Daily Papers

Learned sparse retrieval systems aim to combine the effectiveness of contextualized language models with the scalability of conventional data structures such as inverted indexes. Nevertheless, the indexes generated by these systems exhibit significant deviations from the ones that use traditional retrieval models, leading to a discrepancy in the performance of existing query optimizations that were specifically developed for traditional structures. These disparities arise from structural variations in query and document statistics, including sub-word tokenization, leading to longer queries, smaller vocabularies, and different score distributions within posting lists. This paper introduces Block-Max Pruning (BMP), an innovative dynamic pruning strategy tailored for indexes arising in learned sparse retrieval environments. BMP employs a block filtering mechanism to divide the document space into small, consecutive document ranges, which are then aggregated and sorted on the fly, and fully processed only as necessary, guided by a defined safe early termination criterion or based on approximate retrieval requirements. Through rigorous experimentation, we show that BMP substantially outperforms existing dynamic pruning strategies, offering unparalleled efficiency in safe retrieval contexts and improved tradeoffs between precision and efficiency in approximate retrieval tasks.

Deep neural networks remain vulnerable to adversarial examples despite advances in architectures and training paradigms. We investigate how training data characteristics affect adversarial robustness across 36 state-of-the-art vision models spanning supervised, self-supervised, and contrastive learning approaches, trained on datasets from 1.2M to 22B images. Models were evaluated under six black-box attack categories: random perturbations, two types of geometric masks, COCO object manipulations, ImageNet-C corruptions, and ImageNet-R style shifts. Robustness follows a logarithmic scaling law with both data volume and model size: a tenfold increase in data reduces attack success rate (ASR) on average by ~3.2%, whereas a tenfold increase in model size reduces ASR on average by ~13.4%. Notably, some self-supervised models trained on curated datasets, such as DINOv2, outperform others trained on much larger but less curated datasets, challenging the assumption that scale alone drives robustness. Adversarial fine-tuning of ResNet50s improves generalization across structural variations but not across color distributions. Human evaluation reveals persistent gaps between human and machine vision. These results show that while scaling improves robustness, data quality, architecture, and training objectives play a more decisive role than raw scale in achieving broad-spectrum adversarial resilience.

Large language models (LLMs) achieve promising performance, yet their ability to reason remains poorly understood. Existing evaluations largely emphasize task-level accuracy, often conflating pattern matching with reasoning capability. We present X-RAY, an explainable reasoning analysis system that maps the LLM reasoning capability using calibrated, formally verified probes. We model reasoning capability as a function of extractable structure, operationalized through formal properties such as constraint interaction, reasoning depth, and solution-space geometry. X-Ray generates probes via formal tools with controlled structural variations, enabling precise isolation of incremental structural information through formal calibration and verification. We evaluate state-of-the-art LLMs on problems ranging from junior-level to advanced in mathematics, physics, and chemistry. Our analysis reveals a systematic asymmetry in LLM reasoning: models are relatively robust to constraint refinement, where additional conditions shrink an existing solution space, but degrade sharply under solution-space restructuring, where modifications alter the underlying structural form of the solution manifold. Moreover, calibrated formal probes differentiate models that appear indistinguishable on standard benchmarks and reveal failure modes that are structurally interpretable rather than opaque. Beyond evaluation, our framework is contamination-free and supports the training and testing of reasoning models.

Data extraction from line-chart images is an essential component of the automated document understanding process, as line charts are a ubiquitous data visualization format. However, the amount of visual and structural variations in multi-line graphs makes them particularly challenging for automated parsing. Existing works, however, are not robust to all these variations, either taking an all-chart unified approach or relying on auxiliary information such as legends for line data extraction. In this work, we propose LineFormer, a robust approach to line data extraction using instance segmentation. We achieve state-of-the-art performance on several benchmark synthetic and real chart datasets. Our implementation is available at https://github.com/TheJaeLal/LineFormer .

Massive molecular simulations of drug-target proteins have been used as a tool to understand disease mechanism and develop therapeutics. This work focuses on learning a generative neural network on a structural ensemble of a drug-target protein, e.g. SARS-CoV-2 Spike protein, obtained from computationally expensive molecular simulations. Model tasks involve characterizing the distinct structural fluctuations of the protein bound to various drug molecules, as well as efficient generation of protein conformations that can serve as an complement of a molecular simulation engine. Specifically, we present a geometric autoencoder framework to learn separate latent space encodings of the intrinsic and extrinsic geometries of the protein structure. For this purpose, the proposed Protein Geometric AutoEncoder (ProGAE) model is trained on the protein contact map and the orientation of the backbone bonds of the protein. Using ProGAE latent embeddings, we reconstruct and generate the conformational ensemble of a protein at or near the experimental resolution, while gaining better interpretability and controllability in term of protein structure generation from the learned latent space. Additionally, ProGAE models are transferable to a different state of the same protein or to a new protein of different size, where only the dense layer decoding from the latent representation needs to be retrained. Results show that our geometric learning-based method enjoys both accuracy and efficiency for generating complex structural variations, charting the path toward scalable and improved approaches for analyzing and enhancing high-cost simulations of drug-target proteins.

