Statistical Learning
PhysWorld: From Real Videos to World Models of Deformable Objects via Physics-Aware Demonstration Synthesis
Yang, Yu, Zhang, Zhilu, Zhang, Xiang, Zeng, Yihan, Li, Hui, Zuo, Wangmeng
Interactive world models that simulate object dynamics are crucial for robotics, VR, and AR. However, it remains a significant challenge to learn physics-consistent dynamics models from limited real-world video data, especially for deformable objects with spatially-varying physical properties. To overcome the challenge of data scarcity, we propose PhysWorld, a novel framework that utilizes a simulator to synthesize physically plausible and diverse demonstrations to learn efficient world models. Specifically, we first construct a physics-consistent digital twin within MPM simulator via constitutive model selection and global-to-local optimization of physical properties. Subsequently, we apply part-aware perturbations to the physical properties and generate various motion patterns for the digital twin, synthesizing extensive and diverse demonstrations. Finally, using these demonstrations, we train a lightweight GNN-based world model that is embedded with physical properties. The real video can be used to further refine the physical properties. PhysWorld achieves accurate and fast future predictions for various deformable objects, and also generalizes well to novel interactions. Experiments show that PhysWorld has competitive performance while enabling inference speeds 47 times faster than the recent state-of-the-art method, i.e., Phys-Twin.
SCORENF: Score-based Normalizing Flows for Sampling Unnormalized distributions
Unnormalized probability distributions are central to modeling complex physical systems across various scientific domains. Traditional sampling methods, such as Markov Chain Monte Carlo (MCMC), often suffer from slow convergence, critical slowing down, poor mode mixing, and high autocorrelation. In contrast, likelihood-based and adversarial machine learning models, though effective, are heavily data-driven, requiring large datasets and often encountering mode covering and mode collapse. In this work, we propose ScoreNF, a score-based learning framework built on the Normalizing Flow (NF) architecture, integrated with an Independent Metropolis-Hastings (IMH) module, enabling efficient and unbiased sampling from unnormalized target distributions. We show that ScoreNF maintains high performance even with small training ensembles, thereby reducing reliance on computationally expensive MCMC-generated training data. We also present a method for assessing mode-covering and mode-collapse behaviours. We validate our method on synthetic 2D distributions (MOG-4 and MOG-8) and the high-dimensional $ฯ^4$ lattice field theory distribution, demonstrating its effectiveness for sampling tasks.
CityAQVis: Integrated ML-Visualization Sandbox Tool for Pollutant Estimation in Urban Regions Using Multi-Source Data (Software Article)
Desai, Brij Bidhin, Rajapur, Yukta Arvind, Mundayatt, Aswathi, Sreevalsan-Nair, Jaya
Urban air pollution poses significant risks to public health, environmental sustainability, and policy planning. Effective air quality management requires predictive tools that can integrate diverse datasets and communicate complex spatial and temporal pollution patterns. There is a gap in interactive tools with seamless integration of forecasting and visualization of spatial distributions of air pollutant concentrations. We present CityAQVis, an interactive machine learning ML sandbox tool designed to predict and visualize pollutant concentrations at the ground level using multi-source data, which includes satellite observations, meteorological parameters, population density, elevation, and nighttime lights. While traditional air quality visualization tools often lack forecasting capabilities, CityAQVis enables users to build and compare predictive models, visualizing the model outputs and offering insights into pollution dynamics at the ground level. The pilot implementation of the tool is tested through case studies predicting nitrogen dioxide (NO2) concentrations in metropolitan regions, highlighting its adaptability to various pollutants. Through an intuitive graphical user interface (GUI), the user can perform comparative visualizations of the spatial distribution of surface-level pollutant concentration in two different urban scenarios. Our results highlight the potential of ML-driven visual analytics to improve situational awareness and support data-driven decision-making in air quality management.
