Daily Papers

Time series clustering promises to uncover hidden structural patterns in data with applications across healthcare, finance, industrial systems, and other critical domains. However, without validated ground truth information, researchers cannot objectively assess clustering quality or determine whether poor results stem from absent structures in the data, algorithmic limitations, or inappropriate validation methods, raising the question whether clustering is "more art than science" (Guyon et al., 2009). To address these challenges, we introduce CSTS (Correlation Structures in Time Series), a synthetic benchmark for evaluating the discovery of correlation structures in multivariate time series data. CSTS provides a clean benchmark that enables researchers to isolate and identify specific causes of clustering failures by differentiating between correlation structure deterioration and limitations of clustering algorithms and validation methods. Our contributions are: (1) a comprehensive benchmark for correlation structure discovery with distinct correlation structures, systematically varied data conditions, established performance thresholds, and recommended evaluation protocols; (2) empirical validation of correlation structure preservation showing moderate distortion from downsampling and minimal effects from distribution shifts and sparsification; and (3) an extensible data generation framework enabling structure-first clustering evaluation. A case study demonstrates CSTS's practical utility by identifying an algorithm's previously undocumented sensitivity to non-normal distributions, illustrating how the benchmark enables precise diagnosis of methodological limitations. CSTS advances rigorous evaluation standards for correlation-based time series clustering.

LLMs have shown strong performance across diverse financial tasks, yet portfolio management (PM), a critical financial decision-making task, remains poorly benchmarked. Existing benchmarks exhibit two main gaps: they ignore cross-asset correlation structures, thereby failing to distinguish genuinely diversified portfolios from concentrated ones, and fail to evaluate the complete PM decision pipeline in real-world scenarios. We introduce PortBench, a benchmark spanning six heterogeneous asset classes over ten years. PortBench consists of two complementary layers: a static QA dataset of 6,269 correlation-based questions across seven task templates, and a dynamic five-stage allocation pipeline that mirrors the full PM decision cycle. To evaluate these layers, we introduce two dedicated metrics: a dual-layer correlation score that measures whether proposed portfolios exploit inter-class hedging and avoid intra-class concentration, and CEPS, a metric that quantifies how reasoning errors compound across pipeline stages. We further assess strategy robustness and investor alignment under three historical stress regimes and risk profiles. Evaluating ten frontier LLMs, we find that despite strong performance on static financial QA, 90\% of model-profile combinations fail to outperform a basic equal-weight allocation, and models that satisfy every procedural constraint still suffer catastrophic drawdowns under stress. Our source code is available at https://github.com/AgenticFinLab/portbench{this https URL}.

Text-to-image models produce images that align well with natural language prompts, but compositional generation has long been a central challenge. Models often struggle to satisfy multiple concepts within a single prompt, frequently omitting some concepts and resulting in partial success. Such failures highlight the difficulty of jointly optimizing multiple concepts during reward optimization, where competing concepts can interfere with one another. To address this limitation, we propose Correlation-Weighted Multi-Reward Optimization (\ours), a framework that leverages the correlation structure among concept rewards to adaptively weight each attribute concept in optimization. By accounting for interactions among concepts, \ours balances competing reward signals and emphasizes concepts that are partially satisfied yet inconsistently generated across samples, improving compositional generation. Specifically, we decompose multi-concept prompts into pre-defined concept groups (\eg, objects, attributes, and relations) and obtain reward signals from dedicated reward models for each concept. We then adaptively reweight these rewards, assigning higher weights to conflicting or hard-to-satisfy concepts using correlation-based difficulty estimation. By focusing optimization on the most challenging concepts within each group, \ours encourages the model to consistently satisfy all requested attributes simultaneously. We apply our approach to train state-of-the-art diffusion models, SD3.5 and FLUX.1-dev, and demonstrate consistent improvements on challenging multi-concept benchmarks, including ConceptMix, GenEval 2, and T2I-CompBench.

The generalization performance of a machine learning algorithm such as a neural network depends in a non-trivial way on the structure of the data distribution. To analyze the influence of data structure on test loss dynamics, we study an exactly solveable model of stochastic gradient descent (SGD) on mean square loss which predicts test loss when training on features with arbitrary covariance structure. We solve the theory exactly for both Gaussian features and arbitrary features and we show that the simpler Gaussian model accurately predicts test loss of nonlinear random-feature models and deep neural networks trained with SGD on real datasets such as MNIST and CIFAR-10. We show that the optimal batch size at a fixed compute budget is typically small and depends on the feature correlation structure, demonstrating the computational benefits of SGD with small batch sizes. Lastly, we extend our theory to the more usual setting of stochastic gradient descent on a fixed subsampled training set, showing that both training and test error can be accurately predicted in our framework on real data.

We introduce Rank-Then-Act (RTA), a framework for learning control policies from expert video demonstrations without environment rewards. RTA trains a Vision-Language Model (VLM) offline as a progress-based ordinal scorer, using a Group Relative Policy Optimization (GRPO) objective over shuffled frame sequences, which forces the model to recover temporal ordering from visual semantics rather than trivial time cues. Importantly, instead of using the scorer directly as a scalar reward model, we propose a correlation-based reward function for reinforcement learning: at each interaction window, we compute the Spearman rank correlation between predicted progress rankings and true temporal indices, yielding a bounded, scale-invariant learning signal. This design decouples reward learning from absolute calibration and enables stable transfer across tasks and environments. We evaluate RTA on discrete control benchmarks (PyBoy: Catrap, Kirby) and continuous control tasks (PointMaze, MetaWorld). RTA consistently matches or outperforms prior video-based reward learning methods and rank-based baselines, while demonstrating strong cross-task reuse of a single pretrained progress scorer. Our results suggest that correlation-structured supervision over video-derived ordinal signals is sufficient for policy learning, offering a scalable alternative to explicit reward design.

Models of neural responses to stimuli with complex spatiotemporal correlation structure often assume that neurons are only selective for a small number of linear projections of a potentially high-dimensional input. Here we explore recent modeling approaches where the neural response depends on the quadratic form of the input rather than on its linear projection, that is, the neuron is sensitive to the local covariance structure of the signal preceding the spike. To infer this quadratic dependence in the presence of arbitrary (e.g. naturalistic) stimulus distribution, we review several inference methods, focussing in particular on two information-theory-based approaches (maximization of stimulus energy or of noise entropy) and a likelihood-based approach (Bayesian spike-triggered covariance, extensions of generalized linear models). We analyze the formal connection between the likelihood-based and information-based approaches to show how they lead to consistent inference. We demonstrate the practical feasibility of these procedures by using model neurons responding to a flickering variance stimulus.

Human motion forecasters are increasingly accurate and fast, but reliable deployment requires uncertainty estimates that are structured, calibrated, and efficient. Bayesian and ensemble-based uncertainty estimates often require repeated stochastic inference [15, 26], while conformal calibration alone does not provide an epistemic signal or preserve trajectory covariance structure [14, 50]. We introduce SPARC (Single-Pass Adaptive Risk Calibration), a Bayesian-conformal uncertainty layer for motion forecasting. A deterministic MLP backbone predicts the future mean, and a conjugate Bayesian last layer converts time-domain feature leverage into an analytic horizon-wise epistemic scale κ_t(x). This scale inflates a graph-temporal Gaussian covariance without changing its correlation structure, and split conformal calibration produces 95% marginal prediction tubes with finite-sample validity under exchangeability. The key interface is the structured factorization κ_t(x)Σ_{str,t}(x), which injects feature-space epistemic uncertainty into trajectory densities without Monte Carlo sampling. Across nine dataset-protocol blocks and deterministic, multimodal, and calibration baselines, SPARC ranks first on NLL and on the combined MPJPE+NLL criterion while retaining competitive point accuracy and efficient calibrated tubes. Ranking windows by κ separates high-error cases, making the scale usable as a lightweight risk monitor.

Synthesizing novel views from a single input image is a challenging task. It requires extrapolating the 3D structure of a scene while inferring details in occluded regions, and maintaining geometric consistency across viewpoints. Many existing methods must fine-tune large diffusion backbones using multiple views or train a diffusion model from scratch, which is extremely expensive. Additionally, they suffer from blurry reconstruction and poor generalization. This gap presents the opportunity to explore an explicit lightweight view translation framework that can directly utilize the high-fidelity generative capabilities of a pretrained diffusion model while reconstructing a scene from a novel view. Given the DDIM-inverted latent of a single input image, we employ a camera pose-conditioned translation U-Net, TUNet, to predict the inverted latent corresponding to the desired target view. However, the image sampled using the predicted latent may result in a blurry reconstruction. To this end, we propose a novel fusion strategy that exploits the inherent noise correlation structure observed in DDIM inversion. The proposed fusion strategy helps preserve the texture and fine-grained details. To synthesize the novel view, we use the fused latent as the initial condition for DDIM sampling, leveraging the generative prior of the pretrained diffusion model. Extensive experiments on MVImgNet demonstrate that our method outperforms existing methods.

Large language models have demonstrated predictable scaling behaviors with respect to model parameters and training data. This study investigates whether a similar scaling relationship exist for vision-language models with respect to the number of vision tokens. A mathematical framework is developed to characterize a relationship between vision token number and the expected divergence of distance between vision-referencing sequences. The theoretical analysis reveals two distinct scaling regimes: sublinear scaling for less vision tokens and linear scaling for more vision tokens. This aligns with model performance relationships of the form \(S(n) \approx c / n^{α(n)}\), where the scaling exponent relates to the correlation structure between vision token representations. Empirical validations across multiple vision-language benchmarks show that model performance matches the prediction from scaling relationship. The findings contribute to understanding vision token scaling in transformers through a theoretical framework that complements empirical observations.

Many recent multivariate time series anomaly detection (MTSAD) models incorporate cross-channel modeling, under the implicit assumption that the structure of anomalies may be spread across multiple channels. We evaluate this assumption on eight widely used public benchmarks by introducing a per-segment diagnostic framework that flags, for each labeled anomaly, whether at least one channel deviates individually from its normal history, whether the cross-channel correlation structure changes, or both. The framework shows that no cross-channel rupture occurs without an accompanying univariate deviation across a range of reasonable thresholds. A complementary metric also reveals that on six of the eight benchmarks, at least half of the labeled anomaly segments deviate univariately on 89% to 100% of their timesteps, reaching 100% on three of these datasets. To verify that our framework captures cross-channel structure when present, we construct synthetic data of phase-shifted sinusoidal channels with shared noise. Each anomalous segment is altered through one of two channel-wise corruptions that preserve the per-channel marginal distribution while breaking cross-channel structure, and our framework correctly characterizes these segments as cross-channel-only. On these data, channel-dependent (CD) models successfully exploit the cross-channel signal whereas channel-independent (CI) ones fail. The CI/CD comparison of a recent SOTA detector on real benchmarks further confirms that CD modeling brings no measurable gain. We conclude that current MTSAD benchmarks are unsuitable for validating cross-channel modeling capabilities, and we call for the development of more structurally diverse evaluation sets. The code for this study is publicly available.

Redundancies and correlations in the responses of sensory neurons seem to waste neural resources but can carry cues about structured stimuli and may help the brain to correct for response errors. To assess how the retina negotiates this tradeoff, we measured simultaneous responses from populations of ganglion cells presented with natural and artificial stimuli that varied greatly in correlation structure. We found that pairwise correlations in the retinal output remained similar across stimuli with widely different spatio-temporal correlations including white noise and natural movies. Meanwhile, purely spatial correlations tended to increase correlations in the retinal response. Responding to more correlated stimuli, ganglion cells had faster temporal kernels and tended to have stronger surrounds. These properties of individual cells, along with gain changes that opposed changes in effective contrast at the ganglion cell input, largely explained the similarity of pairwise correlations across stimuli where receptive field measurements were possible.

Silicon samples are increasingly used as a low-cost substitute for human panels and have been shown to reproduce aggregate human opinion with high fidelity. We show that, in the alignment-relevant domain of philosophy, silicon samples systematically collapse heterogeneity. Using data from N = {277} professional philosophers drawn from PhilPeople profiles, we evaluate seven proprietary and open-source large language models on their ability to replicate individual philosophical positions and to preserve cross-question correlation structures across philosophical domains. We find that language models substantially over-correlate philosophical judgments, producing artificial consensus across domains. This collapse is associated in part with specialist effects, whereby models implicitly assume that domain specialists hold highly similar philosophical views. We assess the robustness of these findings by studying the impact of DPO fine-tuning and by validating results against the full PhilPapers 2020 Survey (N = {1785}). We conclude by discussing implications for alignment, evaluation, and the use of silicon samples as substitutes for human judgment. The code of this project can be found at https://github.com/stanford-del/silicon-philosophers.

There will be a paradigm shift in chemical and biological research, to be enabled by autonomous, closed-loop, real-time self-directed decision-making experimentation. Spectrum-to-structure correlation, which is to elucidate molecular structures with spectral information, is the core step in understanding the experimental results and to close the loop. However, current approaches usually divide the task into either database-dependent retrieval and database-independent generation and neglect the inherent complementarity between them. In this study, we proposed Vib2Mol, a general deep learning model designed to flexibly handle diverse spectrum-to-structure tasks according to the available prior knowledge by bridging the retrieval and generation. It achieves state-of-the-art performance, even for the most demanding Raman spectra, over previous models in predicting reaction products and sequencing peptides as well as analyzing experimental spectra and integrating multi-modal spectral data. Vib2Mol enables vibrational spectroscopy a real-time guide for autonomous scientific discovery workflows.

Topological aspects of the geometry of DNA and similar chiral molecules have received a lot of attention, while the topology of their electronic structure is less explored. Previous experiments have revealed that DNA can efficiently filter spin-polarized electrons between metal contacts, a process called chiral-induced spin-selectivity (CISS). However, the underlying correlation between chiral structure and electronic spin remains elusive. In this work, we reveal an orbital texture in the band structure, a topological characteristic induced by the chirality. We find that this orbital texture enables the chiral molecule to polarize the quantum orbital. This orbital polarization effect (OPE) induces spin polarization assisted by the spin-orbit interaction from a metal contact and leads to magnetorestistance and chiral separation. The orbital angular momentum of photoelectrons also plays an essential role in related photoemission experiments. Beyond CISS, we predict that OPE can induce spin-selective phenomena even in achiral but inversion-breaking materials.

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically transformed into a one-electron reduced-density-matrix (1-RDM) functional theory, which can address the limitations of DFT while retaining favorable computational scaling compared to wavefunction-based approaches. In addition to relaxing the idempotency restriction on the 1-RDM in the kinetic energy term, we add a quadratic 1-RDM-based term to DFT's density-based exchange-correlation functional. Our approach, which we implement by quadratic semidefinite programming at DFT's computational scaling of O(r^{3}), yields substantial improvements over traditional DFT in the description of static correlation in chemical structures and processes such as singlet biradicals and bond dissociations.

