuous data
manifolds remain theoretically unresolved, notoriously suffering from parameter explosion. We bridge this gap by formalizing decentralized learning as a coupled slow-fast dynamical system on Riemannian
manifolds. First, using measure-theoretic limits, we prove that the discrete spatial transitions converge uniformly to an overdamped Langevin
stochastic differential equation. Second, via the Itô-Poisson resolvent and a
stochastic extension of LaSalle's Invariance Principle, we establish that the representation weights unconditionally avoid divergence and align strictly with the principal eigenspace of the spatial measure. Finally, we construct a joint Lyapunov functional for the fully coupled spatial-parametric flow. This proves global dissipativity and demonstrates that orthogonally disentangled, linearly separable features emerge spontaneously at the stationary limit. Our framework bridges discrete
algorithms with continuous
stochastic analysis, providing a formal theoretical baseline for decentralized representation learning.
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All authors Zilin Li, Weiwei Xu, Xuchun Tong, Xuanbo Lu, Xuanqi Zhao
Machine Learning · Cross-listed from cs.CV
FairNVT: Fair Classification via Noise Injection in Vision Transformers
Qiaoyue Tang, Sepidehsadat Hosseini, Mengyao Zhai et al. (+2 more)
This paper presents FairNVT, a lightweight debiasing framework for pretrained
transformer-based encoders that improves prediction
fairness while preserving task performance. FairNVT is motivated by the intuition that reducing sensitive-attribute information in the representation used by the downstream classifier can facilitate fairer predictions. Our approach learns task-relevant and sensitive
embeddings via lightweight adapters, applies calibrated Gaussian noise to the sensitive
embedding, and fuses it with the task representation. Together with orthogonality constraints and
fairness regularization, these components jointly reduce sensitive-attribute leakage in the learned
embeddings and encourage fairer downstream predictions. Across three
datasets spanning
vision and
language, FairNVT reduces sensitive-attribute attacker accuracy, improves
fairness metrics such as demographic parity difference and equalized odds, and maintains competitive task performance.
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All authors Qiaoyue Tang, Sepidehsadat Hosseini, Mengyao Zhai, Thibaut Durand, Greg Mori
Machine Learning · Cross-listed from quant-ph
Q-SINDy: Quantum-Kernel Sparse Identification of Nonlinear Dynamics with Provable Coefficient Debiasing
Samrendra Roy and Syed Bahauddin Alam
Quantum feature maps offer expressive
embeddings for classical learning tasks, and augmenting sparse identification of nonlinear dynamics (SINDy) with such features is a natural but unexplored direction. We introduce Q-SINDy, a
quantum-kernel-augmented SINDy framework, and identify a specific failure mode that arises: coefficient cannibalization, in which
quantum features absorb coefficient mass that rightfully belongs to the
polynomial basis, corrupting equation recovery. We derive the exact cannibalization-bias formula $\Delta\xi_P = (P^\top P)^{-1}P^\top Q\,\hat\xi_Q$ and prove that orthogonalizing
quantum features against the
polynomial column space at fit time eliminates this bias exactly. The claim is verified numerically to machine precision ($<10^{-12}$) on multiple systems. Empirically, across six canonical dynamical systems (Duffing, Van der Pol, Lorenz, Lotka-Volterra, cubic oscillator, Rössler) and three
quantum feature map architectures (ZZ-angle encoding, IQP, data re-uploading), orthogonalized Q-SINDy consistently matches vanilla SINDy's structural recovery while uncorrected augmentation degrades true-positive rates by up to 100%. A refined dynamics-aware diagnostic, $R^2_Q$ for $\dot X$, predicts cannibalization severity with statistical significance (Pearson $r=0.70$, $p=0.023$). An RBF classical-kernel control across 20 hyperparameter configurations fails more severely than any
quantum variant, ruling out feature count as the cause. Orthogonalization remains robust under depolarizing hardware noise up to 2% per gate, and the framework extends without modification to Burgers' equation.
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Machine Learning
Federation over Text: Insight Sharing for Multi-Agent Reasoning
Dixi Yao, Tahseen Rabbani, Manzil Zaheer et al. (+1 more)
Modern
agents specialize in varying domains while there is no clear approach combining different domain skills. We propose a
federated learning-like framework, Federation over Text (FoT), that enables multiple clients solving different tasks to collectively generate a shared library of metacognitive insights by iteratively federating their local
reasoning processes without sharing actual problem instances. Instead of federation over gradients (e.g., as in distributed training), FoT operates at the semantic level without any gradient optimization or supervision signal. At each round, client LLM
agents independently apply arbitrary local
reasoning and self-improvement procedures to their own tasks and share the resulting
reasoning traces with a central server. The server then aggregates, distills, and consolidates knowledge across tasks and domains into a shared insight library, which can be reused by current and future
agents to improve their
reasoning. Experiments show that FoT improves
reasoning effectiveness and efficiency across real-world daily tasks, cross-domain collaboration, and research insight discovery, achieving an average performance gain of 11.9 absolute percentage points while reducing client-generated task-completion
tokens by 5.5%.