SAMOSA: Sharpness Aware Minimization for Open Set Active learning
Kim, Young In, Agiollo, Andrea, Khanna, Rajiv
Modern machine learning solutions require extensive data collection where labeling remains costly. To reduce this burden, open set active learning approaches aim to select informative samples from a large pool of unlabeled data that includes irrelevant or unknown classes. In this context, we propose Sharpness Aware Minimization for Open Set Active Learning (SAMOSA) as an effective querying algorithm. Building on theoretical findings concerning the impact of data typicality on the generalization properties of traditional stochastic gradient descent (SGD) and sharpness-aware minimization (SAM), SAMOSA actively queries samples based on their typicality. SAMOSA effectively identifies atypical samples that belong to regions of the embedding manifold close to the model decision boundaries. Therefore, SAMOSA prioritizes the samples that are (i) highly informative for the targeted classes, and (ii) useful for distinguishing between targeted and unwanted classes. Extensive experiments show that SAMOSA achieves up to 3% accuracy improvement over the state of the art across several datasets, while not introducing computational overhead. The source code of our experiments is available at: https://anonymous.4open.science/r/samosa-DAF4
Doubly Robust Estimation of Causal Effects in Strategic Equilibrium Systems
We introduce the Strategic Doubly Robust (SDR) estimator, a novel framework that integrates strategic equilibrium modeling with doubly robust estimation for causal inference in strategic environments. SDR addresses endogenous treatment assignment arising from strategic agent behavior, maintaining double robustness while incorporating strategic considerations. Theoretical analysis confirms SDR's consistency and asymptotic normality under strategic unconfoundedness. Empirical evaluations demonstrate SDR's superior performance over baseline methods, achieving 7.6\%-29.3\% bias reduction across varying strategic strengths and maintaining robust scalability with agent populations. The framework provides a principled approach for reliable causal inference when agents respond strategically to interventions.
Flatness is Necessary, Neural Collapse is Not: Rethinking Generalization via Grokking
Han, Ting, Adilova, Linara, Petzka, Henning, Kleesiek, Jens, Kamp, Michael
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
Dehdashtian, Sepehr, Morshed, Mashrur M., Seidman, Jacob H., Bharaj, Gaurav, Boddeti, Vishnu Naresh
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%).
Cascaded Language Models for Cost-effective Human-AI Decision-Making
Fanconi, Claudio, van der Schaar, Mihaela
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.
Intrinsic Goals for Autonomous Agents: Model-Based Exploration in Virtual Zebrafish Predicts Ethological Behavior and Whole-Brain Dynamics
Keller, Reece, Kirsch, Alyn, Pei, Felix, Pitkow, Xaq, Kozachkov, Leo, Nayebi, Aran
Autonomy is a hallmark of animal intelligence, enabling adaptive and intelligent behavior in complex environments without relying on external reward or task structure. Existing reinforcement learning approaches to exploration in reward-free environments, including a class of methods known as model-based intrinsic motivation, exhibit inconsistent exploration patterns and do not converge to an exploratory policy, thus failing to capture robust autonomous behaviors observed in animals. Moreover, systems neuroscience has largely overlooked the neural basis of autonomy, focusing instead on experimental paradigms where animals are motivated by external reward rather than engaging in ethological, naturalistic and task-independent behavior. To bridge these gaps, we introduce a novel model-based intrinsic drive explicitly designed after the principles of autonomous exploration in animals. Our method (3M-Progress) achieves animal-like exploration by tracking divergence between an online world model and a fixed prior learned from an ecological niche. To the best of our knowledge, we introduce the first autonomous embodied agent that predicts brain data entirely from self-supervised optimization of an intrinsic goal -- without any behavioral or neural training data -- demonstrating that 3M-Progress agents capture the explainable variance in behavioral patterns and whole-brain neural-glial dynamics recorded from autonomously behaving larval zebrafish, thereby providing the first goal-driven, population-level model of neural-glial computation. Our findings establish a computational framework connecting model-based intrinsic motivation to naturalistic behavior, providing a foundation for building artificial agents with animal-like autonomy.
LCDB 1.1: A Database Illustrating Learning Curves Are More Ill-Behaved Than Previously Thought
Yan, Cheng, Mohr, Felix, Viering, Tom
Sample-wise learning curves plot performance versus training set size. They are useful for studying scaling laws and speeding up hyperparameter tuning and model selection. Learning curves are often assumed to be well-behaved: monotone (i.e. improving with more data) and convex. By constructing the Learning Curves Database 1.1 (LCDB 1.1), a large-scale database with high-resolution learning curves including more modern learners (CatBoost, TabNet, RealMLP and TabPFN), we show that learning curves are less often well-behaved than previously thought. Using statistically rigorous methods, we observe significant ill-behavior in approximately 15% of the learning curves, almost twice as much as in previous estimates. We also identify which learners are to blame and show that specific learners are more ill-behaved than others. Additionally, we demonstrate that different feature scalings rarely resolve ill-behavior. We evaluate the impact of ill-behavior on downstream tasks, such as learning curve fitting and model selection, and find it poses significant challenges, underscoring the relevance and potential of LCDB 1.1 as a challenging benchmark for future research.