Predictive modeling over relational databases (RDBs) powers applications, yet remains challenging due to capturing both cross-table dependencies and complex feature interactions. Relational Deep Learning (RDL) methods automate feature engineering via message passing, while classical approaches like Deep Feature Synthesis (DFS) rely on predefined non-parametric aggregators. Despite performance gains, the comparative advantages of RDL over DFS and the design principles for selecting effective architectures remain poorly understood. We present a comprehensive study that unifies RDL and DFS in a shared design space and conducts architecture-centric searches across diverse RDB tasks. Our analysis yields three key findings: (1) RDL does not consistently outperform DFS, with performance being highly task-dependent; (2) no single architecture dominates across tasks, underscoring the need for task-aware model selection; and (3) validation accuracy is an unreliable guide for architecture choice. This search yields a model performance bank that links architecture configurations to their performance; leveraging this bank, we analyze the drivers of the RDL-DFS performance gap and introduce two task signals -- RDB task homophily and an affinity embedding that captures size, path, feature, and temporal structure -- whose correlation with the gap enables principled routing. Guided by these signals, we propose Relatron, a task embedding-based meta-selector that chooses between RDL and DFS and prunes the within-family search. Lightweight loss-landscape metrics further guard against brittle checkpoints by preferring flatter optima. In experiments, Relatron resolves the "more tuning, worse performance" effect and, in joint hyperparameter-architecture optimization, achieves up to 18.5% improvement over strong baselines with 10x lower cost than Fisher information-based alternatives.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

Large language models (LLMs) have achieved remarkable progress in natural language generation, yet they continue to display puzzling behaviors -- such as repetition and incoherence -- even when exhibiting low perplexity. This highlights a key limitation of conventional evaluation metrics, which emphasize local prediction accuracy while overlooking long-range structural complexity. We introduce correlation dimension, a fractal-geometric measure of self-similarity, to quantify the epistemological complexity of text as perceived by a language model. This measure captures the hierarchical recurrence structure of language, bridging local and global properties in a unified framework. Through extensive experiments, we show that correlation dimension (1) reveals three distinct phases during pretraining, (2) reflects context-dependent complexity, (3) indicates a model's tendency toward hallucination, and (4) reliably detects multiple forms of degeneration in generated text. The method is computationally efficient, robust to model quantization (down to 4-bit precision), broadly applicable across autoregressive architectures (e.g., Transformer and Mamba), and provides fresh insight into the generative dynamics of LLMs.

Generating realistic human motion is a central yet unsolved challenge in video generation. While reinforcement learning (RL)-based post-training has driven recent gains in general video quality, extending it to human motion remains bottlenecked by a reward signal that cannot reliably score motion realism. Existing video rewards primarily rely on 2D perceptual signals, without explicitly modeling the 3D body state, contact, and dynamics underlying articulated human motion, and often assign high scores to videos with floating bodies or physically implausible movements. To address this, we propose PhyMotion, a structured, fine-grained motion reward that grounds recovered 3D human trajectories in a physics simulator and evaluates motion quality along multiple dimensions of physical feasibility. Concretely, we recover SMPL body meshes from generated videos, retarget them onto a humanoid in the MuJoCo physics simulator, and evaluate the resulting motion along three axes: kinematic plausibility, contact and balance consistency, and dynamic feasibility. Each component provides a continuous and interpretable signal tied to a specific aspect of motion quality, allowing the reward to capture which aspects of motion are physically correct or violated. Experiments show that PhyMotion achieves stronger correlation with human judgments than existing reward formulations. These gains carry over to RL-based post-training, where optimizing PhyMotion leads to larger and more consistent improvements than optimizing existing rewards, improving motion realism across both autoregressive and bidirectional video generators under both automatic metrics and blind human evaluation (+68 Elo gain). Ablations show that the three axes provide complementary supervision signals, while the reward preserves overall video generation quality with only modest training overhead.

Attention Deficit Hyperactive Disorder (ADHD) is a common behavioral problem affecting children. In this work, we investigate the automatic classification of ADHD subjects using the resting state Functional Magnetic Resonance Imaging (fMRI) sequences of the brain. We show that the brain can be modeled as a functional network, and certain properties of the networks differ in ADHD subjects from control subjects. We compute the pairwise correlation of brain voxels' activity over the time frame of the experimental protocol which helps to model the function of a brain as a network. Different network features are computed for each of the voxels constructing the network. The concatenation of the network features of all the voxels in a brain serves as the feature vector. Feature vectors from a set of subjects are then used to train a PCA-LDA (principal component analysis-linear discriminant analysis) based classifier. We hypothesized that ADHD-related differences lie in some specific regions of the brain and using features only from those regions is sufficient to discriminate ADHD and control subjects. We propose a method to create a brain mask that includes the useful regions only and demonstrate that using the feature from the masked regions improves classification accuracy on the test data set. We train our classifier with 776 subjects and test on 171 subjects provided by The Neuro Bureau for the ADHD-200 challenge. We demonstrate the utility of graph-motif features, specifically the maps that represent the frequency of participation of voxels in network cycles of length 3. The best classification performance (69.59%) is achieved using 3-cycle map features with masking. Our proposed approach holds promise in being able to diagnose and understand the disorder.

Establishing dense correspondence between two images is a fundamental computer vision problem, which is typically tackled by matching local feature descriptors. However, without global awareness, such local features are often insufficient for disambiguating similar regions. And computing the pairwise feature correlation across images is both computation-expensive and memory-intensive. To make the local features aware of the global context and improve their matching accuracy, we introduce DenseGAP, a new solution for efficient Dense correspondence learning with a Graph-structured neural network conditioned on Anchor Points. Specifically, we first propose a graph structure that utilizes anchor points to provide sparse but reliable prior on inter- and intra-image context and propagates them to all image points via directed edges. We also design a graph-structured network to broadcast multi-level contexts via light-weighted message-passing layers and generate high-resolution feature maps at low memory cost. Finally, based on the predicted feature maps, we introduce a coarse-to-fine framework for accurate correspondence prediction using cycle consistency. Our feature descriptors capture both local and global information, thus enabling a continuous feature field for querying arbitrary points at high resolution. Through comprehensive ablative experiments and evaluations on large-scale indoor and outdoor datasets, we demonstrate that our method advances the state-of-the-art of correspondence learning on most benchmarks.

Very High Resolution (VHR) forest structure data at individual-tree scale is essential for carbon, biodiversity, and ecosystem monitoring. Still, airborne LiDAR remains costly and infrequent despite being the reference for forest structure metrics like Canopy Height Model (CHM), Plant Area Index (PAI), and Foliage Height Diversity (FHD). We propose FSKD: a LiDAR-to-RGB-Infrared (RGBI) knowledge distillation (KD) framework in which a multi-modal teacher fuses RGBI imagery with LiDAR-derived planar metrics and vertical profiles via cross-attention, and an RGBI-only SegFormer student learns to reproduce these outputs. Trained on 384 km^2 of forests in Saxony, Germany (20 cm ground sampling distance (GSD)) and evaluated on eight geographically distinct test tiles, the student achieves state-of-the-art (SOTA) zero-shot CHM performance (MedAE 4.17 m, R^2=0.51, IoU 0.87), outperforming HRCHM/DAC baselines by 29--46% in MAE (5.81 m vs. 8.14--10.84 m) with stronger correlation coefficients (0.713 vs. 0.166--0.652). Ablations show that multi-modal fusion improves performance by 10--26% over RGBI-only training, and that asymmetric distillation with appropriate model capacity is critical. The method jointly predicts CHM, PAI, and FHD, a multi-metric capability not provided by current monocular CHM estimators, although PAI/FHD transfer remains region-dependent and benefits from local calibration. The framework also remains effective under temporal mismatch (winter LiDAR, summer RGBI), removing strict co-acquisition constraints and enabling scalable 20 cm operational monitoring for workflows such as Digital Twin Germany and national Digital Orthophoto programs.

Trajectories in complex systems often contain structure that is not captured by the population-averaged, scalar statistics traditionally used to describe them. Here we reconstruct, through independent numerical re-simulation rather than literature review, a systematic search across representational forms - from single scalar statistics, through two independent discrete multi-feature classification attempts, to a trajectory-level structural representation and a diagnostic surrogate test, to a continuous low-dimensional compression - applied to the same underlying trajectory ensemble in a critical complex system. Predictive failure is not explained by insufficient correlation: one discrete representation's own strongest individual feature correlates with the target more strongly (r=0.588) than the eventual successful representation's own headline statistic (r=0.540), yet fails to separate the ensemble's two most consequential cases - while the continuous representation succeeds, robustly, across eight independent scale-removal folds (r=0.677-0.717, all p<0.001). The determining factor was not correlation strength but whether the representation preserved the structure relevant to prediction. These results indicate that the choice of representation determines whether predictive structure in complex systems becomes accessible - a scientific variable in its own right, not a downstream analysis choice.

Structured pruning is essential for efficient deployment of Large Language Models (LLMs). The varying sensitivity of LLM sub-blocks to pruning necessitates the identification of optimal non-uniformly pruned models. Existing methods evaluate the importance of layers, attention heads, or weight channels in isolation. Such localized focus ignores the complex global structural dependencies that exist across the model. Training-aware structured pruning addresses global dependencies, but its computational cost can be just as expensive as post-pruning training. To alleviate the computational burden of training-aware pruning and capture global structural dependencies, we propose TraceNAS, a training-free Neural Architecture Search (NAS) framework that jointly explores structured pruning of LLM depth and width. TraceNAS identifies pruned models that maintain a high degree of loss landscape alignment with the pretrained model using a scale-invariant zero-shot proxy, effectively selecting models that exhibit maximal performance potential during post-pruning training. TraceNAS is highly efficient, enabling high-fidelity discovery of pruned models on a single GPU in 8.5 hours, yielding a 10times reduction in GPU-hours compared to training-aware methods. Evaluations on the Llama and Qwen families demonstrate that TraceNAS is competitive with training-aware baselines across commonsense and reasoning benchmarks.

Humans recognize anomalies through two aspects: larger patch-wise representation discrepancies and weaker patch-to-normal-patch correlations. However, the previous AD methods didn't sufficiently combine the two complementary aspects to design AD models. To this end, we find that Transformer can ideally satisfy the two aspects as its great power in the unified modeling of patch-wise representations and patch-to-patch correlations. In this paper, we propose a novel AD framework: FOcus-the-Discrepancy (FOD), which can simultaneously spot the patch-wise, intra- and inter-discrepancies of anomalies. The major characteristic of our method is that we renovate the self-attention maps in transformers to Intra-Inter-Correlation (I2Correlation). The I2Correlation contains a two-branch structure to first explicitly establish intra- and inter-image correlations, and then fuses the features of two-branch to spotlight the abnormal patterns. To learn the intra- and inter-correlations adaptively, we propose the RBF-kernel-based target-correlations as learning targets for self-supervised learning. Besides, we introduce an entropy constraint strategy to solve the mode collapse issue in optimization and further amplify the normal-abnormal distinguishability. Extensive experiments on three unsupervised real-world AD benchmarks show the superior performance of our approach. Code will be available at https://github.com/xcyao00/FOD.

We investigate whether Alfv\'enic fluctuations (AFs) can affect the structure of magnetic ejecta (MEs) within interplanetary coronal mass ejections (ICMEs). We study an ICME observed on 2001 December 29 at 1 au by ACE and Wind, at a total angular separation of sim0.8^circ (sim0.014~au). We focus on the correlation and complexity of its magnetic structure measured between two spacecraft in association with large-amplitude AFs. The Alfv\'enicity of the ME is investigated in terms of the residual energy and cross helicity of fluctuations. We find that as for the event of interest, large-amplitude AFs occur in the rear region of the ME at both Wind and ACE with a duration of about six hours. We compare the correlation of the magnetic field strength and vector components measured between Wind and ACE, and investigate complexity in terms of the magnetic hodograms. The region showing AFs is found to be associated with a decreased correlation of the magnetic field components and an increased complexity of the ME magnetic configuration detected at ACE and Wind, which may be due to the fact that the two spacecraft crossing the same ME along different trajectories likely sampled AFs in different oscillation phases. Combining multi-point in-situ measurements and remote-sensing observations of the ICME source region, we further discuss different potential sources of the AFs.

Existing RAG benchmarks often overlook query difficulty, leading to inflated performance on simpler questions and unreliable evaluations. A robust benchmark dataset must satisfy three key criteria: quality, diversity, and difficulty, which capturing the complexity of reasoning based on hops and the distribution of supporting evidence. In this paper, we propose MHTS (Multi-Hop Tree Structure), a novel dataset synthesis framework that systematically controls multi-hop reasoning complexity by leveraging a multi-hop tree structure to generate logically connected, multi-chunk queries. Our fine-grained difficulty estimation formula exhibits a strong correlation with the overall performance metrics of a RAG system, validating its effectiveness in assessing both retrieval and answer generation capabilities. By ensuring high-quality, diverse, and difficulty-controlled queries, our approach enhances RAG evaluation and benchmarking capabilities.

Visual teach-and-repeat (VT&R) navigation enables robots to autonomously traverse previously demonstrated paths using visual feedback. We present a novel event-camera-based VT\&R system. Our system formulates event-stream matching as frequency-domain cross-correlation, transforming spatial convolutions into efficient Fourier-space multiplications. By exploiting the binary structure of event frames and applying image compression techniques, we achieve a processing latency of just 2.88 ms, about 3.5 times faster than conventional camera-based baselines that are optimised for runtime efficiency. Experiments using a Prophesee EVK4 HD event camera mounted on an AgileX Scout Mini robot demonstrate successful autonomous navigation across 3000+ meters of indoor and outdoor trajectories in daytime and nighttime conditions. Our system maintains Cross-Track Errors (XTE) below 15 cm, demonstrating the practical viability of event-based perception for real-time VT\&R navigation.

BACKGROUND: Radiology reports are typically written in a free-text format, making clinical information difficult to extract and use. Recently the adoption of structured reporting (SR) has been recommended by various medical societies thanks to the advantages it offers, e.g. standardization, completeness and information retrieval. We propose a pipeline to extract information from free-text radiology reports, that fits with the items of the reference SR registry proposed by a national society of interventional and medical radiology, focusing on CT staging of patients with lymphoma. METHODS: Our work aims to leverage the potential of Natural Language Processing (NLP) and Transformer-based models to deal with automatic SR registry filling. With the availability of 174 radiology reports, we investigate a rule-free generative Question Answering approach based on a domain-specific version of T5 (IT5). Two strategies (batch-truncation and ex-post combination) are implemented to comply with the model's context length limitations. Performance is evaluated in terms of strict accuracy, F1, and format accuracy, and compared with the widely used GPT-3.5 Large Language Model. A 5-point Likert scale questionnaire is used to collect human-expert feedback on the similarity between medical annotations and generated answers. RESULTS: The combination of fine-tuning and batch splitting allows IT5 to achieve notable results; it performs on par with GPT-3.5 albeit its size being a thousand times smaller in terms of parameters. Human-based assessment scores show a high correlation (Spearman's correlation coefficients>0.88, p-values<0.001) with AI performance metrics (F1) and confirm the superior ability of LLMs (i.e., GPT-3.5, 175B of parameters) in generating plausible human-like statements.

