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Flatness is Necessary, Neural Collapse is Not: Rethinking Generalization via Grokking

arXiv.org Artificial Intelligence

Neural collapse, i.e., the emergence of highly symmetric, class-wise clustered representations, is frequently observed in deep networks and is often assumed to reflect or enable generalization. In parallel, flatness of the loss landscape has been theoretically and empirically linked to generalization. Yet, the causal role of either phenomenon remains unclear: Are they prerequisites for generalization, or merely by-products of training dynamics? We disentangle these questions using grokking, a training regime in which memorization precedes generalization, allowing us to temporally separate generalization from training dynamics and we find that while both neural collapse and relative flatness emerge near the onset of generalization, only flatness consistently predicts it. Models encouraged to collapse or prevented from collapsing generalize equally well, whereas models regularized away from flat solutions exhibit delayed generalization, resembling grokking, even in architectures and datasets where it does not typically occur. Furthermore, we show theoretically that neural collapse leads to relative flatness under classical assumptions, explaining their empirical co-occurrence. Our results support the view that relative flatness is a potentially necessary and more fundamental property for generalization, and demonstrate how grokking can serve as a powerful probe for isolating its geometric underpinnings.


PolyJuice Makes It Real: Black-Box, Universal Red Teaming for Synthetic Image Detectors

arXiv.org Artificial Intelligence

Synthetic image detectors (SIDs) are a key defense against the risks posed by the growing realism of images from text-to-image (T2I) models. Red teaming improves SID's effectiveness by identifying and exploiting their failure modes via misclassified synthetic images. However, existing red-teaming solutions (i) require white-box access to SIDs, which is infeasible for proprietary state-of-the-art detectors, and (ii) generate image-specific attacks through expensive online optimization. To address these limitations, we propose PolyJuice, the first black-box, image-agnostic red-teaming method for SIDs, based on an observed distribution shift in the T2I latent space between samples correctly and incorrectly classified by the SID. PolyJuice generates attacks by (i) identifying the direction of this shift through a lightweight offline process that only requires black-box access to the SID, and (ii) exploiting this direction by universally steering all generated images towards the SID's failure modes. PolyJuice-steered T2I models are significantly more effective at deceiving SIDs (up to 84%) compared to their unsteered counterparts. We also show that the steering directions can be estimated efficiently at lower resolutions and transferred to higher resolutions using simple interpolation, reducing computational overhead. Finally, tuning SID models on PolyJuice-augmented datasets notably enhances the performance of the detectors (up to 30%).


ECG-Soup: Harnessing Multi-Layer Synergy for ECG Foundation Models

arXiv.org Artificial Intelligence

Cardiovascular disease (CVD) is the leading cause of death globally, accounting for 32% of all deaths according to The W orld Health Organization (WHO) statistics in 2019 [1]. With its non-invasive nature and ability to reflect the heart's electrical activity, the electrocardiogram is a key diagnostic tool in clinical practice [2], [3]. However, traditional ECG analysis is mainly based on human experts prone to errors and delays.


Quantum Temporal Fusion Transformer

arXiv.org Artificial Intelligence

The \textit{Temporal Fusion Transformer} (TFT), proposed by Lim \textit{et al.}, published in \textit{International Journal of Forecasting} (2021), is a state-of-the-art attention-based deep neural network architecture specifically designed for multi-horizon time series forecasting. It has demonstrated significant performance improvements over existing benchmarks. In this work, we introduce the Quantum Temporal Fusion Transformer (QTFT), a quantum-enhanced hybrid quantum-classical architecture that extends the capabilities of the classical TFT framework. The core idea of this work is inspired by the foundation studies, \textit{The Power of Quantum Neural Networks} by Amira Abbas \textit{et al.} and \textit{Quantum Vision Transformers} by El Amine Cherrat \textit{et al.}, published in \textit{ Nature Computational Science} (2021) and \textit{Quantum} (2024), respectively. A key advantage of our approach lies in its foundation on a variational quantum algorithm, enabling implementation on current noisy intermediate-scale quantum (NISQ) devices without strict requirements on the number of qubits or circuit depth. Our results demonstrate that QTFT is successfully trained on the forecasting datasets and is capable of accurately predicting future values. In particular, our experimental results on two different datasets display that the model outperforms its classical counterpart in terms of both training and test loss. These results indicate the prospect of using quantum computing to boost deep learning architectures in complex machine learning tasks.