Recent advances in Multilingual Large Language Models (MLLMs) have significantly enhanced cross-lingual conversational capabilities, yet modeling culturally nuanced and context-dependent communication remains a critical bottleneck. Specifically, existing state-of-the-art models exhibit a severe pragmatic gap when handling structural variations, regional idioms, and honorific consistencies in low-resource contexts like Bangla. To address this limitation, we introduce a novel, culturally aligned instruction-tuning dataset for BangLa Application and DialoguE generation - BLADE and benchmarking framework comprising 4,196 meticulously curated interaction pairs. We leverage this resource to systematically fine-tune and evaluate leading open-weight architectures, including DeepSeek-8B and LLaMA-3.2-3B, utilizing parameter-efficient fine-tuning via LoRA adapters in a 4-bit NormalFloat (NF4) quantization framework. Our empirical evaluations demonstrate that models fine-tuned on our dataset yield substantial improvements in structural fidelity and honorific alignment, providing a rigorous benchmark for bridging pragmatic disparities in low-resource multilingual text generation. Code and dataset: https://github.com/ashuvo25/Bangla_Application_LLM/tree/main

Sarcasm detection in multilingual and code-mixed environments remains a challenging task for natural language processing models due to structural variations, informal expressions, and low-resource linguistic availability. This study compares four large language models, Llama 3.1, Mistral, Gemma 3, and Phi-4, with a fine-tuned DistilBERT model for sarcasm detection in code-mixed Hinglish text. The results indicate that the smaller, sequentially fine-tuned DistilBERT model achieved the highest overall accuracy of 84%, outperforming all of the LLMs in zero and few-shot set ups, using minimal LLM generated code-mixed data used for fine-tuning. These findings indicate that domain-adaptive fine-tuning of smaller transformer based models may significantly improve sarcasm detection over general LLM inference, in low-resource and data scarce settings.

Standard subword tokenizers either treat every orthographic variation of a word (such as hello, Hello, HELLO, and Héllo) as unrelated vocabulary entries, which fragments the embedding space, or discard this variation through lossy normalization. We present the Functionalizer, a lossless pre-tokenizer framework that factors orthographic and structural variations into a compositional opcode/operand prefix stream before tokenization: a canonical base token (operand) prefixed by parametric transformation operators (opcodes) encoded in the Unicode Private Use Area. We introduce operators covering casing (CAPITALIZE), diacritics (13 dedicated opcodes), and character repetition (REPEAT, MULTIREPEAT), which are fully reversible. Across natural language and code corpora, the Functionalizer enables complete corpus coverage with significantly smaller vocabularies under unconstrained exhaustion conditions, reducing actual vocabulary slot requirements by up to 19.7%. Downstream evaluations on 98M-parameter GPT-2 models show that the Functionalizer improves Python code syntax validity (9.12% vs. 7.70%) while reducing duplicate n-gram repetition in natural language prose. These findings demonstrate that functional decomposition can be an effective mechanism for vocabulary-efficient, structurally aware language modeling, and motivate further validation at production scale.

We present the first active learning tool for fine-grained 3D part labeling, a problem which challenges even the most advanced deep learning (DL) methods due to the significant structural variations among the small and intricate parts. For the same reason, the necessary data annotation effort is tremendous, motivating approaches to minimize human involvement. Our labeling tool iteratively verifies or modifies part labels predicted by a deep neural network, with human feedback continually improving the network prediction. To effectively reduce human efforts, we develop two novel features in our tool, hierarchical and symmetry-aware active labeling. Our human-in-the-loop approach, coined HAL3D, achieves 100% accuracy (barring human errors) on any test set with pre-defined hierarchical part labels, with 80% time-saving over manual effort.

We introduce ISALux, a novel transformer-based approach for Low-Light Image Enhancement (LLIE) that seamlessly integrates illumination and semantic priors. Our architecture includes an original self-attention block, Hybrid Illumination and Semantics-Aware Multi-Headed Self- Attention (HISA-MSA), which integrates illumination and semantic segmentation maps for en- hanced feature extraction. ISALux employs two self-attention modules to independently process illumination and semantic features, selectively enriching each other to regulate luminance and high- light structural variations in real-world scenarios. A Mixture of Experts (MoE)-based Feed-Forward Network (FFN) enhances contextual learning, with a gating mechanism conditionally activating the top K experts for specialized processing. To address overfitting in LLIE methods caused by distinct light patterns in benchmarking datasets, we enhance the HISA-MSA module with low-rank matrix adaptations (LoRA). Extensive qualitative and quantitative evaluations across multiple specialized datasets demonstrate that ISALux is competitive with state-of-the-art (SOTA) methods. Addition- ally, an ablation study highlights the contribution of each component in the proposed model. Code will be released upon publication.