Facial action unit (AU) detection and facial expression (FE) recognition can be jointly viewed as affective facial behavior tasks, representing fine-grained muscular activations and coarse-grained holistic affective states, respectively. Despite their inherent semantic correlation, existing studies predominantly focus on knowledge transfer from AUs to FEs, while bidirectional learning remains insufficiently explored. In practice, this challenge is further compounded by heterogeneous data conditions, where AU and FE datasets differ in annotation paradigms (frame-level vs.\ clip-level), label granularity, and data availability and diversity, hindering effective joint learning. To address these issues, we propose a Structured Semantic Mapping (SSM) framework for bidirectional AU--FE learning under different data domains and heterogeneous supervision. SSM consists of three key components: (1) a shared visual backbone that learns unified facial representations from dynamic AU and FE videos; (2) semantic mediation via a Textual Semantic Prototype (TSP) module, which constructs structured semantic prototypes from fixed textual descriptions augmented with learnable context prompts, serving as supervision signals and cross-task alignment anchors in a shared semantic space; and (3) a Dynamic Prior Mapping (DPM) module that incorporates prior knowledge derived from the Facial Action Coding System and learns a data-driven association matrix in a high-level feature space, enabling explicit and bidirectional knowledge transfer. Extensive experiments on popular AU detection and FE recognition benchmarks show that SSM achieves state-of-the-art performance on both tasks simultaneously, and demonstrate that holistic expression semantics can in turn enhance fine-grained AU learning even across heterogeneous datasets.

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity (ΔG) and mutation-induced affinity changes (ΔΔG) using only protein sequence information. Our approach offers a significant advancement over existing methods by employing specialized prediction heads that operate on a shared representation network, allowing direct and optimized prediction of both values. To ensure robust generalization, we integrated complementary datasets from SKEMPI v2 and PDBbind with a rigorous protein domain-based splitting strategy that prevents information leakage between training and validation sets. Our architecture combines transformer-based encoders with a novel cross-attention mechanism that processes paired protein sequences directly, without requiring any structural information. The network embeds input sequences using ESM3 representations, then employs a learnable sliced window embedding layer to manage variable-length sequences efficiently. A multi-layer transformer encoder with bidirectional self-attention captures intra-protein patterns, while cross-attention layers enable explicit modeling of interactions between protein pairs. This shared representation network feeds into separate ΔG and ΔΔG prediction heads, allowing task-specific optimization while leveraging common features. The model achieves ΔΔG validation of Pearson correlation at 0.485, while maintaining strong ΔG predictions (Pearson: 0.638). While existing approaches require protein structure data and binding interface information, our model eliminates these constraints. This provides a critical advantage for the numerous proteins with unknown structures or those challenging to crystallize, such as viral and intrinsically disordered proteins.

Searching for new superconductors, especially unconventional superconductors, has been studied extensively for decades but remains one of the major outstanding challenges in condensed matter physics. Medium/high-entropy alloys (MEAs-HEAs) are new fertile soils of unconventional superconductors and generate widespread interest and questions on the existence of superconductivity in highly disordered materials. Here, we report on the effect of Ni-doped on the crystal structure and superconductivity properties of strongly coupled TiHfNbTa MEA. XRD results indicate that the maximum solid solution of (Ti1/4Hf1/4Nb1/4Ta1/4)1-xNix is about 7.7%. Resistivity, magnetic susceptibility, and specific heat measurements demonstrated that (Ti1/4Hf1/4Nb1/4Ta1/4)1-xNix HEAs are all bulk type-II superconductors and follow the trend of the increase of Tc with the increase of Ni-doped contents. The specific heat jump of all (Ti1/4Hf1/4Nb1/4Ta1/4)1-xNix are much larger than the BCS value of 1.43, suggesting all these HEAs are strongly coupled superconductors. Additionally, large Kadawaki-Woods ratio values suggest that there is a strong electron correlation effect in this system. The (Ti1/4Hf1/4Nb1/4Ta1/4)1-xNix HEA system is a new ideal material platform for the study of strong correlation behavior and strongly coupled superconductivity, which provides an insight into the physics of high-temperature superconductors or other unconventional superconductors.

Efficiently quantifying renal structures can provide distinct spatial context and facilitate biomarker discovery for kidney morphology. However, the development and evaluation of the transformer model to segment the renal cortex, medulla, and collecting system remains challenging due to data inefficiency. Inspired by the hierarchical structures in vision transformer, we propose a novel method using a 3D block aggregation transformer for segmenting kidney components on contrast-enhanced CT scans. We construct the first cohort of renal substructures segmentation dataset with 116 subjects under institutional review board (IRB) approval. Our method yields the state-of-the-art performance (Dice of 0.8467) against the baseline approach of 0.8308 with the data-efficient design. The Pearson R achieves 0.9891 between the proposed method and manual standards and indicates the strong correlation and reproducibility for volumetric analysis. We extend the proposed method to the public KiTS dataset, the method leads to improved accuracy compared to transformer-based approaches. We show that the 3D block aggregation transformer can achieve local communication between sequence representations without modifying self-attention, and it can serve as an accurate and efficient quantification tool for characterizing renal structures.

Semi-structured documents integrate diverse interleaved data elements (e.g., tables, charts, hierarchical paragraphs) arranged in various and often irregular layouts. These documents are widely observed across domains and account for a large portion of real-world data. However, existing methods struggle to support natural language question answering over these documents due to three main technical challenges: (1) The elements extracted by techniques like OCR are often fragmented and stripped of their original semantic context, making them inadequate for analysis. (2) Existing approaches lack effective representations to capture hierarchical structures within documents (e.g., associating tables with nested chapter titles) and to preserve layout-specific distinctions (e.g., differentiating sidebars from main content). (3) Answering questions often requires retrieving and aligning relevant information scattered across multiple regions or pages, such as linking a descriptive paragraph to table cells located elsewhere in the document. To address these issues, we propose MoDora, an LLM-powered system for semi-structured document analysis. First, we adopt a local-alignment aggregation strategy to convert OCR-parsed elements into layout-aware components, and conduct type-specific information extraction for components with hierarchical titles or non-text elements. Second, we design the Component-Correlation Tree (CCTree) to hierarchically organize components, explicitly modeling inter-component relations and layout distinctions through a bottom-up cascade summarization process. Finally, we propose a question-type-aware retrieval strategy that supports (1) layout-based grid partitioning for location-based retrieval and (2) LLM-guided pruning for semantic-based retrieval. Experiments show MoDora outperforms baselines by 5.97%-61.07% in accuracy. The code is at https://github.com/weAIDB/MoDora.

Interactive traffic simulation is a vital world model for autonomous driving. A central challenge in long-horizon simulation is modeling sustained multi-agent interactions, which is further exacerbated by dynamic token cardinality as agents continuously enter and exit the scene. In this work, we propose that the solution lies in the synergy between the architectural inductive biases and statistical priors of large-scale sequence models, e.g., Large Language Models (LLMs). Our probing experiments reveal that the transferability of attention mechanisms and the distributional consistency between motion tokens and natural language enable small-scale, heavily frozen LLMs to rapidly adapt to traffic modeling. Building on this insight, we introduce RosettaSim, a unified framework that projects scene topology, agent states, and spawning intents into a structured autoregressive stream with variable length, achieving both strong short-term accuracy and stable long-horizon simulation fidelity. Furthermore, evaluating extended rollouts presents yet another hurdle, as one-to-one agent correspondence inevitably fades over time. To address this, we introduce Retrieval-based Traffic Evaluation (RTE), which retrieves semantically similar real-world scenarios as context-aware reference anchors. Experiments on the Waymo Open Sim Agent Challenge (WOSAC) demonstrate that RosettaSim achieves state-of-the-art performance in both short- and long-term simulation. Furthermore, RTE exhibits a stronger correlation with standard metrics (r=0.83) than existing approaches (r=0.74), indicating improved alignment with long-horizon simulation fidelity.

Density Functional Theory (DFT) underpins much of modern computational chemistry and materials science. Yet, the reliability of DFT-derived predictions of experimentally measurable properties remains fundamentally limited by the need to approximate the unknown exchange-correlation (XC) functional. The traditional paradigm for improving accuracy has relied on increasingly elaborate hand-crafted functional forms. This approach has led to a longstanding trade-off between computational efficiency and accuracy, which remains insufficient for reliable predictive modelling of laboratory experiments. Here we introduce Skala, a deep learning-based XC functional that surpasses state-of-the-art hybrid functionals in accuracy across the main-group chemistry benchmark set GMTKN55 with an error of 2.8 kcal/mol, while retaining the lower computational cost characteristic of semi-local DFT. This demonstrated departure from the historical trade-off between accuracy and efficiency is enabled by learning non-local representations of electronic structure directly from data, bypassing the need for increasingly costly hand-engineered features. Leveraging an unprecedented volume of high-accuracy reference data from wavefunction-based methods, we establish that modern deep learning enables systematically improvable neural exchange-correlation models as training datasets expand, positioning first-principles simulations to become progressively more predictive.

We investigate the relationship between the Lyman-alpha (Lya) forest transmission in the intergalactic medium (IGM) and the environmental density of galaxies, focusing on its implications for the measurement of ionizing radiation escape fractions. Using a sample of 268 spectroscopically confirmed background galaxies at 2.7<z<3.0 and a galaxy density map at z~2.5 within the COSMOS field, we measure the Lya transmission photometrically, leveraging the multiwavelength data available from the COSMOS2020 catalog. Our results reveal a weak but statistically significant positive correlation between Lya optical depth and galaxy density contrast, suggesting that overdense regions are enriched in neutral gas, which could bias escape fraction measurements. This emphasizes the need to account for the large-scale structure of the IGM in analyses of ionizing radiation escape fractions, and highlights the advantages of a photometric approach for increasing the number of sampled lines of sight across large fields. The photometric redshifts provided by upcoming all-sky surveys, such as Euclid, will make it possible to account for this effect across widely separated fields.

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform intervention-based reasoning to infer cause-and-effect. Addressing this requires overcoming key challenges: designing safe, controllable agentic frameworks; developing rigorous benchmarks for causal evaluation; integrating heterogeneous data sources; and synergistically combining LLMs with structured knowledge (KGs) and formal causal inference tools. Such agents could unlock transformative opportunities, including accelerating drug discovery through automated hypothesis generation and simulation, enabling personalized medicine through patient-specific causal models. This research agenda aims to foster interdisciplinary efforts, bridging causal concepts and foundation models to develop reliable AI partners for biomedical progress.

Distance correlation is a novel class of multivariate dependence measure, taking positive values between 0 and 1, and applicable to random vectors of arbitrary dimensions, not necessarily equal. It offers several advantages over the well-known Pearson correlation coefficient, the most important is that distance correlation equals zero if and only if the random vectors are independent. There are two different estimators of the distance correlation available in the literature. The first one, proposed by Székely et al. (2007), is based on an asymptotically unbiased estimator of the distance covariance which turns out to be a V-statistic. The second one builds on an unbiased estimator of the distance covariance proposed in Székely et al. (2014), proved to be an U-statistic by Székely and Huo (2016). This study evaluates their efficiency (mean squared error) and compares computational times for both methods under different dependence structures. Under conditions of independence or near-independence, the V-estimates are biased, while the U-estimator frequently cannot be computed due to negative values. To address this challenge, a convex linear combination of the former estimators is proposed and studied, yielding good results regardless of the level of dependence.

We measure the broad impact of galaxy structure on galaxy formation by examining the ongoing star formation and integrated star formation history as revealed through the stellar masses of galaxies at z < 7 based on JWST CEERS data from the Extended Groth Strip (EGS). Using the morphological catalog of 3965 visually classified JWST galaxies from Ferreira et al. (2023), we investigate the evolution of stars, and when they form, as a function of morphological type as well as galaxies classified as passive and starburst through spectral energy distributions. Although disk galaxies dominate the structures of galaxies at z < 7, we find that these disks are in general either `passive', or on the main-sequence of star formation, and do not contain a large population of starburst galaxies. We also find no significant correlation between morphological type and the star formation rate or colours of galaxies at z < 7. In fact, we find that the morphologically classified `spheroids' tend to be blue and are not found to be predominately passive systems at z > 1.5. We also find that the stellar mass function for disk galaxies does not evolve significantly during this time, whereas other galaxy types, such as the peculiar population, evolve dramatically, declining at lower redshifts. This indicates that massive peculiars are more common at higher redshifts. We further find that up to z sim 7, the specific star formation rate (sSFR) does not vary with visual morphology, but strongly depends on stellar mass and internal galaxy mass density. This demonstrates that at early epochs galaxy assembly is a mass-driven, rather than a morphologically-driven, process. Quenching of star formation is therefore a mass-dominated process throughout the universe's history, likely due to the presence of supermassive black holes.

To enhance group robustness to spurious correlations, prior work often relies on auxiliary annotations for groups or spurious features and assumes identical sets of groups across source and target domains. These two requirements are both unnatural and impractical in real-world settings. To overcome these limitations, we propose a method that leverages the semantic structure inherent in class labels--specifically, superclass information--to naturally reduce reliance on spurious features. Our model employs gradient-based attention guided by a pre-trained vision-language model to disentangle superclass-relevant and irrelevant features. Then, by promoting the use of all superclass-relevant features for prediction, our approach achieves robustness to more complex spurious correlations without the need to annotate any source samples. Experiments across diverse datasets demonstrate that our method significantly outperforms baselines in domain generalization tasks, with clear improvements in both quantitative metrics and qualitative visualizations.

We construct a geometric framework for cosmological large-scale structure based on optimal transport theory and Wasserstein geometry. In this framework, Ricci curvature on the probability measure space P_2(M) is characterized by the geodesic convexity of entropy and is formulated as the response of probability distributions to optimal transport. We introduce effective Ricci curvatures K_{eff}^{(infty)} and K_{eff}^{(N)} associated with Kullback--Leibler-type and Rényi-type entropies, corresponding respectively to the curvature-dimension conditions CD(K,infty) and CD(K,N). By localizing these curvatures to finite scales using local and reference measures, we construct curvature indicators applicable to observational data. Under a local quadratic approximation, the effective curvature reduces to the Hessian of the log-density, showing that conventional Hessian-based structure classifications arise as a limiting case of the present framework. We further show that effective curvature depends on observational scale and formulate this dependence as a scale flow, distinct from Ricci flow because it describes a change of resolution rather than a time evolution of geometry. Treating curvature as a random field then extends the statistical description of density fields: curvature statistics are given by higher-order weighted integrals of the power spectrum and by spatial derivatives of the correlation function, emphasizing geometric rather than amplitude information. This framework provides a unified connection between optimal transport geometry and cosmological structure analysis, and offers a new perspective on multiscale structure and nonlinear statistics.