SimuRA: A World-Model-Driven Simulative Reasoning Architecture for General Goal-Oriented Agents

arXiv.org Artificial Intelligence

AI agents built on foundation models hold enormous promise. Current practice, however, focuses on a one-task-one-agent approach, which not only falls short of scalability and generality, but also faces practical limitations from black-box autoregressive reasoning, where decisions unfold token by token without explicit simulation or counterfactual evaluation of outcomes. Humans, on the other hand, reason and plan by mentally simulating the consequences of actions within an internal model of the world -- a capability that supports flexible, goal-directed behavior across diverse contexts. Moving towards a more general and powerful AI agent, we introduce SimuRA, a goal-oriented architecture for generalized agentic reasoning. Based on a principled formulation of an optimal agent in any general environment, SimuRA addresses the limitations of black-box autoregressive reasoning by incorporating the world model for planning via simulation. Our prototype world model is implemented using LLMs as a substrate, leveraging the natural language as a discrete, hierarchical representation grounded in concepts for planning, while remaining model-agnostic. On complex web-browsing tasks such as flight search, SimuRA improves the success rate from 0% to 32.2% compared to a representative open-web agent baseline. Across tasks, world-model-based planning achieves up to 124% higher task completion rates than a matched black-box autoregressive baseline, demonstrating the advantages of simulative reasoning. We release ReasonerAgent-Web, a web-browsing agent built on SimuRA, as an open-source research demo.


Video-RTS: Rethinking Reinforcement Learning and Test-Time Scaling for Efficient and Enhanced Video Reasoning

arXiv.org Artificial Intelligence

Despite advances in reinforcement learning (RL)-based video reasoning with large language models (LLMs), data collection and fine-tuning remain significant challenges. These methods often rely on large-scale supervised fine-tuning (SFT) with extensive video data and long Chain-of-Thought (CoT) annotations, making them costly and hard to scale. To address this, we present Video-RTS, a new approach to improve video reasoning capability with drastically improved data efficiency by combining data-efficient RL with a video-adaptive test-time scaling (TTS) strategy. Building on observations about the data scaling, we skip the resource-intensive SFT step and employ efficient pure-RL training with output-based rewards, requiring no additional annotations or extensive fine-tuning. Furthermore, to utilize computational resources more efficiently, we introduce a sparse-to-dense video TTS strategy that improves inference by iteratively adding frames based on output consistency. We validate our approach on multiple video reasoning benchmarks, showing that Video-RTS surpasses existing video reasoning models by 2.4% in accuracy using only 3.6% training samples. Specifically, Video-RTS achieves a 4.2% improvement on Video-Holmes, a recent and challenging video reasoning benchmark. Notably, our pure RL training and adaptive video TTS offer complementary strengths, enabling Video-RTS's strong reasoning performance.


System-Embedded Diffusion Bridge Models

arXiv.org Artificial Intelligence

Solving inverse problems -- recovering signals from incomplete or noisy measurements -- is fundamental in science and engineering. Score-based generative models (SGMs) have recently emerged as a powerful framework for this task. Two main paradigms have formed: unsupervised approaches that adapt pretrained generative models to inverse problems, and supervised bridge methods that train stochastic processes conditioned on paired clean and corrupted data. While the former typically assume knowledge of the measurement model, the latter have largely overlooked this structural information. We introduce System embedded Diffusion Bridge Models (SDBs), a new class of supervised bridge methods that explicitly embed the known linear measurement system into the coefficients of a matrix-valued SDE. This principled integration yields consistent improvements across diverse linear inverse problems and demonstrates robust generalization under system misspecification between training and deployment, offering a promising solution to real-world applications.