Volumetric video is emerging as a key medium for digitizing the dynamic physical world, creating the virtual environments with six degrees of freedom to deliver immersive user experiences. However, robustly modeling general dynamic scenes, especially those involving topological changes while maintaining long-term tracking remains a fundamental challenge. In this paper, we present TaoGS, a novel topology-aware dynamic Gaussian representation that disentangles motion and appearance to support, both, long-range tracking and topological adaptation. We represent scene motion with a sparse set of motion Gaussians, which are continuously updated by a spatio-temporal tracker and photometric cues that detect structural variations across frames. To capture fine-grained texture, each motion Gaussian anchors and dynamically activates a set of local appearance Gaussians, which are non-rigidly warped to the current frame to provide strong initialization and significantly reduce training time. This activation mechanism enables efficient modeling of detailed textures and maintains temporal coherence, allowing high-fidelity rendering even under challenging scenarios such as changing clothes. To enable seamless integration into codec-based volumetric formats, we introduce a global Gaussian Lookup Table that records the lifespan of each Gaussian and organizes attributes into a lifespan-aware 2D layout. This structure aligns naturally with standard video codecs and supports up to 40 compression. TaoGS provides a unified, adaptive solution for scalable volumetric video under topological variation, capturing moments where "elegance in motion" and "Power in Stillness", delivering immersive experiences that harmonize with the physical world.

Large Language Models (LLMs) excel in natural language tasks, but less is known about their reasoning capabilities over tabular data. Prior analyses devise evaluation strategies that poorly reflect an LLM's realistic performance on tabular queries. Moreover, we have a limited understanding of the robustness of LLMs towards realistic variations in tabular inputs. Therefore, we ask: Can general-purpose LLMs reason over tabular data, really?, and focus on two questions 1) are tabular reasoning capabilities of general-purpose LLMs robust to real-world characteristics of tabular inputs, and 2) how can we realistically evaluate an LLM's performance on analytical tabular queries? Building on a recent tabular reasoning benchmark, we first surface shortcomings of its multiple-choice prompt evaluation strategy, as well as commonly used free-form text metrics such as SacreBleu and BERT-score. We show that an LLM-as-a-judge procedure yields more reliable performance insights and unveil a significant deficit in tabular reasoning performance of LLMs. We then extend the tabular inputs reflecting three common characteristics in practice: 1) missing values, 2) duplicate entities, and 3) structural variations. Experiments show that the tabular reasoning capabilities of general-purpose LLMs suffer from these variations, stressing the importance of improving their robustness for realistic tabular inputs.

Diagnosis and risk stratification of cancer and many other diseases require the detection of genomic breakpoints as a prerequisite of calling copy number alterations (CNA). This, however, is still challenging and requires time-consuming manual curation. As deep-learning methods outperformed classical state-of-the-art algorithms in various domains and have also been successfully applied to life science problems including medicine and biology, we here propose Deep SNP, a novel Deep Neural Network to learn from genomic data. Specifically, we used a manually curated dataset from 12 genomic single nucleotide polymorphism array (SNPa) profiles as truth-set and aimed at predicting the presence or absence of genomic breakpoints, an indicator of structural chromosomal variations, in windows of 40,000 probes. We compare our results with well-known neural network models as well as Rawcopy though this tool is designed to predict breakpoints and in addition genomic segments with high sensitivity. We show, that Deep SNP is capable of successfully predicting the presence or absence of a breakpoint in large genomic windows and outperforms state-of-the-art neural network models. Qualitative examples suggest that integration of a localization unit may enable breakpoint detection and prediction of genomic segments, even if the breakpoint coordinates were not provided for network training. These results warrant further evaluation of DeepSNP for breakpoint localization and subsequent calling of genomic segments.

Knowledge graph question answering (KGQA) presents significant challenges due to the structural and semantic variations across input graphs. Existing works rely on Large Language Model (LLM) agents for graph traversal and retrieval; an approach that is sensitive to traversal initialization, as it is prone to entity linking errors and may not generalize well to custom ("bring-your-own") KGs. We introduce BYOKG-RAG, a framework that enhances KGQA by synergistically combining LLMs with specialized graph retrieval tools. In BYOKG-RAG, LLMs generate critical graph artifacts (question entities, candidate answers, reasoning paths, and OpenCypher queries), and graph tools link these artifacts to the KG and retrieve relevant graph context. The retrieved context enables the LLM to iteratively refine its graph linking and retrieval, before final answer generation. By retrieving context from different graph tools, BYOKG-RAG offers a more general and robust solution for QA over custom KGs. Through experiments on five benchmarks spanning diverse KG types, we demonstrate that BYOKG-RAG outperforms the second-best graph retrieval method by 4.5% points while showing better generalization to custom KGs. BYOKG-RAG framework is open-sourced at https://github.com/awslabs/graphrag-toolkit.

Pre-trained encoders are widely employed in dense prediction tasks for their capability to effectively extract visual features from images. The decoder subsequently processes these features to generate pixel-level predictions. However, due to structural differences and variations in input data, only encoders benefit from pre-learned representations from vision benchmarks such as image classification and self-supervised learning, while decoders are typically trained from scratch. In this paper, we introduce timesNet, which facilitates a "pre-trained encoder times pre-trained decoder" collaboration through three innovative designs. timesNet enables the direct utilization of pre-trained models within the decoder, integrating pre-learned representations into the decoding process to enhance performance in dense prediction tasks. By simply coupling the pre-trained encoder and pre-trained decoder, timesNet distinguishes itself as a highly promising approach. Remarkably, it achieves this without relying on decoding-specific structures or task-specific algorithms. Despite its streamlined design, timesNet outperforms advanced methods in tasks such as monocular depth estimation and semantic segmentation, achieving state-of-the-art performance particularly in monocular depth estimation. and semantic segmentation, achieving state-of-the-art results, especially in monocular depth estimation. embedding algorithms. Despite its streamlined design, timesNet outperforms advanced methods in tasks such as monocular depth estimation and semantic segmentation, achieving state-of-the-art performance particularly in monocular depth estimation.