To discover the weaknesses of LLMs, researchers often embed prompts into a vector space and cluster them to extract insightful patterns. However, vector embeddings primarily capture topical similarity. As a result, prompts that share a topic but differ in specificity, and consequently in difficulty, are often represented similarly, making fine-grained weakness analysis difficult. To address this limitation, we propose PROMPT2BOX, which embeds prompts into a box embedding space using a trained encoder. The encoder, trained on existing and synthesized datasets, outputs box embeddings that capture not only semantic similarity but also specificity relations between prompts (e.g., "writing an adventure story" is more specific than "writing a story"). We further develop a novel dimension reduction technique for box embeddings to facilitate dataset visualization and comparison. Our experiments demonstrate that box embeddings consistently capture prompt specificity better than vector baselines. On the downstream task of creating hierarchical clustering trees for 17 LLMs from the UltraFeedback dataset, PROMPT2BOX can identify 8.9\% more LLM weaknesses than vector baselines and achieves an approximately 33\% stronger correlation between hierarchical depth and instruction specificity.

Motivated by recent observations of symmtry broken phases in lightly-doped multilayer graphene, we investigate magnetic phase transitions in a generalized electron gas model with four-component electron spin. This model simplifies the problem with a parabolic dispersion band, abstracting away the details of the graphene band structure to focus solely on the effects of the Coulomb interaction. We report four findings: 1) In the Hartree-Fock approximation, we observe that the paramagnetic state undergoes a sequence of density-driven, first-order phase transitions, progressively depopulating electrons from each spin component until achieving complete polarization within a very narrow density window where 1.2<r_s<2 (r_s being the electron gas parameter). 2) Further incorporating the correlation energy via the Bohm-Pines random-phase approximation shows that the cascade of transitions obtained within Hartree-Fock approximation is replaced by a single ferromagnetic phase transition at r_s = 6.12. 3) The disappearance of cascade is due to the correlation energy difference between the four-component paramagnetic state and symmetry-broken phases, which is nearly an order of magnitude more negative than the corresponding Hartree-Fock energy difference for 1.2 < r_s < 2. 4) The transition from the paramagnetic state to the fully polarized state at r_s=6.12 is governed by the balance between exchange and correlation energies, a competition that cannot be captured by mean-field approximations to models featuring effective (density-dependent) delta-function interactions, such as the Stoner model. We use the insights from our model to comment on the phase diagram of multilayer graphene electron gas.

Machine-learned exchange--correlation (XC) functionals offer a route to improve Kohn--Sham density-functional theory without incurring the cost of explicitly correlated electronic-structure methods. Their use in production simulation codes, however, requires a well-defined mapping between the learned model and the host-code density representation. We formulate and implement a Skala-1.1 interface in CP2K through the external GauXC library. CP2K supplies the geometry, Gaussian basis, spin-resolved atomic-orbital density matrix, and communicator, while GauXC evaluates the XC energy, atomic-orbital potential matrix, and available nuclear derivatives. The interface accepts both all-electron and valence-only density matrices. The latter may arise from separable dual-space pseudopotentials or molecular effective-core potentials. Implementation errors are isolated from functional differences by comparing the Perdew--Burke--Ernzerhof (PBE) functional evaluated through GauXC with native CP2K PBE. The resulting interface gives consistent energies, forces validated against finite-difference total-energy checks, and force-based molecular-virial diagnostics for representative molecular cases. The dietGMTKN55 benchmark suite is evaluated with an all-electron Gaussian augmented plane-wave treatment for elements up to bromine and def2 effective-core potentials for the heavier elements. The resulting aggregate mean absolute deviation of 1.255 kcal/mol is within 0.020 kcal/mol of the corresponding Skala reference value of 1.235 kcal/mol. This work establishes a validated molecular implementation of Skala in CP2K through GauXC.

One of the distinguishing aspects of CP2K is its seamless integration of diverse structural and transition-state optimization techniques with advanced sampling approaches including Monte Carlo, molecular dynamics, and metadynamics, enabling the efficient exploration of complex potential- and free-energy landscapes, including rare events. These capabilities are combined with a broad hierarchy of energy and force evaluation methods, ranging from classical and machine-learned interaction potentials and mixed quantum-classical multiscale and semiempirical schemes, to highly accurate quantum-mechanical electronic-structure approaches. At the heart of the latter lies the Gaussian and plane-wave framework, along with its augmented all-electron generalization, which have been described in detail in our previous code review [T. D. Kühne et al., J. Chem. Phys. 152, 194103 (2020)]. Building on this foundation, the present work revisits the methods within CP2K that turn electronic structure into dynamics, transport, and spectroscopic response. Particular emphasis is placed on the coupling between static response calculations and nuclear motion: spectra may be evaluated at optimized structures, averaged over thermally sampled configurations, obtained from time-correlation functions along ab-initio or path integral molecular trajectories, or followed in real time together with electronic and nuclear dynamics. The same modular structure also enables equilibrium and biased transport simulations, from Kubo-type linear response to open-boundary approaches under external potentials, highlighting CP2K's unique capability to unify quantum chemistry with quantum and statistical mechanics within a versatile, holistic simulation environment.

Crowd counting is an application-oriented task and its inference efficiency is crucial for real-world applications. However, most previous works relied on heavy backbone networks and required prohibitive run-time consumption, which would seriously restrict their deployment scopes and cause poor scalability. To liberate these crowd counting models, we propose a novel Structured Knowledge Transfer (SKT) framework, which fully exploits the structured knowledge of a well-trained teacher network to generate a lightweight but still highly effective student network. Specifically, it is integrated with two complementary transfer modules, including an Intra-Layer Pattern Transfer which sequentially distills the knowledge embedded in layer-wise features of the teacher network to guide feature learning of the student network and an Inter-Layer Relation Transfer which densely distills the cross-layer correlation knowledge of the teacher to regularize the student's feature evolutio Consequently, our student network can derive the layer-wise and cross-layer knowledge from the teacher network to learn compact yet effective features. Extensive evaluations on three benchmarks well demonstrate the effectiveness of our SKT for extensive crowd counting models. In particular, only using around 6% of the parameters and computation cost of original models, our distilled VGG-based models obtain at least 6.5times speed-up on an Nvidia 1080 GPU and even achieve state-of-the-art performance. Our code and models are available at {https://github.com/HCPLab-SYSU/SKT}.

Causal reasoning in natural language requires identifying relevant variables, understanding their interactions, and reasoning about effects and interventions, often under noisy or ambiguous conditions. While large language models (LLMs) exhibit strong general reasoning abilities, they struggle to disentangle correlation from causation, particularly when observations are partially incorrect or irrelevant information is present. In this work, we introduce NoisyCausal, a new benchmark designed to evaluate causal reasoning under structured noise. Each instance is generated from a ground-truth causal graph and contextualized with a natural language scenario by injecting controllable forms of noise, such as irrelevant distractors, value perturbations, confounding, and partial observability. Moreover, we propose a modular reasoning framework that combines LLMs with explicit causal structure to address these challenges. Our method prompts the LLM to extract variables, construct a causal graph from context, and then reformulates the reasoning task as a structured prompt grounded in this graph. Rather than relying on statistical patterns alone, the LLM is guided by symbolic structure, enabling more interpretable and robust inference. Experimental results show that our method significantly outperforms standard prompting and reasoning baselines on NoisyCausal. Furthermore, it generalizes well to external benchmarks such as Cladder without task-specific tuning. Our findings highlight the importance of combining causal abstractions with language-driven reasoning to achieve faithful and robust causal understanding in LLMs.

We introduce RoboEval, a structured evaluation framework and benchmark for robotic manipulation that augments binary success with principled behavioral and outcome metrics. Existing evaluations often collapse performance into outcome counts, masking differences in execution quality and obscuring failure structure. RoboEval provides eight bimanual tasks with systematically controlled variations, more than three thousand expert demonstrations, and a modular simulation platform for reproducible experimentation. All tasks are instrumented with standardized metrics that quantify efficiency, coordination, and safety/stability, as well as outcome measures that trace stagewise progress and localize failure modes. Through extensive experiments with state-of-the-art visuomotor policies, we validate these metrics by analyzing their stability under variation, discriminative power across policies with similar success rates, and correlation with task success. Project Page: https://robo-eval.github.io

We consider the problem of graph matching, or learning vertex correspondence, between two correlated stochastic block models (SBMs). The graph matching problem arises in various fields, including computer vision, natural language processing and bioinformatics, and in particular, matching graphs with inherent community structure has significance related to de-anonymization of correlated social networks. Compared to the correlated Erdos-Renyi (ER) model, where various efficient algorithms have been developed, among which a few algorithms have been proven to achieve the exact matching with constant edge correlation, no low-order polynomial algorithm has been known to achieve exact matching for the correlated SBMs with constant correlation. In this work, we propose an efficient algorithm for matching graphs with community structure, based on the comparison between partition trees rooted from each vertex, by extending the idea of Mao et al. (2021) to graphs with communities. The partition tree divides the large neighborhoods of each vertex into disjoint subsets using their edge statistics to different communities. Our algorithm is the first low-order polynomial-time algorithm achieving exact matching between two correlated SBMs with high probability in dense graphs.

The Stokes V parameter characterizes asymmetry of amplitudes between right- and left-handed waves, and non-vanishing value of the V parameter yields a circularly polarized signal. Cosmologically, V parameter may be a direct probe for parity violation in the universe. In this paper, we theoretically investigate a measurement of this parameter, particularly focusing on the gravitational-wave backgrounds observed via ground-based interferometers. In contrast to the traditional analysis that only considers the total amplitude (or equivalently Omega_{GW}), the signal analysis including a circular-polarized mode has a rich structure due to the multi-dimensionality of target parameters. We show that, by using the network of next-generation detectors, separation between polarized and unpolarized modes can be performed with small statistical loss induced by their correlation.

Latent or continuous chain-of-thought methods replace explicit textual rationales with a number of internal latent steps, but these intermediate computations are difficult to evaluate beyond correlation-based probes. In this paper, we view latent chain-of-thought as a manipulable causal process in representation space by modeling latent steps as variables in a structural causal model (SCM) and analyzing their effects through step-wise do-interventions. We study two representative paradigms (i.e., Coconut and CODI) on both mathematical and general reasoning tasks to investigate three key questions: (1) which steps are causally necessary for correctness and when answers become decidable early; (2) how does influence propagate across steps, and how does this structure compare to explicit CoT; and (3) do intermediate trajectories retain competing answer modes, and how does output-level commitment differ from representational commitment across steps. We find that latent-step budgets behave less like homogeneous extra depth and more like staged functionality with non-local routing, and we identify a persistent gap between early output bias and late representational commitment. These results motivate mode-conditional and stability-aware analyses -- and corresponding training/decoding objectives -- as more reliable tools for interpreting and improving latent reasoning systems. Code is available at https://github.com/J1mL1/causal-latent-cot.

During the compression, transmission, and rendering of point clouds, various artifacts are introduced, affecting the quality perceived by the end user. However, evaluating the impact of these distortions on the overall quality is a challenging task. This study introduces PST-PCQA, a no-reference point cloud quality metric based on a low-complexity, learning-based framework. It evaluates point cloud quality by analyzing individual patches, integrating local and global features to predict the Mean Opinion Score. In summary, the process involves extracting features from patches, combining them, and using correlation weights to predict the overall quality. This approach allows us to assess point cloud quality without relying on a reference point cloud, making it particularly useful in scenarios where reference data is unavailable. Experimental tests on three state-of-the-art datasets show good prediction capabilities of PST-PCQA, through the analysis of different feature pooling strategies and its ability to generalize across different datasets. The ablation study confirms the benefits of evaluating quality on a patch-by-patch basis. Additionally, PST-PCQA's light-weight structure, with a small number of parameters to learn, makes it well-suited for real-time applications and devices with limited computational capacity. For reproducibility purposes, we made code, model, and pretrained weights available at https://github.com/michaelneri/PST-PCQA.

With the advent of convolutional neural networks, stereo matching algorithms have recently gained tremendous progress. However, it remains a great challenge to accurately extract disparities from real-world image pairs taken by consumer-level devices like smartphones, due to practical complicating factors such as thin structures, non-ideal rectification, camera module inconsistencies and various hard-case scenes. In this paper, we propose a set of innovative designs to tackle the problem of practical stereo matching: 1) to better recover fine depth details, we design a hierarchical network with recurrent refinement to update disparities in a coarse-to-fine manner, as well as a stacked cascaded architecture for inference; 2) we propose an adaptive group correlation layer to mitigate the impact of erroneous rectification; 3) we introduce a new synthetic dataset with special attention to difficult cases for better generalizing to real-world scenes. Our results not only rank 1st on both Middlebury and ETH3D benchmarks, outperforming existing state-of-the-art methods by a notable margin, but also exhibit high-quality details for real-life photos, which clearly demonstrates the efficacy of our contributions.

Deep convolutional neural networks achieve remarkable visual recognition performance, at the cost of high computational complexity. In this paper, we have a new design of efficient convolutional layers based on three schemes. The 3D convolution operation in a convolutional layer can be considered as performing spatial convolution in each channel and linear projection across channels simultaneously. By unravelling them and arranging the spatial convolution sequentially, the proposed layer is composed of a single intra-channel convolution, of which the computation is negligible, and a linear channel projection. A topological subdivisioning is adopted to reduce the connection between the input channels and output channels. Additionally, we also introduce a spatial "bottleneck" structure that utilizes a convolution-projection-deconvolution pipeline to take advantage of the correlation between adjacent pixels in the input. Our experiments demonstrate that the proposed layers remarkably outperform the standard convolutional layers with regard to accuracy/complexity ratio. Our models achieve similar accuracy to VGG, ResNet-50, ResNet-101 while requiring 42, 4.5, 6.5 times less computation respectively.

Machine unlearning techniques aim to mitigate unintended memorization in large language models (LLMs). However, existing approaches predominantly focus on the explicit removal of isolated facts, often overlooking latent inferential dependencies and the non-deterministic nature of knowledge within LLMs. Consequently, facts presumed forgotten may persist implicitly through correlated information. To address these challenges, we propose a knowledge unlearning evaluation framework that more accurately captures the implicit structure of real-world knowledge by representing relevant factual contexts as knowledge graphs with associated confidence scores. We further develop an inference-based evaluation protocol leveraging powerful LLMs as judges; these judges reason over the extracted knowledge subgraph to determine unlearning success. Our LLM judges utilize carefully designed prompts and are calibrated against human evaluations to ensure their trustworthiness and stability. Extensive experiments on our newly constructed benchmark demonstrate that our framework provides a more realistic and rigorous assessment of unlearning performance. Moreover, our findings reveal that current evaluation strategies tend to overestimate unlearning effectiveness. Our code is publicly available at https://github.com/Graph-COM/Knowledge_Unlearning.git.