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All authors Dixi Yao, Tahseen Rabbani, Manzil Zaheer, Tian Li
Machine Learning
Representation Before Training: A Practical Benchmark for Generative Medical Event Model Tokenization
Inhyeok Lee, Luke Solo, Michael C. Burkhart et al. (+5 more)
Generative medical event models use tokenized sequences of patient timelines as input, but practical guidance on the many decisions around tokenization is limited. We
benchmark quantization granularity, reference-range anchoring, code–value fusion, numeric and temporal encodings, and native versus harmonized event representations from an expert-mapped common data model. Using both Llama and Qwen architectures, 156 models were trained on full hospitalizations from three initialization seeds, with each configuration following a shared training recipe for up to five epochs. We evaluated learned representations from the first 24 hours of hospitalization with linear probes to predict binary and continuous outcomes during hours 24-48. Fused
tokens pairing codes with value deciles increased performance across all eight outcome families relative to the equivalent unfused tokenized input with area under the receiver operating characteristic curve (AUROC) gains of $+0.002$ to $+0.033$ and Spearman correlation gains of $+0.025$ to $+0.114$. Neither anchoring value bins to reference ranges nor increasing quantization granularity consistently improved performance, while xVal variants underperformed both discrete and soft encodings. Alternatives to explicit time
tokens, such as event-order and admission-relative rotary position
embeddings (RoPE), yielded higher family-mean point estimates across all eight families while reducing input length. When evaluating native input against input mapped to the Common Longitudinal Intensive Care Unit Data Format (CLIF), the CLIF full-hospitalization training sequences contained 28.6% as many
tokens as the native sequences and improved performance across six of eight outcome families. These findings show that tokenization and event encoding are consequential design choices when learning patient representations for downstream classification and regression tasks.
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All authors Inhyeok Lee, Luke Solo, Michael C. Burkhart, Bashar Ramadan, Sahil Sethi, Sarah Jabbour, William F. Parker, Brett K. Beaulieu-Jones
Machine Learning
LLM-Extracted Covariates for Clinical Causal Inference: Rethinking Integration Strategies
Lei Liu, Jialin Chen and Kathy Macropol
Causal inference from electronic health records (EHR) is fundamentally limited by unmeasured confounding: critical clinical states such as frailty, goals of care, and mental status are documented in free-text notes but absent from structured data. Large
language models can extract these latent confounders as interpretable, structured
covariates, yet how to effectively integrate them into causal estimation pipelines has not been systematically studied. Using the MIMIC-IV database with 21,859 sepsis patients, we compare seven
covariate-integration strategies for estimating the effect of early vasopressor initiation on 28-day mortality, spanning tabular-only baselines, traditional NLP representations, and three LLM-augmented approaches. A central finding is that not all integration strategies are equally effective: directly augmenting the propensity score model with LLM
covariates achieves the best performance, while dual-caliper matching on text-derived categorical distances restricts the donor pool and degrades estimation. In semi-synthetic experiments with known ground-truth effects, LLM-augmented propensity scores reduce estimation bias from 0.0143 to 0.0003 relative to tabular-only methods, and this advantage persists under substantial simulated extraction error. On real data, incorporating LLM-extracted
covariates reduces the estimated treatment effect from 0.055 to 0.027, directionally consistent with the CLOVERS randomized trial, and a doubly robust
estimator yielding 0.031 confirms the robustness of this finding. Our results offer practical guidance on when and how text-derived
covariates improve causal estimation in critical care. Our code is available at https://github.com/fpxlei/LLM-
Covariates-Causal.
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Machine Learning · Cross-listed from cs.CV
Frozen Vision Transformers for Dense Prediction on Small Datasets: A Case Study in Arrow Localization
Maxwell Shepherd
We present a system for automated detection, localization, and scoring of arrow punctures on 40\,cm indoor archery target faces, trained on only 48 annotated photographs (5{,}084 punctures). Our pipeline combines three components: a color-based canonical rectification stage that maps perspective-distorted photographs into a standardized coordinate system where pixel distances correspond to known physical measurements; a frozen self-supervised
vision transformer (DINOv3 ViT-L/16) paired with AnyUp guided feature upsampling to recover sub-millimeter spatial precision from $32 \times 32$ patch
tokens; and lightweight CenterNet-style detection heads for arrow-center heatmap prediction. Only 3.8\,M of 308\,M total parameters are trainable. Across three cross-validation folds, we achieve a mean F1 score of $0.893 \pm 0.011$ and a mean localization error of $1.41 \pm 0.06$\,mm, comparable to or better than prior fully-supervised approaches that require substantially more training data. An ablation study shows that the CenterNet offset regression head, typically essential for sub-pixel refinement, provides negligible detection improvement while degrading localization in our setting. This suggests that guided feature upsampling already resolves the spatial precision lost through patch tokenization. On downstream archery metrics, the system recovers per-image average arrow scores with a median error of 1.8% and group centroid positions to within a median of 4.00\,mm. These results demonstrate that frozen foundation models with minimal task-specific adaptation offer a practical paradigm for dense prediction in small-data regimes.
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