Money laundering detection faces challenges due to excessive false positives and inadequate adaptation to sophisticated multi-stage schemes that exploit modern financial networks. Graph analytics and AI are promising tools, but they struggle with the fuzziness of laundering patterns, which exhibit structural and temporal variations. Conventional data mining techniques require the detailed enumeration of pattern variants, which not only complicates the analyst's task to specify them, but also leads to large run-time overheads and difficulty training accurate AI models. The paper presents BlazingAML, a scalable AML system design that introduces: 1. A novel multi-stage framework for expressing fuzzy money laundering patterns 2. A domain-specific compiler that transforms high-level pattern descriptions into high-performance code for CPU and GPU back-ends The multi-stage abstraction decomposes complex laundering schemes into logical stages connected by graph operations, enabling diverse patterns to be expressed using unified primitives while capturing structural and temporal fuzziness. The compiler applies sophisticated optimizations, eliminating manual parallel programming requirements for financial analysts. Evaluation on IBM AML datasets shows BlazingAML achieves the same F1 score as state-of-the-art approaches while delivering 210x and 333x higher speedup on CPU and GPU respectively, with superior scalability.

With the remarkable recent progress on learning deep generative models, it becomes increasingly interesting to develop models for controllable image synthesis from reconfigurable inputs. This paper focuses on a recent emerged task, layout-to-image, to learn generative models that are capable of synthesizing photo-realistic images from spatial layout (i.e., object bounding boxes configured in an image lattice) and style (i.e., structural and appearance variations encoded by latent vectors). This paper first proposes an intuitive paradigm for the task, layout-to-mask-to-image, to learn to unfold object masks of given bounding boxes in an input layout to bridge the gap between the input layout and synthesized images. Then, this paper presents a method built on Generative Adversarial Networks for the proposed layout-to-mask-to-image with style control at both image and mask levels. Object masks are learned from the input layout and iteratively refined along stages in the generator network. Style control at the image level is the same as in vanilla GANs, while style control at the object mask level is realized by a proposed novel feature normalization scheme, Instance-Sensitive and Layout-Aware Normalization. In experiments, the proposed method is tested in the COCO-Stuff dataset and the Visual Genome dataset with state-of-the-art performance obtained.

Disorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are disordered, making them catalytically adaptive for many reactions. In this work, the HER capabilities of Monolayer Amorphous Carbon (MAC) were studied in comparison with crystalline carbon derivatives, such as pristine graphene (GE) and graphyne derivatives. MAC generated from melt-quench simulations revealed a diverse framework of predominantly sp2 and sp3 carbons with numerous 5-, 6-, and 7-membered rings. Density Functional Theory (DFT) calculations investigated free-energy variations in hydrogen adsorption for each material. According to Sabatier's principle, optimum activity is achieved when the Gibbs free energy (Delta GH) change approaches zero. Crystalline carbon materials possess limited active sites, with beta-graphyne showing the best Delta GH value of +0.34 eV. The adsorption study for MAC was conducted in 30 distinct local environments, where core structural properties were analyzed against varying radii. Calculations showed a Delta GH distribution for MAC ranging from -0.02 eV to +1.35 eV. To evaluate activity across the entire MAC surface, a MACE MLIP foundation model was finetuned, achieving optimal energy and force fitting of 1.67 meV/atom and 29.15 meV/A, respectively. The MLIP predicted Delta GH values from -0.91 eV to +1.70 eV, with approximately 15% of sites exhibiting values below +0.25 eV. Feature analysis revealed that 7-membered rings, curvature, and ripple height enhance HER activity. Our findings suggest that, with careful optimization of local features, MAC can be tuned to compete with noble metal catalysts.

Large language model (LLM) agents increasingly rely on external tools such as search engines to solve complex, multi-step problems, and reinforcement learning (RL) has become a key paradigm for training them. However, the trajectories of search agents are structurally heterogeneous, where variations in the number, placement, and outcomes of search calls lead to fundamentally different answer directions and reward distributions. Standard policy gradient methods, which use a single global baseline, suffer from what we identify and formalize as cross-stratum bias-an "apples-to-oranges" comparison of heterogeneous trajectories. This cross-stratum bias distorts credit assignment and hinders exploration of complex, multi-step search strategies. To address this, we propose Stratified GRPO, whose central component, Stratified Advantage Normalization (SAN), partitions trajectories into homogeneous strata based on their structural properties and computes advantages locally within each stratum. This ensures that trajectories are evaluated only against their true peers. Our analysis proves that SAN eliminates cross-stratum bias, yields conditionally unbiased unit-variance estimates inside each stratum, and retains the global unbiasedness and unit-variance properties enjoyed by standard normalization, resulting in a more pure and scale-stable learning signal. To improve practical stability under finite-sample regimes, we further linearly blend SAN with the global estimator. Extensive experiments on diverse single-hop and multi-hop question-answering benchmarks demonstrate that Stratified GRPO consistently and substantially outperforms GRPO by up to 11.3 points, achieving higher training rewards, greater training stability, and more effective search policies. These results establish stratification as a principled remedy for structural heterogeneity in RL for LLM search agents.