In this paper, we propose a method to improve the accuracy of speech emotion recognition (SER) by using vision transformer (ViT) to attend to the correlation of frequency (y-axis) with time (x-axis) in spectrogram and transferring positional information between ViT through knowledge transfer. The proposed method has the following originality i) We use vertically segmented patches of log-Mel spectrogram to analyze the correlation of frequencies over time. This type of patch allows us to correlate the most relevant frequencies for a particular emotion with the time they were uttered. ii) We propose the use of image coordinate encoding, an absolute positional encoding suitable for ViT. By normalizing the x, y coordinates of the image to -1 to 1 and concatenating them to the image, we can effectively provide valid absolute positional information for ViT. iii) Through feature map matching, the locality and location information of the teacher network is effectively transmitted to the student network. Teacher network is a ViT that contains locality of convolutional stem and absolute position information through image coordinate encoding, and student network is a structure that lacks positional encoding in the basic ViT structure. In feature map matching stage, we train through the mean absolute error (L1 loss) to minimize the difference between the feature maps of the two networks. To validate the proposed method, three emotion datasets (SAVEE, EmoDB, and CREMA-D) consisting of speech were converted into log-Mel spectrograms for comparison experiments. The experimental results show that the proposed method significantly outperforms the state-of-the-art methods in terms of weighted accuracy while requiring significantly fewer floating point operations (FLOPs). Overall, the proposed method offers an promising solution for SER by providing improved efficiency and performance.

Recent studies illustrate the correlation between the angular momenta of cosmic structures and their Lagrangian properties. However, only baryons are observable and it is unclear whether they reliably trace the cosmic angular momenta. We study the Lagrangian mass distribution, spin correlation, and predictability of dark matter, gas, and stellar components of galaxy-halo systems using IllustrisTNG, and show that the primordial segregations between components are typically small. Their protoshapes are also similar in terms of the statistics of moment of inertia tensors. Under the common gravitational potential they are expected to exert the same tidal torque and the strong spin correlations are not destroyed by the nonlinear evolution and complicated baryonic effects, as confirmed by the high-resolution hydrodynamic simulations. We further show that their late-time angular momenta traced by total gas, stars, or the central galaxies, can be reliably reconstructed by the initial perturbations. These results suggest that baryonic angular momenta can potentially be used in reconstructing the parameters and models related to the initial perturbations.

Vision-language models (VLMs) achieve strong multimodal performance, yet how computation is organized across populations of neurons remains poorly understood. In this work, we study VLMs through the lens of neural topology, representing each layer as a within-layer correlation graph derived from neuron-neuron co-activations. This view allows us to ask whether population-level structure is behaviorally meaningful, how it changes across modalities and depth, and whether it identifies causally influential internal components under intervention. We show that correlation topology carries recoverable behavioral signal; moreover, cross-modal structure progressively consolidates with depth around a compact set of recurrent hub neurons, whose targeted perturbation substantially alters model output. Neural topology thus emerges as a meaningful intermediate scale for VLM interpretability: richer than local attribution, more tractable than full circuit recovery, and empirically tied to multimodal behavior. Code is publicly available at https://github.com/he-h/vlm-graph-probing.

Correlation does not imply causation, but patterns of statistical association between variables can be exploited to infer a causal structure (even with purely observational data) with the burgeoning field of causal discovery. As a purely observational science, astrophysics has much to gain by exploiting these new methods. The supermassive black hole (SMBH)--galaxy interaction has long been constrained by observed scaling relations, that is low-scatter correlations between variables such as SMBH mass and the central velocity dispersion of stars in a host galaxy's bulge. This study, using advanced causal discovery techniques and an up-to-date dataset, reveals a causal link between galaxy properties and dynamically-measured SMBH masses. We apply a score-based Bayesian framework to compute the exact conditional probabilities of every causal structure that could possibly describe our galaxy sample. With the exact posterior distribution, we determine the most likely causal structures and notice a probable causal reversal when separating galaxies by morphology. In elliptical galaxies, bulge properties (built from major mergers) tend to influence SMBH growth, while in spiral galaxies, SMBHs are seen to affect host galaxy properties, potentially through feedback in gas-rich environments. For spiral galaxies, SMBHs progressively quench star formation, whereas in elliptical galaxies, quenching is complete, and the causal connection has reversed. Our findings support theoretical models of hierarchical assembly of galaxies and active galactic nuclei feedback regulating galaxy evolution. Our study suggests the potentiality for further exploration of causal links in astrophysical and cosmological scaling relations, as well as any other observational science.

We introduce AbBiBench (Antibody Binding Benchmarking), a benchmarking framework for antibody binding affinity maturation and design. Unlike previous strategies that evaluate antibodies in isolation, typically by comparing them to natural sequences with metrics such as amino acid recovery rate or structural RMSD, AbBiBench instead treats the antibody-antigen (Ab-Ag) complex as the fundamental unit. It evaluates an antibody design's binding potential by measuring how well a protein model scores the full Ab-Ag complex. We first curate, standardize, and share more than 184,500 experimental measurements of antibody mutants across 14 antibodies and 9 antigens-including influenza, lysozyme, HER2, VEGF, integrin, Ang2, and SARS-CoV-2-covering both heavy-chain and light-chain mutations. Using these datasets, we systematically compare 15 protein models including masked language models, autoregressive language models, inverse folding models, diffusion-based generative models, and geometric graph models by comparing the correlation between model likelihood and experimental affinity values. Additionally, to demonstrate AbBiBench's generative utility, we apply it to antibody F045-092 in order to introduce binding to influenza H1N1. We sample new antibody variants with the top-performing models, rank them by the structural integrity and biophysical properties of the Ab-Ag complex, and assess them with in vitro ELISA binding assays. Our findings show that structure-conditioned inverse folding models outperform others in both affinity correlation and generation tasks. Overall, AbBiBench provides a unified, biologically grounded evaluation framework to facilitate the development of more effective, function-aware antibody design models.

We propose a graph clustering formulation based on multicut (a.k.a. weighted correlation clustering) on the complete graph. Our formulation does not need specification of the graph topology as in the original sparse formulation of multicut, making our approach simpler and potentially better performing. In contrast to unweighted correlation clustering we allow for a more expressive weighted cost structure. In dense multicut, the clustering objective is given in a factorized form as inner products of node feature vectors. This allows for an efficient formulation and inference in contrast to multicut/weighted correlation clustering, which has at least quadratic representation and computation complexity when working on the complete graph. We show how to rewrite classical greedy algorithms for multicut in our dense setting and how to modify them for greater efficiency and solution quality. In particular, our algorithms scale to graphs with tens of thousands of nodes. Empirical evidence on instance segmentation on Cityscapes and clustering of ImageNet datasets shows the merits of our approach.

Despite significant advancements in neural text-to-audio generation, challenges persist in controllability and evaluation. This paper addresses these issues through the Sound Scene Synthesis challenge held as part of the Detection and Classification of Acoustic Scenes and Events 2024. We present an evaluation protocol combining objective metric, namely Fr\'echet Audio Distance, with perceptual assessments, utilizing a structured prompt format to enable diverse captions and effective evaluation. Our analysis reveals varying performance across sound categories and model architectures, with larger models generally excelling but innovative lightweight approaches also showing promise. The strong correlation between objective metrics and human ratings validates our evaluation approach. We discuss outcomes in terms of audio quality, controllability, and architectural considerations for text-to-audio synthesizers, providing direction for future research.

As large language models (LLMs) evolve from static chatbots into autonomous agents, the primary vulnerability surface shifts from final outputs to intermediate execution traces. While safety guardrails are well-benchmarked for natural language responses, their efficacy remains largely unexplored within multi-step tool-use trajectories. To address this gap, we introduce TraceSafe-Bench, the first comprehensive benchmark specifically designed to assess mid-trajectory safety. It encompasses 12 risk categories, ranging from security threats (e.g., prompt injection, privacy leaks) to operational failures (e.g., hallucinations, interface inconsistencies), featuring over 1,000 unique execution instances. Our evaluation of 13 LLM-as-a-guard models and 7 specialized guardrails yields three critical findings: 1) Structural Bottleneck: Guardrail efficacy is driven more by structural data competence (e.g., JSON parsing) than semantic safety alignment. Performance correlates strongly with structured-to-text benchmarks (ρ=0.79) but shows near-zero correlation with standard jailbreak robustness. 2) Architecture over Scale: Model architecture influences risk detection performance more significantly than model size, with general-purpose LLMs consistently outperforming specialized safety guardrails in trajectory analysis. 3) Temporal Stability: Accuracy remains resilient across extended trajectories. Increased execution steps allow models to pivot from static tool definitions to dynamic execution behaviors, actually improving risk detection performance in later stages. Our findings suggest that securing agentic workflows requires jointly optimizing for structural reasoning and safety alignment to effectively mitigate mid-trajectory risks.

Change detection in remote sensing imagery is a critical technique for Earth observation, primarily focusing on pixel-level segmentation of change regions between bi-temporal images. The essence of pixel-level change detection lies in determining whether corresponding pixels in bi-temporal images have changed. In deep learning, the spatial and channel dimensions of feature maps represent different information from the original images. In this study, we found that in change detection tasks, difference information can be computed not only from the spatial dimension of bi-temporal features but also from the channel dimension. Therefore, we designed the Channel-Spatial Difference Weighting (CSDW) module as an aggregation-distribution mechanism for bi-temporal features in change detection. This module enhances the sensitivity of the change detection model to difference features. Additionally, bi-temporal images share the same geographic location and exhibit strong inter-image correlations. To construct the correlation between bi-temporal images, we designed a decoding structure based on the Layer-Exchange (LE) method to enhance the interaction of bi-temporal features. Comprehensive experiments on the CLCD, PX-CLCD, LEVIR-CD, and S2Looking datasets demonstrate that the proposed LENet model significantly improves change detection performance. The code and pre-trained models will be available at: https://github.com/dyzy41/lenet.

Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.

In semantic segmentation, the accuracy of models heavily depends on the high-quality annotations. However, in many practical scenarios such as medical imaging and remote sensing, obtaining true annotations is not straightforward and usually requires significant human labor. Relying on human labor often introduces annotation errors, including mislabeling, omissions, and inconsistency between annotators. In the case of remote sensing, differences in procurement time can lead to misaligned ground truth annotations. These label errors are not independently distributed, and instead usually appear in spatially connected regions where adjacent pixels are more likely to share the same errors. To address these issues, we propose an approximate Bayesian estimation based on a probabilistic model that assumes training data includes label errors, incorporating the tendency for these errors to occur with spatial correlations between adjacent pixels. Bayesian inference requires computing the posterior distribution of label errors, which becomes intractable when spatial correlations are present. We represent the correlation of label errors between adjacent pixels through a Gaussian distribution whose covariance is structured by a Kac-Murdock-Szeg\"{o} (KMS) matrix, solving the computational challenges. Through experiments on multiple segmentation tasks, we confirm that leveraging the spatial correlation of label errors significantly improves performance. Notably, in specific tasks such as lung segmentation, the proposed method achieves performance comparable to training with clean labels under moderate noise levels. Code is available at https://github.com/pfnet-research/Bayesian_SpatialCorr.

Cross-modal alignment (CA) and cross-modal prediction (CP) are the dominant paradigms for multimodal representation learning, yet there is no systematic understanding of when each succeeds, when each fails, and when cross-modal training helps at all -- a gap that leaves practitioners, especially in scientific domains like biomedicine or astrophysics, with heterogeneous instruments and multiple levels of organization and measurement, unable to diagnose why standard methods underperform the best single modality. We develop a unified linear framework that addresses both questions. Under a spiked signal-plus-noise model with structured cross-modal nuisance correlation, we derive separation ratios for both objectives that expose complementary failure modes: alignment whitens each modality and fails when nuisance is strongly correlated across views; prediction encodes whatever is cross-predictable through a one-sided whitening, with recovery governed by source-modality quality. The resulting phase diagram partitions multimodal problems into four regimes: Both, CA only, CP only, and Neither. We present a data-driven procedure to locate real-world datasets in this diagram using a small labeled subsample, identifying the preferred objective and prediction direction before any cross-modal training. Experiments on synthetic data, stereo-vision benchmarks, image-caption pairs, and real astrophysical data validate the predictions in the nonlinear regime, including the Neither regime where cross-modal training is actively harmful. Our framework lets practitioners diagnose their multimodal problem and choose the right objective before committing to training. Code to reproduce the results is available at https://github.com/IlayMalinyak/mm_align_vs_pred.

Zeolites, as representative porous materials, possess intricate three-dimensional frameworks that endow them with high surface areas and remarkable catalytic properties. There are a few factors that give a huge influence on the catalytic properties, including the size and connectivity of these three-dimensional channels and atomic level defects. In additional to that, the surface morphology and thickness variation of zeolites particles are essential to their catalytic performances as well. However, it is a significant challenge to characterize these macroscopic properties of zeolites using conventional techniques due to their sensitivity to electron beams. In this study, we introduce surface-adaptive electron ptychography, an advanced approach based on multi-slice electron ptychography, which enables high-precision reconstruction of both local atomic configurations and global structural features in zeolite nanoparticles. By adaptively optimizing probe defocus and slice thickness during the reconstruction process, SAEP successfully resolves surface morphology, thickness variations and atomic structure simultaneously. This integrated framework facilitates a direct and intuitive correlation between zeolite channel structures and particle thickness. Our findings open new pathways for large-scale, comprehensive structure property analysis of beam-sensitive porous materials, deepening the understanding of their catalytic behavior.

Deep neural networks such as AlphaFold and RoseTTAFold predict remarkably accurate structures of proteins compared to other algorithmic approaches. It is known that biologically small perturbations in the protein sequence do not lead to drastic changes in the protein structure. In this paper, we demonstrate that RoseTTAFold does not exhibit such a robustness despite its high accuracy, and biologically small perturbations for some input sequences result in radically different predicted protein structures. This raises the challenge of detecting when these predicted protein structures cannot be trusted. We define the robustness measure for the predicted structure of a protein sequence to be the inverse of the root-mean-square distance (RMSD) in the predicted structure and the structure of its adversarially perturbed sequence. We use adversarial attack methods to create adversarial protein sequences, and show that the RMSD in the predicted protein structure ranges from 0.119A to 34.162A when the adversarial perturbations are bounded by 20 units in the BLOSUM62 distance. This demonstrates very high variance in the robustness measure of the predicted structures. We show that the magnitude of the correlation (0.917) between our robustness measure and the RMSD between the predicted structure and the ground truth is high, that is, the predictions with low robustness measure cannot be trusted. This is the first paper demonstrating the susceptibility of RoseTTAFold to adversarial attacks.

Four-dimensional N=2 superconformal field theories have families of protected correlation functions that possess the structure of two-dimensional chiral algebras. In this paper, we explore the chiral algebras that arise in this manner in the context of theories of class S. The class S duality web implies nontrivial associativity properties for the corresponding chiral algebras, the structure of which is best summarized in the language of generalized topological quantum field theory. We make a number of conjectures regarding the chiral algebras associated to various strongly coupled fixed points.