A Gravity-informed Spatiotemporal Transformer for Human Activity Intensity Prediction

arXiv.org Artificial Intelligence

-- Human activity intensity prediction is crucial to many location - based services. Despite tremendous p rogress in modeling d ynamics of human activity, most existing methods overlook physical constraints of spatial interaction, leading to uninterpretable spatial correlations and over - smoothing phenomenon . To address these limitations, this work proposes a physics - informed deep learning framework, namely Gravity - informed Spatiotemporal Transformer (Gravityformer) by integrat ing the universal law of gravitation to refin e transformer attention. Specifically, it (1) estimates two spatially explicit mass parameters based on spatiotemporal embedding feature, (2) models the spatial interaction in end - to - end neural network using proposed adaptive gravity model to learn the physic al constrain t, and (3) utilizes the learned spatial interaction to guide and mitigate the over - smoothing phenomenon in transformer attention. Moreover, a parallel spatiotemporal graph convolution transformer is proposed for achieving a balance between coupled spatial and temporal learning. Systematic experiments on six real - world large - scale activity datasets demonstrate the quantitative and qualitative superiority of our model over state - of - the - art benchmarks. Additionally, the learned gravity attention matrix can be not only disentangled and interpreted based on geographical laws, but also improved the generalization in zero - shot cross - region inference . This work provides a novel insight into integrating physical laws with deep learning for spatiotemporal prediction . Index Terms -- Human activity intensity prediction; Gravity model; Spatial interaction; Physics - informed machine learning; Over - smoothing phenomenon; Spatiotemporal graph neural network . This work is supported by the National Natural Science Foundation of China ( Grant # 42430106, 42371468, 424B2013) . Y i Wang, Zhenghong Wang, Fan Zhang, Chengling Tang, Weiyu Zhang and Yu Liu are with Institute of Remote Sensing and Geographic Information System, School of Earth and Space Sciences, Peking University, Beijing 100871, China. Chaogui Kang is with National Engineering Research Center of Geographic Information System, China University of Geosciences (Wuhan) 430074, China. Sijie Ruan is with School of Computer Science and Technology, Beijing Institute of Technology, Beijing 100081, China . Di Zhu and Zhongfu Ma are with Department of Geography, Environment and Society, University of Minnesota, Twin Cities, Minneapolis, MN 55455, USA . Y u Zheng is with JD iCity, JD Technology, Beijing 100176, China . P hilip S. Yu is with Department of Computer Science, University of Illinois Chicago, Chicago 60607, USA .


Cascaded Language Models for Cost-effective Human-AI Decision-Making

arXiv.org Artificial Intelligence

A challenge in human-AI decision-making is to balance three factors: the correctness of predictions, the cost of knowledge and reasoning complexity, and the confidence about whether to abstain from automated answers or escalate to human experts. In this work, we present a cascaded LLM decision framework that adaptively delegates tasks across multiple tiers of expertise -- a base model for initial candidate answers, a more capable and knowledgeable (but costlier) large model, and a human expert for when the model cascade abstains. Our method proceeds in two stages. First, a deferral policy determines whether to accept the base model's answer or regenerate it with the large model based on the confidence score. Second, an abstention policy decides whether the cascade model response is sufficiently certain or requires human intervention. Moreover, to overcome static policies and accommodate changing task difficulty, we incorporate an online learning mechanism which uses human feedback. We demonstrate this approach to general question-answering (ARC-Easy, ARC-Challenge, and MMLU) and medical question-answering (MedQA and MedMCQA). Our results demonstrate that our cascaded strategy outperforms single-model baselines in most cases, achieving higher accuracy while reducing costs and providing a principled approach to handling abstentions.


ScoreMix: Synthetic Data Generation by Score Composition in Diffusion Models Improves Recognition

arXiv.org Artificial Intelligence

Synthetic data generation is increasingly used in machine learning for training and data augmentation. Yet, current strategies often rely on external foundation models or datasets, whose usage is restricted in many scenarios due to policy or legal constraints. We propose ScoreMix, a self-contained synthetic generation method to produce hard synthetic samples for recognition tasks by leveraging the score compositionality of diffusion models. The approach mixes class-conditioned scores along reverse diffusion trajectories, yielding domain-specific data augmentation without external resources. We systematically study class-selection strategies and find that mixing classes distant in the discriminator's embedding space yields larger gains, providing up to 3% additional average improvement, compared to selection based on proximity. Interestingly, we observe that condition and embedding spaces are largely uncorrelated under standard alignment metrics, and the generator's condition space has a negligible effect on downstream performance. Across 8 public face recognition benchmarks, ScoreMix improves accuracy by up to 7 percentage points, without hyperparameter search, highlighting both robustness and practicality. Our method provides a simple yet effective way to maximize discriminator performance using only the available dataset, without reliance on third-party resources. Paper website: https://parsa-ra.github.io/scoremix/.