No-Reference Image Quality Assessment (NR-IQA) aims to estimate perceptual quality without access to a reference image of pristine quality. Learning an NR-IQA model faces a fundamental bottleneck: its need for a large number of costly human perceptual labels. We propose SHAMISA, a non-contrastive self-supervised framework that learns from unlabeled distorted images by leveraging explicitly structured relational supervision. Unlike prior methods that impose rigid, binary similarity constraints, SHAMISA introduces implicit structural associations, defined as soft, controllable relations that are both distortion-aware and content-sensitive, inferred from synthetic metadata and intrinsic feature structure. A key innovation is our compositional distortion engine, which generates an uncountable family of degradations from continuous parameter spaces, grouped so that only one distortion factor varies at a time. This enables fine-grained control over representational similarity during training: images with shared distortion patterns are pulled together in the embedding space, while severity variations produce structured, predictable shifts. We integrate these insights via dual-source relation graphs that encode both known degradation profiles and emergent structural affinities to guide the learning process throughout training. A convolutional encoder is trained under this supervision and then frozen for inference, with quality prediction performed by a linear regressor on its features. Extensive experiments on synthetic, authentic, and cross-dataset NR-IQA benchmarks demonstrate that SHAMISA achieves strong overall performance with improved cross-dataset generalization and robustness, all without human quality annotations or contrastive losses.

This work presents the first systematic investigation of speech bias in multilingual MLLMs. We construct and release the BiasInEar dataset, a speech-augmented benchmark based on Global MMLU Lite, spanning English, Chinese, and Korean, balanced by gender and accent, and totaling 70.8 hours (approx4,249 minutes) of speech with 11,200 questions. Using four complementary metrics (accuracy, entropy, APES, and Fleiss' κ), we evaluate nine representative models under linguistic (language and accent), demographic (gender), and structural (option order) perturbations. Our findings reveal that MLLMs are relatively robust to demographic factors but highly sensitive to language and option order, suggesting that speech can amplify existing structural biases. Moreover, architectural design and reasoning strategy substantially affect robustness across languages. Overall, this study establishes a unified framework for assessing fairness and robustness in speech-integrated LLMs, bridging the gap between text- and speech-based evaluation. The resources can be found at https://github.com/ntunlplab/BiasInEar.

Despite being self-supervised, protein language models have shown remarkable performance in fundamental biological tasks such as predicting impact of genetic variation on protein structure and function. The effectiveness of these models on diverse set of tasks suggests that they learn meaningful representations of fitness landscape that can be useful for downstream clinical applications. Here, we interrogate the use of these language models in characterizing known pathogenic mutations in curated, medically actionable genes through an exhaustive search of putative compensatory mutations on each variant's genetic background. Systematic analysis of the predicted effects of these compensatory mutations reveal unappreciated structural features of proteins that are missed by other structure predictors like AlphaFold. While deep mutational scan experiments provide an unbiased estimate of the mutational landscape, we encourage the community to generate and curate rescue mutation experiments to inform the design of more sophisticated co-masking strategies and leverage large language models more effectively for downstream clinical prediction tasks.

Formulating optimization problems for industrial applications demands significant manual effort and domain expertise. While Large Language Models (LLMs) show promise in automating this process, evaluating their performance remains difficult due to the absence of robust metrics. Existing solver-based approaches often face inconsistency, infeasibility issues, and high computational costs. To address these issues, we propose ORGEval, a graph-theoretic evaluation framework for assessing LLMs' capabilities in formulating linear and mixed-integer linear programs. ORGEval represents optimization models as graphs, reducing equivalence detection to graph isomorphism testing. We identify and prove a sufficient condition, when the tested graphs are symmetric decomposable (SD), under which the Weisfeiler-Lehman (WL) test is guaranteed to correctly detect isomorphism. Building on this, ORGEval integrates a tailored variant of the WL-test with an SD detection algorithm to evaluate model equivalence. By focusing on structural equivalence rather than instance-level configurations, ORGEval is robust to numerical variations. Experimental results show that our method can successfully detect model equivalence and produce 100\% consistent results across random parameter configurations, while significantly outperforming solver-based methods in runtime, especially on difficult problems. Leveraging ORGEval, we construct the Bench4Opt dataset and benchmark state-of-the-art LLMs on optimization modeling. Our results reveal that although optimization modeling remains challenging for all LLMs, DeepSeek-V3 and Claude-Opus-4 achieve the highest accuracies under direct prompting, outperforming even leading reasoning models.

We present Consistent-Recurrent Feature Flow Transformer (CRFT), a unified coarse-to-fine framework based on feature flow learning for robust cross-modal image registration. CRFT learns a modality-independent feature flow representation within a transformer-based architecture that jointly performs feature alignment and flow estimation. The coarse stage establishes global correspondences through multi-scale feature correlation, while the fine stage refines local details via hierarchical feature fusion and adaptive spatial reasoning. To enhance geometric adaptability, an iterative discrepancy-guided attention mechanism with a Spatial Geometric Transform (SGT) recurrently refines the flow field, progressively capturing subtle spatial inconsistencies and enforcing feature-level consistency. This design enables accurate alignment under large affine and scale variations while maintaining structural coherence across modalities. Extensive experiments on diverse cross-modal datasets demonstrate that CRFT consistently outperforms state-of-the-art registration methods in both accuracy and robustness. Beyond registration, CRFT provides a generalizable paradigm for multimodal spatial correspondence, offering broad applicability to remote sensing, autonomous navigation, and medical imaging. Code and datasets are publicly available at https://github.com/NEU-Liuxuecong/CRFT.