We introduce AgenticSimLaw, a role-structured, multi-agent debate framework that provides transparent and controllable test-time reasoning for high-stakes tabular decision-making tasks. Unlike black-box approaches, our courtroom-style orchestration explicitly defines agent roles (prosecutor, defense, judge), interaction protocols (7-turn structured debate), and private reasoning strategies, creating a fully auditable decision-making process. We benchmark this framework on young adult recidivism prediction using the NLSY97 dataset, comparing it against traditional chain-of-thought (CoT) prompting across almost 90 unique combinations of models and strategies. Our results demonstrate that structured multi-agent debate provides more stable and generalizable performance compared to single-agent reasoning, with stronger correlation between accuracy and F1-score metrics. Beyond performance improvements, AgenticSimLaw offers fine-grained control over reasoning steps, generates complete interaction transcripts for explainability, and enables systematic profiling of agent behaviors. While we instantiate this framework in the criminal justice domain to stress-test reasoning under ethical complexity, the approach generalizes to any deliberative, high-stakes decision task requiring transparency and human oversight. This work addresses key LLM-based multi-agent system challenges: organization through structured roles, observability through logged interactions, and responsibility through explicit non-deployment constraints for sensitive domains. Data, results, and code will be available on github.com under the MIT license.

A central idea in mechanistic interpretability is that neural networks represent more features than they have dimensions, arranging them in superposition to form an over-complete basis. This framing has been influential, motivating dictionary learning approaches such as sparse autoencoders. However, superposition has mostly been studied in idealized settings where features are sparse and uncorrelated. In these settings, superposition is typically understood as introducing interference that must be minimized geometrically and filtered out by non-linearities such as ReLUs, yielding local structures like regular polytopes. We show that this account is incomplete for realistic data by introducing Bag-of-Words Superposition (BOWS), a controlled setting to encode binary bag-of-words representations of internet text in superposition. Using BOWS, we find that when features are correlated, interference can be constructive rather than just noise to be filtered out. This is achieved by arranging features according to their co-activation patterns, making interference between active features constructive, while still using ReLUs to avoid false positives. We show that this kind of arrangement is more prevalent in models trained with weight decay and naturally gives rise to semantic clusters and cyclical structures which have been observed in real language models yet were not explained by the standard picture of superposition. Code for this paper can be found at https://github.com/LucasPrietoAl/correlations-feature-geometry.

Large Language Models (LLMs) have achieved remarkable success, underpinning diverse AI applications. However, they often suffer from performance degradation due to factors such as catastrophic forgetting during Supervised Fine-Tuning (SFT), quantization, and pruning. In this work, we introduce a performance recovery framework based on Self-Distillation Fine-Tuning (SDFT) that effectively restores model capabilities. Complementing this practical contribution, we provide a rigorous theoretical explanation for the underlying recovery mechanism. We posit that an LLM's generative capability fundamentally relies on the high-dimensional manifold constructed by its hidden layers. To investigate this, we employ Centered Kernel Alignment (CKA) to quantify the alignment between student and teacher activation trajectories, leveraging its invariance to orthogonal transformations and scaling. Our experiments demonstrate a strong correlation between performance recovery and manifold alignment, substantiating the claim that self-distillation effectively aligns the student's high-dimensional manifold with the optimal structure represented by the teacher. This study bridges the gap between practical recovery frameworks and geometric representation theory, offering new insights into the internal mechanisms of self-distillation.

High-Dimensional Low-Sample Size (HDLSS) tabular domains (e.g., omics) are characterized by n ll m, where n = number of samples, and m = number of features. Such domains often exhibit strong local correlation groups, sparse cross-group dependencies, heavy-tailed non-Gaussian marginals, heteroscedastic noise, and structured missingness, making direct density learning in R^m ill-conditioned since n ll m. We propose BSTabDiff, a block-subunit generative framework that partitions the m observed features into M latent blocks (M ll m) and generates each block via a shared low-dimensional subunit variable, concentrating global dependence learning in the compact block-latent space R^M while decoding to the full feature space with copula-driven dependence, flexible per-feature marginals, and explicit missingness mechanisms. BSTabDiff supports modern deep priors on block latents, including diffusion and normalizing flows, enabling stable synthesis and controllable benchmark generation in the HDLSS regime. Empirically, BSTabDiff produces more realistic and stable high-dimensional synthetic data when compared with unstructured tabular generators on HDLSS data.

A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of decoding algorithm remain unclear. Previous works only compare decoding algorithms in narrow scenarios and their findings do not generalize across tasks. To better structure the discussion, we introduce a taxonomy that groups decoding strategies based on their implicit assumptions about how well the model's likelihood is aligned with the task-specific notion of utility. We argue that this taxonomy allows a broader view of the decoding problem and can lead to generalizable statements because it is grounded on the interplay between the decoding algorithms and the likelihood-utility misalignment. Specifically, by analyzing the correlation between the likelihood and the utility of predictions across a diverse set of tasks, we provide the first empirical evidence supporting the proposed taxonomy, and a set of principles to structure reasoning when choosing a decoding algorithm. Crucially, our analysis is the first one to relate likelihood-based decoding strategies with strategies that rely on external information such as value-guided methods and prompting, and covers the most diverse set of tasks up-to-date.

Traditionally, training neural networks to perform semantic segmentation required expensive human-made annotations. But more recently, advances in the field of unsupervised learning have made significant progress on this issue and towards closing the gap to supervised algorithms. To achieve this, semantic knowledge is distilled by learning to correlate randomly sampled features from images across an entire dataset. In this work, we build upon these advances by incorporating information about the structure of the scene into the training process through the use of depth information. We achieve this by (1) learning depth-feature correlation by spatially correlate the feature maps with the depth maps to induce knowledge about the structure of the scene and (2) implementing farthest-point sampling to more effectively select relevant features by utilizing 3D sampling techniques on depth information of the scene. Finally, we demonstrate the effectiveness of our technical contributions through extensive experimentation and present significant improvements in performance across multiple benchmark datasets.

Multi-band radiomap reconstruction (MB-RMR) is a key component in wireless communications for tasks such as spectrum management and network planning. However, traditional machine-learning-based MB-RMR methods, which rely heavily on simulated data or complete structured ground truth, face significant deployment challenges. These challenges stem from the differences between simulated and actual data, as well as the scarcity of real-world measurements. To address these challenges, our study presents RadioGAT, a novel framework based on Graph Attention Network (GAT) tailored for MB-RMR within a single area, eliminating the need for multi-region datasets. RadioGAT innovatively merges model-based spatial-spectral correlation encoding with data-driven radiomap generalization, thus minimizing the reliance on extensive data sources. The framework begins by transforming sparse multi-band data into a graph structure through an innovative encoding strategy that leverages radio propagation models to capture the spatial-spectral correlation inherent in the data. This graph-based representation not only simplifies data handling but also enables tailored label sampling during training, significantly enhancing the framework's adaptability for deployment. Subsequently, The GAT is employed to generalize the radiomap information across various frequency bands. Extensive experiments using raytracing datasets based on real-world environments have demonstrated RadioGAT's enhanced accuracy in supervised learning settings and its robustness in semi-supervised scenarios. These results underscore RadioGAT's effectiveness and practicality for MB-RMR in environments with limited data availability.

To investigate whether the pleurae, airways and vessels surrounding a nodule on non-contrast computed tomography (CT) can discriminate benign and malignant pulmonary nodules. The LIDC-IDRI dataset, one of the largest publicly available CT database, was exploited for study. A total of 1556 nodules from 694 patients were involved in statistical analysis, where nodules with average scorings <3 and >3 were respectively denoted as benign and malignant. Besides, 339 nodules from 113 patients with diagnosis ground-truth were independently evaluated. Computer algorithms were developed to segment pulmonary structures and quantify the distances to pleural surface, airways and vessels, as well as the counting number and normalized volume of airways and vessels near a nodule. Odds ratio (OR) and Chi-square (\chi^2) testing were performed to demonstrate the correlation between features of surrounding structures and nodule malignancy. A non-parametric receiver operating characteristic (ROC) analysis was conducted in logistic regression to evaluate discrimination ability of each structure. For benign and malignant groups, the average distances from nodules to pleural surface, airways and vessels are respectively (6.56, 5.19), (37.08, 26.43) and (1.42, 1.07) mm. The correlation between nodules and the counting number of airways and vessels that contact or project towards nodules are respectively (OR=22.96, \chi^2=105.04) and (OR=7.06, \chi^2=290.11). The correlation between nodules and the volume of airways and vessels are (OR=9.19, \chi^2=159.02) and (OR=2.29, \chi^2=55.89). The areas-under-curves (AUCs) for pleurae, airways and vessels are respectively 0.5202, 0.6943 and 0.6529. Our results show that malignant nodules are often surrounded by more pulmonary structures compared with benign ones, suggesting that features of these structures could be viewed as lung cancer biomarkers.

Counterfactual reasoning is crucial for robust video understanding but remains underexplored in existing multimodal benchmarks. In this paper, we introduce COVER (\underline{CO}unterfactual \underline{V}id\underline{E}o \underline{R}easoning), a multidimensional multimodal benchmark that systematically evaluates MLLMs across the abstract-concrete and perception-cognition dimensions. Beyond prior multimodal benchmarks, COVER decomposes complex queries into structured sub-questions, enabling fine-grained reasoning analysis. Experiments on commercial and open-source models reveal a strong correlation between sub-question accuracy and counterfactual reasoning performance, highlighting the role of structured inference in video understanding. Furthermore, our results suggest a key insight: enhancing the reasoning capability of models is essential for improving the robustness of video understanding. COVER establishes a new standard for assessing MLLMs' logical reasoning abilities in dynamic environments. Our work is available at https://github.com/gongyifan-hash/COVER-Benchmark.

Evaluating the quality of tables generated by large language models (LLMs) remains an open challenge: existing metrics either flatten tables into text, ignoring structure, or rely on fixed references that limit generalization. We present TabReX, a reference-less, property-driven framework for evaluating tabular generation via graph-based reasoning. TabReX converts both source text and generated tables into canonical knowledge graphs, aligns them through an LLM-guided matching process, and computes interpretable, rubric-aware scores that quantify structural and factual fidelity. The resulting metric provides controllable trade-offs between sensitivity and specificity, yielding human-aligned judgments and cell-level error traces. To systematically asses metric robustness, we introduce TabReX-Bench, a large-scale benchmark spanning six domains and twelve planner-driven perturbation types across three difficulty tiers. Empirical results show that TabReX achieves the highest correlation with expert rankings, remains stable under harder perturbations, and enables fine-grained model-vs-prompt analysis establishing a new paradigm for trustworthy, explainable evaluation of structured generation systems.

Table structure recognition is a key task in document analysis. However, the geometric deformation in deformed tables causes a weak correlation between content information and structure, resulting in downstream tasks not being able to obtain accurate content information. To obtain fine-grained spatial coordinates of cells, we propose the OG-HFYOLO model, which enhances the edge response by Gradient Orientation-aware Extractor, combines a Heterogeneous Kernel Cross Fusion module and a scale-aware loss function to adapt to multi-scale objective features, and introduces mask-driven non-maximal suppression in the post-processing, which replaces the traditional bounding box suppression mechanism. Furthermore, we also propose a data generator, filling the gap in the dataset for fine-grained deformation table cell spatial coordinate localization, and derive a large-scale dataset named Deformation Wired Table (DWTAL). Experiments show that our proposed model demonstrates excellent segmentation accuracy on all mainstream instance segmentation models. The dataset and the source code are open source: https://github.com/justliulong/OGHFYOLO.

Contrastive Language-Image Pre-training (CLIP) excels in global alignment with language but exhibits limited sensitivity to spatial information, leading to strong performance in zero-shot classification tasks but underperformance in tasks requiring precise spatial understanding. Recent approaches have introduced Region-Language Alignment (RLA) to enhance CLIP's performance in dense multimodal tasks by aligning regional visual representations with corresponding text inputs. However, we find that CLIP ViTs fine-tuned with RLA suffer from notable loss in spatial awareness, which is crucial for dense prediction tasks. To address this, we propose the Spatial Correlation Distillation (SCD) framework, which preserves CLIP's inherent spatial structure and mitigates the above degradation. To further enhance spatial correlations, we introduce a lightweight Refiner that extracts refined correlations directly from CLIP before feeding them into SCD, based on an intriguing finding that CLIP naturally captures high-quality dense features. Together, these components form a robust distillation framework that enables CLIP ViTs to integrate both visual-language and visual-centric improvements, achieving state-of-the-art results across various open-vocabulary dense prediction benchmarks.

This paper revisits recent code similarity evaluation metrics, particularly focusing on the application of Abstract Syntax Tree (AST) editing distance in diverse programming languages. In particular, we explore the usefulness of these metrics and compare them to traditional sequence similarity metrics. Our experiments showcase the effectiveness of AST editing distance in capturing intricate code structures, revealing a high correlation with established metrics. Furthermore, we explore the strengths and weaknesses of AST editing distance and prompt-based GPT similarity scores in comparison to BLEU score, execution match, and Jaccard Similarity. We propose, optimize, and publish an adaptable metric that demonstrates effectiveness across all tested languages, representing an enhanced version of Tree Similarity of Edit Distance (TSED).

The relationship between tokenizer algorithm (e.g., Byte-Pair Encoding (BPE), Unigram), morphological alignment, tokenization quality (e.g., compression efficiency), and downstream performance remains largely unclear, particularly for languages with complex morphology. In this paper, we conduct a comprehensive evaluation of tokenizers using small-sized BERT models -- from pre-training through fine-tuning -- for Telugu (agglutinative), along with preliminary evaluation in Hindi (primarily fusional with some agglutination) and English (fusional). To evaluate morphological alignment of tokenizers in Telugu, we create a dataset containing gold morpheme segmentations of 600 derivational and 7000 inflectional word forms. Our experiments reveal two key findings for Telugu. First, the choice of tokenizer algorithm is the most significant factor influencing performance, with Unigram-based tokenizers consistently outperforming BPE across most settings. Second, while better morphological alignment shows a moderate, positive correlation with performance on text classification and structure prediction tasks, its impact is secondary to the tokenizer algorithm. Notably, hybrid approaches that use morphological information for pre-segmentation significantly boost the performance of BPE, though not Unigram. Our results further showcase the need for comprehensive intrinsic evaluation metrics for tokenizers that could explain downstream performance trends consistently.

Polarization analysis in x-ray spectroscopy provides an orientation dependent sensitivity to local bonding environments. For a cluster of atoms, polarization sensitivity is most often discussed through the lens of point group symmetries. However, this is a discrete, qualitative method of classifying clusters, and it does little to indicate the degree of spectral anisotropy. Here we adopt a random forest model for quantitative prediction of spectral anisotropy. Its input relies on simplified local geometric and chemical information that can be obtained from any crystal structure file. The model is trained on over 10,000 experimentally realized transition metal structures from the Materials Project, with the target being VtC-XES calculated using the real space Green's function code FEFF. We find that the model can strongly predict the degree of spectral anisotropy, with the primary factors being derived from the spatial moments of ligands in a cluster.