Recent advances in cross-view geo-localization (CVGL) methods have shown strong potential for supporting unmanned aerial vehicle (UAV) navigation in GNSS-denied environments. However, existing work predominantly focuses on matching UAV views to onboard map tiles, which introduces an inherent trade-off between accuracy and storage overhead, and overlooks the importance of the UAV's heading during navigation. Moreover, the substantial discrepancies and varying overlaps in cross-view scenarios have been insufficiently considered, limiting their generalization to real-world scenarios. In this paper, we present Bearing-UAV, a purely vision-driven cross-view navigation method that jointly predicts UAV absolute location and heading from neighboring features, enabling accurate, lightweight, and robust navigation in the wild. Our method leverages global and local structural features and explicitly encodes relative spatial relationships, making it robust to cross-view variations, misalignment, and feature-sparse conditions. We also present Bearing-UAV-90k, a multi-city benchmark for evaluating cross-view localization and navigation. Extensive experiments show encouraging results that Bearing-UAV yields lower localization error than previous matching/retrieval paradigm across diverse terrains. Our code and dataset will be made publicly available.

Medical image foundation models (MIFMs) have demonstrated remarkable potential for a wide range of clinical tasks, yet their development is constrained by the scarcity, heterogeneity, and high cost of large-scale annotated datasets. Here, we propose RaSD (Randomized Synthesis and Disentanglement), a scalable framework for pre-training MIFMs entirely on synthetic data. By modeling anatomical structures and appearance variations with randomized Gaussian distributions, RaSD exposes models to sufficient multi-scale structural and appearance perturbations, forcing them to rely on invariant and task-relevant anatomical cues rather than dataset-specific textures, thereby enabling robust and transferable representation learning. We pre-trained RaSD on 1.2 million 3D volumes and 9.6 million 2D images, and extensively evaluated the resulting models across 6 imaging modalities, 48 datasets, and 56 downstream tasks. Across all evaluated downstream tasks, RaSD consistently outperforms training-from-scratch models, achieves the best performance on 17 tasks, and remains comparable to models pre-trained on large real datasets in most others. These results demonstrate that the capacity of synthetic data alone to drive robust representation learning. Our findings establish a paradigm shift in medical AI, demonstrating that synthetic data can serve as a "free lunch" for scalable, privacy-preserving, and clinically generalizable foundation models.

The analysis of public opinion from multiple heterogeneous sources presents significant challenges due to structural differences, semantic variations, and platform-specific biases. This paper introduces a novel Collaborative Reasoning and Adaptive Fusion (CRAF) framework that systematically integrates traditional feature-based methods with large language models (LLMs) through a structured multi-stage reasoning mechanism. Our approach features four key innovations: (1) a cross-platform collaborative attention module that aligns semantic representations while preserving source-specific characteristics, (2) a hierarchical adaptive fusion mechanism that dynamically weights features based on both data quality and task requirements, (3) a joint optimization strategy that simultaneously learns topic representations and sentiment distributions through shared latent spaces, and (4) a novel multimodal extraction capability that processes video content from platforms like Douyin and Kuaishou by integrating OCR, ASR, and visual sentiment analysis. Theoretical analysis demonstrates that CRAF achieves a tighter generalization bound with a reduction of O(sqrt(d log K / m)) compared to independent source modeling, where d is feature dimensionality, K is the number of sources, and m is sample size. Comprehensive experiments on three multi-platform datasets (Weibo-12, CrossPlatform-15, NewsForum-8) show that CRAF achieves an average topic clustering ARI of 0.76 (4.1% improvement over best baseline) and sentiment analysis F1-score of 0.84 (3.8% improvement). The framework exhibits strong cross-platform adaptability, reducing the labeled data requirement for new platforms by 75%.

Hardware shifts, color variations, and changing patient characteristics between development and deployment routinely break trained medical image classifiers. Existing remedies fall short: standard color jittering provides insufficient diversity, while deep generative style transfer algorithms hallucinate features, destroy clinically relevant structures, and waste massive compute resources. To address this, we revisit classical statistical color matching and repurpose it as Colorist, a highly efficient data augmentation strategy that applies global mean-standard deviation matching directly in the RGB color space. We demonstrate that this training-free, fully interpretable approach safely generates structurally intact domain variations, outperforming deep generative models in structural fidelity and color alignment. Across out-of-distribution histopathology, peripheral blood, dermatology, and retinal datasets, it improves balanced accuracy by up to +9% over state-of-the-art domain generalization regularizers and by +13% over an unaugmented baseline. Moreover, by avoiding neural networks in the augmentation loop, Colorist preserves anatomical structure, minimizes carbon footprint, and integrates seamlessly into standard dataloaders. Together, these findings establish statistical matching as a safe, interpretable, yet overlooked alternative to deep architectures for clinical robustness. Source code is available at https://github.com/sdoerrich97/colorist.

We present a novel framework to regularize Neural Radiance Field (NeRF) in a few-shot setting with a geometry-aware consistency regularization. The proposed approach leverages a rendered depth map at unobserved viewpoint to warp sparse input images to the unobserved viewpoint and impose them as pseudo ground truths to facilitate learning of NeRF. By encouraging such geometry-aware consistency at a feature-level instead of using pixel-level reconstruction loss, we regularize the NeRF at semantic and structural levels while allowing for modeling view dependent radiance to account for color variations across viewpoints. We also propose an effective method to filter out erroneous warped solutions, along with training strategies to stabilize training during optimization. We show that our model achieves competitive results compared to state-of-the-art few-shot NeRF models. Project page is available at https://ku-cvlab.github.io/GeCoNeRF/.

Remote sensing object detection (RSOD) faces formidable challenges in complex visual environments. Aerial and satellite images inherently suffer from limitations such as low spatial resolution, sensor noise, blurred objects, low-light degradation, and partial occlusions. These degradation factors collectively compromise the feature discriminability in detection models, resulting in three key issues: (1) reduced contrast that hampers foreground-background separation, (2) structural discontinuities in edge representations, and (3) ambiguous feature responses caused by variations in illumination. These collectively weaken model robustness and deployment feasibility. To address these challenges, we propose LEGNet, a lightweight network that incorporates a novel edge-Gaussian aggregation (EGA) module specifically designed for low-quality remote sensing images. Our key innovation lies in the synergistic integration of Scharr operator-based edge priors with uncertainty-aware Gaussian modeling: (a) The orientation-aware Scharr filters preserve high-frequency edge details with rotational invariance; (b) The uncertainty-aware Gaussian layers probabilistically refine low-confidence features through variance estimation. This design enables precision enhancement while maintaining architectural simplicity. Comprehensive evaluations across four RSOD benchmarks (DOTA-v1.0, v1.5, DIOR-R, FAIR1M-v1.0) and a UAV-view dataset (VisDrone2019) demonstrate significant improvements. LEGNet achieves state-of-the-art performance across five benchmark datasets while ensuring computational efficiency, making it well-suited for deployment on resource-constrained edge devices in real-world remote sensing applications. The code is available at https://github.com/lwCVer/LEGNet.

Materials discovery and design aim to find compositions and structures with desirable properties over highly complex and diverse physical spaces. Traditional solutions, such as high-throughput simulations or machine learning, often rely on complex descriptors, which hinder generalizability and transferability across different material systems. Moreover, These descriptors may inadequately represent macro-scale material properties, which are influenced by structural imperfections and compositional variations in real-world samples, thus limiting their practical applicability. To address these challenges, we propose DARWIN 1.5, the largest open-source large language model tailored for materials science. By leveraging natural language as input, DARWIN eliminates the need for task-specific descriptors and enables a flexible, unified approach to material property prediction and discovery. Our approach integrates 6M material domain papers and 21 experimental datasets from 49,256 materials across modalities while enabling cross-task knowledge transfer. The enhanced model achieves up to 59.1% improvement in prediction accuracy over the base LLaMA-7B architecture and outperforms SOTA machine learning approaches across 8 materials design tasks. These results establish LLMs as a promising foundation for developing versatile and scalable models in materials science.

Aims: We study the Galactic large-scale synchrotron emission by generating a reliable all-sky spectral index map and temperature map at 45 MHz. Methods: We use our observations, the published all-sky map at 408 MHz, and a bibliographical compilation to produce a map corrected for zero-level offset and extragalactic contribution. Results: We present full sky maps of the Galactic emission at 45 MHz and the Galactic spectral index between 45 and 408 MHz with an angular resolution of 5\degs. The spectral index varies between 2.1 and 2.7, reaching values below 2.5 at low latitude because of thermal free-free absorption and its maximum in the zone next to the Northern Spur.

Graph convolutional networks (GCNs) have emerged as a powerful tool for skeleton-based action and gesture recognition, thanks to their ability to model spatial and temporal dependencies in skeleton data. However, existing GCN-based methods face critical limitations: (1) they lack effective spatio-temporal topology modeling that captures dynamic variations in skeletal motion, and (2) they struggle to model multiscale structural relationships beyond local joint connectivity. To address these issues, we propose a novel framework called Dynamic Spatial-Temporal Semantic Awareness Graph Convolutional Network (DSTSA-GCN). DSTSA-GCN introduces three key modules: Group Channel-wise Graph Convolution (GC-GC), Group Temporal-wise Graph Convolution (GT-GC), and Multi-Scale Temporal Convolution (MS-TCN). GC-GC and GT-GC operate in parallel to independently model channel-specific and frame-specific correlations, enabling robust topology learning that accounts for temporal variations. Additionally, both modules employ a grouping strategy to adaptively capture multiscale structural relationships. Complementing this, MS-TCN enhances temporal modeling through group-wise temporal convolutions with diverse receptive fields. Extensive experiments demonstrate that DSTSA-GCN significantly improves the topology modeling capabilities of GCNs, achieving state-of-the-art performance on benchmark datasets for gesture and action recognition, including SHREC17 Track, DHG-14\/28, NTU-RGB+D, and NTU-RGB+D-120.