For tasks like code synthesis from natural language, code retrieval, and code summarization, data-driven models have shown great promise. However, creating these models require parallel data between natural language (NL) and code with fine-grained alignments. Stack Overflow (SO) is a promising source to create such a data set: the questions are diverse and most of them have corresponding answers with high-quality code snippets. However, existing heuristic methods (e.g., pairing the title of a post with the code in the accepted answer) are limited both in their coverage and the correctness of the NL-code pairs obtained. In this paper, we propose a novel method to mine high-quality aligned data from SO using two sets of features: hand-crafted features considering the structure of the extracted snippets, and correspondence features obtained by training a probabilistic model to capture the correlation between NL and code using neural networks. These features are fed into a classifier that determines the quality of mined NL-code pairs. Experiments using Python and Java as test beds show that the proposed method greatly expands coverage and accuracy over existing mining methods, even when using only a small number of labeled examples. Further, we find that reasonable results are achieved even when training the classifier on one language and testing on another, showing promise for scaling NL-code mining to a wide variety of programming languages beyond those for which we are able to annotate data.

Large scale text-guided diffusion models have garnered significant attention due to their ability to synthesize diverse images that convey complex visual concepts. This generative power has more recently been leveraged to perform text-to-3D synthesis. In this work, we present a technique that harnesses the power of latent diffusion models for editing existing 3D objects. Our method takes oriented 2D images of a 3D object as input and learns a grid-based volumetric representation of it. To guide the volumetric representation to conform to a target text prompt, we follow unconditional text-to-3D methods and optimize a Score Distillation Sampling (SDS) loss. However, we observe that combining this diffusion-guided loss with an image-based regularization loss that encourages the representation not to deviate too strongly from the input object is challenging, as it requires achieving two conflicting goals while viewing only structure-and-appearance coupled 2D projections. Thus, we introduce a novel volumetric regularization loss that operates directly in 3D space, utilizing the explicit nature of our 3D representation to enforce correlation between the global structure of the original and edited object. Furthermore, we present a technique that optimizes cross-attention volumetric grids to refine the spatial extent of the edits. Extensive experiments and comparisons demonstrate the effectiveness of our approach in creating a myriad of edits which cannot be achieved by prior works.

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination of two optimization objectives, we propose a novel semantic graph representation (SGR) method to formulate the joint optimization of the two heterogeneous sources into a common high-order proximity based framework. Concretely, we first construct an auxiliary weighted graph, where the complex homogeneous and heterogeneous relations among nodes and attributes in the original graph are comprehensively encoded. Conventional embedding methods that consider high-order topology proximities can then be easily applied to the newly constructed graph to learn the representations of both node and attribute while capturing the nonlinear high-order intrinsic correlation inside or among graph structure and semantic. The learned attribute embeddings can also effectively support some semantic-oriented inference tasks (e.g., semantic community detection), helping to reveal the graph's deep semantic. The effectiveness of SGR is further verified on a series of real graphs, where it achieves impressive performance over other baselines.

Unsupervised constituency parsers organize phrases within a sentence into a tree-shaped syntactic constituent structure that reflects the organization of sentence semantics. However, the traditional objective of maximizing sentence log-likelihood (LL) does not explicitly account for the close relationship between the constituent structure and the semantics, resulting in a weak correlation between LL values and parsing accuracy. In this paper, we introduce a novel objective for training unsupervised parsers: maximizing the information between constituent structures and sentence semantics (SemInfo). We introduce a bag-of-substrings model to represent the semantics and apply the probability-weighted information metric to estimate the SemInfo. Additionally, we develop a Tree Conditional Random Field (TreeCRF)-based model to apply the SemInfo maximization objective to Probabilistic Context-Free Grammar (PCFG) induction, the state-of-the-art method for unsupervised constituency parsing. Experiments demonstrate that SemInfo correlates more strongly with parsing accuracy than LL. Our algorithm significantly enhances parsing accuracy by an average of 7.85 points across five PCFG variants and in four languages, achieving new state-of-the-art results in three of the four languages.

In this paper, we present a hypergraph neural networks (HGNN) framework for data representation learning, which can encode high-order data correlation in a hypergraph structure. Confronting the challenges of learning representation for complex data in real practice, we propose to incorporate such data structure in a hypergraph, which is more flexible on data modeling, especially when dealing with complex data. In this method, a hyperedge convolution operation is designed to handle the data correlation during representation learning. In this way, traditional hypergraph learning procedure can be conducted using hyperedge convolution operations efficiently. HGNN is able to learn the hidden layer representation considering the high-order data structure, which is a general framework considering the complex data correlations. We have conducted experiments on citation network classification and visual object recognition tasks and compared HGNN with graph convolutional networks and other traditional methods. Experimental results demonstrate that the proposed HGNN method outperforms recent state-of-the-art methods. We can also reveal from the results that the proposed HGNN is superior when dealing with multi-modal data compared with existing methods.

Normalization layers are crucial for deep learning, but their Euclidean formulations are inadequate for data on manifolds. On the other hand, many Riemannian manifolds in machine learning admit gyro-structures, enabling principled extensions of Euclidean neural networks to non-Euclidean domains. Inspired by this, we introduce GyroBN, a principled Riemannian batch normalization framework for gyrogroups. We establish two necessary conditions, namely pseudo-reduction and gyroisometric gyrations, that guarantee GyroBN with theoretical control over sample statistics, and show that these conditions hold for all known gyrogroups in machine learning. Our framework also incorporates several existing Riemannian normalization methods as special cases. We further instantiate GyroBN on seven representative geometries, including the Grassmannian, five constant curvature spaces, and the correlation manifold, and derive novel gyro and Riemannian structures to enable these instantiations. Experiments across these geometries demonstrate the effectiveness of GyroBN. The code is available at https://github.com/GitZH-Chen/GyroBN.git.

Finding out the computational redundant part of a trained Deep Neural Network (DNN) is the key question that pruning algorithms target on. Many algorithms try to predict model performance of the pruned sub-nets by introducing various evaluation methods. But they are either inaccurate or very complicated for general application. In this work, we present a pruning method called EagleEye, in which a simple yet efficient evaluation component based on adaptive batch normalization is applied to unveil a strong correlation between different pruned DNN structures and their final settled accuracy. This strong correlation allows us to fast spot the pruned candidates with highest potential accuracy without actually fine-tuning them. This module is also general to plug-in and improve some existing pruning algorithms. EagleEye achieves better pruning performance than all of the studied pruning algorithms in our experiments. Concretely, to prune MobileNet V1 and ResNet-50, EagleEye outperforms all compared methods by up to 3.8%. Even in the more challenging experiments of pruning the compact model of MobileNet V1, EagleEye achieves the highest accuracy of 70.9% with an overall 50% operations (FLOPs) pruned. All accuracy results are Top-1 ImageNet classification accuracy. Source code and models are accessible to open-source community https://github.com/anonymous47823493/EagleEye .

Recent years have seen growing interest in 3D human faces modelling due to its wide applications in digital human, character generation and animation. Existing approaches overwhelmingly emphasized on modeling the exterior shapes, textures and skin properties of faces, ignoring the inherent correlation between inner skeletal structures and appearance. In this paper, we present SCULPTOR, 3D face creations with Skeleton Consistency Using a Learned Parametric facial generaTOR, aiming to facilitate easy creation of both anatomically correct and visually convincing face models via a hybrid parametric-physical representation. At the core of SCULPTOR is LUCY, the first large-scale shape-skeleton face dataset in collaboration with plastic surgeons. Named after the fossils of one of the oldest known human ancestors, our LUCY dataset contains high-quality Computed Tomography (CT) scans of the complete human head before and after orthognathic surgeries, critical for evaluating surgery results. LUCY consists of 144 scans of 72 subjects (31 male and 41 female) where each subject has two CT scans taken pre- and post-orthognathic operations. Based on our LUCY dataset, we learn a novel skeleton consistent parametric facial generator, SCULPTOR, which can create the unique and nuanced facial features that help define a character and at the same time maintain physiological soundness. Our SCULPTOR jointly models the skull, face geometry and face appearance under a unified data-driven framework, by separating the depiction of a 3D face into shape blend shape, pose blend shape and facial expression blend shape. SCULPTOR preserves both anatomic correctness and visual realism in facial generation tasks compared with existing methods. Finally, we showcase the robustness and effectiveness of SCULPTOR in various fancy applications unseen before.

High frequency pedestrian motion forecasting when interacting with autonomous vehicles (AVs) can be enhanced through the use of behavioural frameworks, such as discrete choice models, that can explicitly account for correlation among similar movement alternatives. We formulate the pedestrian next step choice as a spatial discrete choice defined by a grid of speed adjustment and heading change. Using naturalistic pedestrian-AV encounters from nuScenes and Argoverse 2 (1 sec decision interval), we estimate a multinomial logit baseline and four spatial generalized extreme value (GEV) specifications (SCL, GSCL, SCNL, and GSCNL). We then compare them to a residual neural network logit (ResLogit) model that learns cross alternative effects while retaining an interpretable linear utility component. Across the evaluated data, spatial GEV structures yield only marginal improvements over multinomial logit, whereas ResLogit achieves a substantially better fit and produces behaviourally coherent errors concentrated among neighbouring grid cells. The results suggest that in dense, high frequency spatial choice sets, learning based residual corrections can capture proximity induced correlation more effectively than analyst specified GEV nesting structures, while maintaining interpretability.

The accelerating pace of scientific publishing makes it increasingly difficult for researchers to stay current. We present Paper Espresso, an open-source platform that automatically discovers, summarizes, and analyzes trending arXiv papers. The system uses large language models (LLMs) to generate structured summaries with topical labels and keywords, and provides multi-granularity trend analysis at daily, weekly, and monthly scales through LLM-driven topic consolidation. Over 35 months of continuous deployment, Paper Espresso has processed over 13,300 papers and publicly released all structured metadata, revealing rich dynamics in the AI research landscape: a mid-2025 surge in reinforcement learning for LLM reasoning, non-saturating topic emergence (6,673 unique topics), and a positive correlation between topic novelty and community engagement (2.0x median upvotes for the most novel papers). A live demo is available at https://huggingface.co/spaces/Elfsong/Paper_Espresso.

Mental disorders are highly prevalent worldwide, but the shortage of psychiatrists and the inherent subjectivity of interview-based diagnosis create substantial barriers to timely and consistent mental-health assessment. Progress in AI-assisted psychiatric diagnosis is constrained by the absence of benchmarks that simultaneously provide realistic patient simulation, clinician-verified diagnostic labels, and support for dynamic multi-turn consultation. We present LingxiDiagBench, a large-scale multi-agent benchmark that evaluates LLMs on both static diagnostic inference and dynamic multi-turn psychiatric consultation in Chinese. At its core is LingxiDiag-16K, a dataset of 16,000 EMR-aligned synthetic consultation dialogues designed to reproduce real clinical demographic and diagnostic distributions across 12 ICD-10 psychiatric categories. Through extensive experiments across state-of-the-art LLMs, we establish key findings: (1) although LLMs achieve high accuracy on binary depression--anxiety classification (up to 92.3%), performance deteriorates substantially for depression--anxiety comorbidity recognition (43.0%) and 12-way differential diagnosis (28.5%); (2) dynamic consultation often underperforms static evaluation, indicating that ineffective information-gathering strategies significantly impair downstream diagnostic reasoning; (3) consultation quality assessed by LLM-as-a-Judge shows only moderate correlation with diagnostic accuracy, suggesting that well-structured questioning alone does not ensure correct diagnostic decisions. We release LingxiDiag-16K and the full evaluation framework to support reproducible research at https://github.com/Lingxi-mental-health/LingxiDiagBench.

Latent Diffusion Models (LDMs) generate high-quality images by operating in a compressed latent space, typically obtained through image tokenizers such as Variational Autoencoders (VAEs). In pursuit of a generation-friendly VAE, recent studies have explored leveraging Vision Foundation Models (VFMs) as representation alignment targets for VAEs, mirroring the approach commonly adopted for LDMs. Although this yields certain performance gains, using the same alignment target for both VAEs and LDMs overlooks their fundamentally different representational requirements. We advocate that while LDMs benefit from latents retaining high-level semantic concepts, VAEs should excel in semantic disentanglement, enabling encoding of attribute-level information in a structured way. To address this, we propose the Semantic disentangled VAE (Send-VAE), explicitly optimized for disentangled representation learning through aligning its latent space with the semantic hierarchy of pre-trained VFMs. Our approach employs a non-linear mapper network to transform VAE latents, aligning them with VFMs to bridge the gap between attribute-level disentanglement and high-level semantics, facilitating effective guidance for VAE learning. We evaluate semantic disentanglement via linear probing on attribute prediction tasks, showing strong correlation with improved generation performance. Finally, using Send-VAE, we train flow-based transformers SiTs; experiments show Send-VAE significantly speeds up training and achieves a state-of-the-art FID of 1.21 and 1.75 with and without classifier-free guidance on ImageNet 256x256.

We introduce STAR, a text-to-image model that employs a scale-wise auto-regressive paradigm. Unlike VAR, which is constrained to class-conditioned synthesis for images up to 256times256, STAR enables text-driven image generation up to 1024times1024 through three key designs. First, we introduce a pre-trained text encoder to extract and adopt representations for textual constraints, enhancing details and generalizability. Second, given the inherent structural correlation across different scales, we leverage 2D Rotary Positional Encoding (RoPE) and tweak it into a normalized version, ensuring consistent interpretation of relative positions across token maps and stabilizing the training process. Third, we observe that simultaneously sampling all tokens within a single scale can disrupt inter-token relationships, leading to structural instability, particularly in high-resolution generation. To address this, we propose a novel stable sampling method that incorporates causal relationships into the sampling process, ensuring both rich details and stable structures. Compared to previous diffusion models and auto-regressive models, STAR surpasses existing benchmarks in fidelity, text-image consistency, and aesthetic quality, requiring just 2.21s for 1024times1024 images on A100. This highlights the potential of auto-regressive methods in high-quality image synthesis, offering new directions for the text-to-image generation.

The variational autoencoder (VAE) framework remains a popular option for training unsupervised generative models, especially for discrete data where generative adversarial networks (GANs) require workaround to create gradient for the generator. In our work modeling US postal addresses, we show that our discrete VAE with tree recursive architecture demonstrates limited capability of capturing field correlations within structured data, even after overcoming the challenge of posterior collapse with scheduled sampling and tuning of the KL-divergence weight beta. Worse, VAE seems to have difficulty mapping its generated samples to the latent space, as their VAE loss lags behind or even increases during the training process. Motivated by this observation, we show that augmenting training data with generated variants (augmented training) and training a VAE with multiple values of beta simultaneously (multiscale VAE) both improve the generation quality of VAE. Despite their differences in motivation and emphasis, we show that augmented training and multiscale VAE are actually connected and have similar effects on the model.

Diffusion models have emerged as powerful generative models in the text-to-image domain. This paper studies their application as observation-to-action models for imitating human behaviour in sequential environments. Human behaviour is stochastic and multimodal, with structured correlations between action dimensions. Meanwhile, standard modelling choices in behaviour cloning are limited in their expressiveness and may introduce bias into the cloned policy. We begin by pointing out the limitations of these choices. We then propose that diffusion models are an excellent fit for imitating human behaviour, since they learn an expressive distribution over the joint action space. We introduce several innovations to make diffusion models suitable for sequential environments; designing suitable architectures, investigating the role of guidance, and developing reliable sampling strategies. Experimentally, diffusion models closely match human demonstrations in a simulated robotic control task and a modern 3D gaming environment.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

Partial correlations quantify linear association between two variables adjusting for the influence of the remaining variables. They form the backbone for graphical models and are readily obtained from the inverse of the covariance matrix. For compositional data, the covariance structure is specified from log ratios of variables, so unless we try to "open" the data via a normalization, this implies changes in the definition and interpretation of partial correlations. In the present work, we elucidate how results derived by Aitchison (1986) lead to a natural definition of partial correlation that has a number of advantages over current measures of association. For this, we show that the residuals of log-ratios between a variable with a reference, when adjusting for all remaining variables including the reference, are reference-independent. Since the reference itself can be controlled for, correlations between residuals are defined for the variables directly without the necessity to recur to ratios except when specifying which variables are partialled out. Thus, perhaps surprisingly, partial correlations do not have the problems commonly found with measures of pairwise association on compositional data. They are well-defined between two variables, are properly scaled, and allow for negative association. By design, they are subcompositionally incoherent, but they share this property with conventional partial correlations (where results change when adjusting for the influence of fewer variables). We discuss the equivalence with normalization-based approaches whenever the normalizing variables are controlled for. We also discuss the partial variances and correlations we obtain from a previously studied data set of Roman glass cups.

We used a dataset of daily Bloomberg Financial Market Summaries from 2010 to 2023, reposted on large financial media, to determine how global news headlines may affect stock market movements using ChatGPT and a two-stage prompt approach. We document a statistically significant positive correlation between the sentiment score and future equity market returns over short to medium term, which reverts to a negative correlation over longer horizons. Validation of this correlation pattern across multiple equity markets indicates its robustness across equity regions and resilience to non-linearity, evidenced by comparison of Pearson and Spearman correlations. Finally, we provide an estimate of the optimal horizon that strikes a balance between reactivity to new information and correlation.

We study the problem of detecting the correlation between two Gaussian databases XinR^{ntimes d} and Y^{ntimes d}, each composed of n users with d features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation sigma over the set of n users (or, row permutation), such that X is rho-correlated with Y^sigma, a permuted version of Y. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of n and d. Specifically, we prove that if rho^2dto0, as dtoinfty, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of n. This compliments the performance of a simple test that thresholds the sum all entries of X^TY. Furthermore, when d is fixed, we prove that strong detection (vanishing error probability) is impossible for any rho<rho^star, where rho^star is an explicit function of d, while weak detection is again impossible as long as rho^2dto0. These results close significant gaps in current recent related studies.

Collecting large, aligned cross-modal datasets for music-flavor research is difficult because perceptual experiments are costly and small by design. We address this bottleneck through two complementary experiments. The first tests whether audio-flavor correlations, feature-importance rankings, and latent-factor structure transfer from an experimental soundtracks collection (257~tracks with human annotations) to a large FMA-derived corpus (sim49,300 segments with synthetic labels). The second validates computational flavor targets -- derived from food chemistry via a reproducible pipeline -- against human perception in an online listener study (49~participants, 20~tracks). Results from both experiments converge: the quantitative transfer analysis confirms that cross-modal structure is preserved across supervision regimes, and the perceptual evaluation shows significant alignment between computational targets and listener ratings (permutation p<0.0001, Mantel r=0.45, Procrustes m^2=0.51). Together, these findings support the conclusion that sonic seasoning effects are present in synthetic FMA annotations. We release datasets and companion code to support reproducible cross-modal AI research.

The "maximum similarity correlation" definition introduced in this study is motivated by the seminal work of Szekely et al on "distance covariance" (Ann. Statist. 2007, 35: 2769-2794; Ann. Appl. Stat. 2009, 3: 1236-1265). Instead of using Euclidean distances "d" as in Szekely et al, we use "similarity", which can be defined as "exp(-d/s)", where the scaling parameter s>0 controls how rapidly the similarity falls off with distance. Scale parameters are chosen by maximizing the similarity correlation. The motivation for using "similarity" originates in spectral clustering theory (see e.g. Ng et al 2001, Advances in Neural Information Processing Systems 14: 849-856). We show that a particular form of similarity correlation is asymptotically equivalent to distance correlation for large values of the scale parameter. Furthermore, we extend similarity correlation to coherence between complex valued vectors, including its partitioning into real and imaginary contributions. Several toy examples are used for comparing distance and similarity correlations. For instance, points on a noiseless straight line give distance and similarity correlation values equal to 1; but points on a noiseless circle produces near zero distance correlation (dCorr=0.02) while the similarity correlation is distinctly non zero (sCorr=0.36). In distinction to the distance approach, similarity gives more importance to small distances, which emphasizes the local properties of functional relations. This paper represents a preliminary empirical study, showing that the novel similarity association has some distinct practical advantages over distance based association.For the sake of reproducible research, the software code implementing all methods here (using lazarus free-pascal "www.lazarus.freepascal.org"), including all test data, are freely available at: "sites.google.com/site/pascualmarqui/home/similaritycovariance".

Graph structure learning aims to learn connectivity in a graph from data. It is particularly important for many computer vision related tasks since no explicit graph structure is available for images for most cases. A natural way to construct a graph among images is to treat each image as a node and assign pairwise image similarities as weights to corresponding edges. It is well known that pairwise similarities between images are sensitive to the noise in feature representations, leading to unreliable graph structures. We address this problem from the viewpoint of statistical tests. By viewing the feature vector of each node as an independent sample, the decision of whether creating an edge between two nodes based on their similarity in feature representation can be thought as a {it single} statistical test. To improve the robustness in the decision of creating an edge, multiple samples are drawn and integrated by {it multiple} statistical tests to generate a more reliable similarity measure, consequentially more reliable graph structure. The corresponding elegant matrix form named B-Attention is designed for efficiency. The effectiveness of multiple tests for graph structure learning is verified both theoretically and empirically on multiple clustering and ReID benchmark datasets. Source codes are available at https://github.com/Thomas-wyh/B-Attention.

The latest regularized Neural Radiance Field (NeRF) approaches produce poor geometry and view extrapolation for multiview stereo (MVS) benchmarks such as ETH3D. In this paper, we aim to create 3D models that provide accurate geometry and view synthesis, partially closing the large geometric performance gap between NeRF and traditional MVS methods. We propose a patch-based approach that effectively leverages monocular surface normal and relative depth predictions. The patch-based ray sampling also enables the appearance regularization of normalized cross-correlation (NCC) and structural similarity (SSIM) between randomly sampled virtual and training views. We further show that "density restrictions" based on sparse structure-from-motion points can help greatly improve geometric accuracy with a slight drop in novel view synthesis metrics. Our experiments show 4x the performance of RegNeRF and 8x that of FreeNeRF on average F1@2cm for ETH3D MVS benchmark, suggesting a fruitful research direction to improve the geometric accuracy of NeRF-based models, and sheds light on a potential future approach to enable NeRF-based optimization to eventually outperform traditional MVS.

3D modeling is moving from virtual to physical. Existing 3D generation primarily emphasizes geometries and textures while neglecting physical-grounded modeling. Consequently, despite the rapid development of 3D generative models, the synthesized 3D assets often overlook rich and important physical properties, hampering their real-world application in physical domains like simulation and embodied AI. As an initial attempt to address this challenge, we propose PhysX, an end-to-end paradigm for physical-grounded 3D asset generation. 1) To bridge the critical gap in physics-annotated 3D datasets, we present PhysXNet - the first physics-grounded 3D dataset systematically annotated across five foundational dimensions: absolute scale, material, affordance, kinematics, and function description. In particular, we devise a scalable human-in-the-loop annotation pipeline based on vision-language models, which enables efficient creation of physics-first assets from raw 3D assets.2) Furthermore, we propose PhysXGen, a feed-forward framework for physics-grounded image-to-3D asset generation, injecting physical knowledge into the pre-trained 3D structural space. Specifically, PhysXGen employs a dual-branch architecture to explicitly model the latent correlations between 3D structures and physical properties, thereby producing 3D assets with plausible physical predictions while preserving the native geometry quality. Extensive experiments validate the superior performance and promising generalization capability of our framework. All the code, data, and models will be released to facilitate future research in generative physical AI.

The last decade has seen a marked shift in how the internal structure of hadrons is understood. Modern experimental facilities, new theoretical techniques for the continuum bound-state problem and progress with lattice-regularised QCD have provided strong indications that soft quark+quark (diquark) correlations play a crucial role in hadron physics. For example, theory indicates that the appearance of such correlations is a necessary consequence of dynamical chiral symmetry breaking, viz. a corollary of emergent hadronic mass that is responsible for almost all visible mass in the universe; experiment has uncovered signals for such correlations in the flavour-separation of the proton's electromagnetic form factors; and phenomenology suggests that diquark correlations might be critical to the formation of exotic tetra- and penta-quark hadrons. A broad spectrum of such information is evaluated herein, with a view to consolidating the facts and therefrom moving toward a coherent, unified picture of hadron structure and the role that diquark correlations might play.

We study a kinematical consequence of the Hopf-algebraic momentum composition law in κ-Minkowski spacetime. The same curved momentum space can be described in different coordinates. In the bicrossproduct basis the ordered-plane-wave labels are the translation-generator eigenvalues, so the relevant map is one-to-one. In the classical basis, instead, the translation eigenvalues P_μ are nonlinearly related to the ordered-plane-wave labels p_μ. This relation can fail to be globally one-to-one in a high-momentum region. When a given classical-basis four-momentum admits more than one real auxiliary preimage, the branch-sensitive quantity P_+equiv P_0+P_4=κe^{p_0/κ} enters the coproduct and resolves the branches in two-particle states. Imposing the vanishing total-momentum constraint therefore gives branch-dependent κ-deformed back-to-back momentum correlations. In a single-branch regime this is just a deformed correlated product, while in a multibranch regime a state specified only by P_μ can be expanded into distinct auxiliary branches. If P_μ are taken as the directly meaningful momenta, the physical content is the resulting deformed correlation pattern. If the auxiliary variables p_μ are assigned operational meaning, the same constrained state can be interpreted as a superposition over different auxiliary branches. We also compare this structure with standard regular self-adjoint nonrelativistic minimal-length models and find no analogous smooth local two-real-branch inversion on their physical domains.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

In-context learning for tabular data sets strong predictive standards in observational settings; it however primarily relies on correlational structure, which becomes unreliable under distribution shift or intervention. While established methods to discover causal structure exist, they are often focused on structure identifiability and decoupled from the predictive architectures that could benefit from them. To bridge these perspectives, we study how to simultaneously infer and enforce causal structure in the form of topological variable orderings into tabular prediction. Unlike standard architectures, our model TabOrder uses causal order-constrained attention, basing predictions only on features that precede a target under a learned causal order. Similar to causal discovery methods, TabOrder learns the optimal variable ordering in an unsupervised manner through a likelihood-based objective. We justify this choice under standard functional model classes and also study how sample missingness, a common challenge in tabular data, interacts with causal direction identification. Empirically, we confirm that TabOrder recovers accurate variable orderings while addressing prediction and imputation tasks, as well as gives insight into real-world biological data under intervention.

Extracting causal relationships from observed correlations is a growing area in probabilistic reasoning, originating with the seminal work of Pearl and others from the early 1990s. This paper develops a new, categorically oriented view based on a clear distinction between syntax (string diagrams) and semantics (stochastic matrices), connected via interpretations as structure-preserving functors. A key notion in the identification of causal effects is that of an intervention, whereby a variable is forcefully set to a particular value independent of any prior propensities. We represent the effect of such an intervention as an endofunctor which performs `string diagram surgery' within the syntactic category of string diagrams. This diagram surgery in turn yields a new, interventional distribution via the interpretation functor. While in general there is no way to compute interventional distributions purely from observed data, we show that this is possible in certain special cases using a calculational tool called comb disintegration. We demonstrate the use of this technique on a well-known toy example, where we predict the causal effect of smoking on cancer in the presence of a confounding common cause. After developing this specific example, we show this technique provides simple sufficient conditions for computing interventions which apply to a wide variety of situations considered in the causal inference literature.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

In the context of C^* dynamical systems, we consider a locally compact group G acting by ^*-automorphisms on a C^* algebra U of observables, and assume a state of U that satisfies the clustering property with respect to a net of group elements of G. That is, the two-point connected correlation function vanishes in the limit on the net, when one observable is translated under the group action. Then we show that all higher order connected correlation functions (Ursell functions, or classical cumulants) and all free correlation functions (free cumulants, from free probability) vanish at the same rate in that limit. Additionally, we show that mean clustering, also called ergodicity, extends to higher order correlations. We then apply those results to equilibrium states of quantum spin lattice models. Under certain assumptions on the range of the interaction, high temperature Gibbs states are known to be exponentially clustering w.r.t. space translations. Combined with the Lieb-Robinson bound, one obtains exponential clustering for space-time translations outside the Lieb-Robinson light-cone. Therefore, by our present results, all the higher order connected and free correlation functions will vanish exponentially under space-time translations outside the Lieb-Robinson light cone, in high temperature Gibbs states. Another consequence is that their long-time averaging over a space-time ray vanishes for almost every ray velocity.

This article studies the change in the prediction accuracy of a response variable when the number of predictors increases, and all variables follow a multivariate normal distribution. Assuming that the correlations between variables are independently drawn, I show that adding variables leads to globally increasing returns to scale when the mean of the correlation distribution is zero. The speed of learning depends positively on the variance of the correlation distribution. I use simulations to study the more complex case of correlation distributions with a non-zero mean and find a pattern of decreasing returns followed by increasing returns to scale - as long as the variance of correlations is not degenerate, in which case globally decreasing returns emerge. I train a collaborative filtering algorithm using the MovieLens 1M dataset to analyze returns from adding variables in a more realistic setting and find globally increasing returns to scale across 2,000 variables. The results suggest significant scale advantages from additional variables in prediction tasks.

Tangles were originally introduced as a concept to formalize regions of high connectivity in graphs. In recent years, they have also been discovered as a link between structural graph theory and data science: when interpreting similarity in data sets as connectivity between points, finding clusters in the data essentially amounts to finding tangles in the underlying graphs. This paper further explores the potential of tangles in data sets as a means for a formal study of clusters. Real-world data often follow a normal distribution. Accounting for this, we develop a quantitative theory of tangles in data sets drawn from Gaussian mixtures. To this end, we equip the data with a graph structure that models similarity between the points and allows us to apply tangle theory to the data. We provide explicit conditions under which tangles associated with the marginal Gaussian distributions exist asymptotically almost surely. This can be considered as a sufficient formal criterion for the separabability of clusters in the data.