Tracking dense, homogeneous targets like schooling fish remains a major challenge for multiple object tracking due to extreme inter-individual homogeneity, severe physical clustering, and rapid non-rigid deformations. While heavy-backbone separated detection and embedding trackers like SU-T push accuracy boundaries using complex Re-Identification networks, their computational overhead prohibits edge deployment. Furthermore, these modules often fail when appearance features degrade under severe occlusions. To overcome this, we propose Tracking Identities with Dual-branch Elasticity (TIDE). Bypassing expensive appearance cues, TIDE utilizes the Adaptive Geometric Correspondence IoU, an association mechanism leveraging spatial and structural consistency to robustly handle complex morphological variations. Crucially, TIDE introduces system-level deployment elasticity, decoupling the algorithmic pipeline from strict hardware constraints. Evaluations on the MFT-Edge benchmark demonstrate that our Lightweight L-branch achieves a competitive HOTA of 28.43 using merely 20.47G FLOPs. This represents a 38.7-fold computational reduction compared to upper bounds like SU-T, directly facilitating real-time edge deployment. Concurrently, our Scalable S-branch establishes a 29.98 HOTA, successfully bridging the gap between high-precision cloud analysis and efficient edge tracking. The dataset and codes are released at https://vranlee.github.io/TIDE/.

Backdoor attacks targeting text-to-image diffusion models have advanced rapidly. However, current backdoor samples often exhibit two key abnormalities compared to benign samples: 1) Semantic Consistency, where backdoor prompts tend to generate images with similar semantic content even with significant textual variations to the prompts; 2) Attention Consistency, where the trigger induces consistent structural responses in the cross-attention maps. These consistencies leave detectable traces for defenders, making backdoors easier to identify. In this paper, toward stealthy backdoor samples, we propose Trigger without Trace (TwT) by explicitly mitigating these consistencies. Specifically, our approach leverages syntactic structures as backdoor triggers to amplify the sensitivity to textual variations, effectively breaking down the semantic consistency. Besides, a regularization method based on Kernel Maximum Mean Discrepancy (KMMD) is proposed to align the distribution of cross-attention responses between backdoor and benign samples, thereby disrupting attention consistency. Extensive experiments demonstrate that our method achieves a 97.5% attack success rate while exhibiting stronger resistance to defenses. It achieves an average of over 98% backdoor samples bypassing three state-of-the-art detection mechanisms, revealing the vulnerabilities of current backdoor defense methods. The code is available at https://github.com/Robin-WZQ/TwT.

State-of-the-art text-to-image diffusion models (DMs) achieve remarkable quality, yet their massive parameter scale (8-11B) poses significant challenges for inferences on resource-constrained devices. In this paper, we present HierarchicalPrune, a novel compression framework grounded in a key observation: DM blocks exhibit distinct functional hierarchies, where early blocks establish semantic structures while later blocks handle texture refinements. HierarchicalPrune synergistically combines three techniques: (1) Hierarchical Position Pruning, which identifies and removes less essential later blocks based on position hierarchy; (2) Positional Weight Preservation, which systematically protects early model portions that are essential for semantic structural integrity; and (3) Sensitivity-Guided Distillation, which adjusts knowledge-transfer intensity based on our discovery of block-wise sensitivity variations. As a result, our framework brings billion-scale diffusion models into a range more suitable for on-device inference, while preserving the quality of the output images. Specifically, when combined with INT4 weight quantisation, HierarchicalPrune achieves 77.5-80.4% memory footprint reduction (e.g., from 15.8 GB to 3.2 GB) and 27.9-38.0% latency reduction, measured on server and consumer grade GPUs, with the minimum drop of 2.6% in GenEval score and 7% in HPSv2 score compared to the original model. Last but not least, our comprehensive user study with 85 participants demonstrates that HierarchicalPrune maintains perceptual quality comparable to the original model while significantly outperforming prior works.

Automatic Target Detection (ATD) and Recognition (ATR) from Thermal Infrared (TI) imagery in the defense and surveillance domain is a challenging computer vision (CV) task in comparison to the commercial autonomous vehicle perception domain. Limited datasets, peculiar domain-specific and TI modality-specific challenges, i.e., limited hardware, scale invariance issues due to greater distances, deliberate occlusion by tactical vehicles, lower sensor resolution and resultant lack of structural information in targets, effects of weather, temperature, and time of day variations, and varying target to clutter ratios all result in increased intra-class variability and higher inter-class similarity, making accurate real-time ATR a challenging CV task. Resultantly, contemporary state-of-the-art (SOTA) deep learning architectures underperform in the ATR domain. We propose a modified anchor-based single-stage detector, called YOLOatr, based on a modified YOLOv5s, with optimal modifications to the detection heads, feature fusion in the neck, and a custom augmentation profile. We evaluate the performance of our proposed model on a comprehensive DSIAC MWIR dataset for real-time ATR over both correlated and decorrelated testing protocols. The results demonstrate that our proposed model achieves state-of-the-art ATR performance of up to 99.6%.

Open-ended discovery requires learning from repeated attempts while continuing to explore directions whose value is not yet apparent. Search with a frozen large language model (LLM) can reuse previous solutions in context, but cannot update the model from its successes and failures on the test problem. Reinforcement learning (RL) enables such adaptation; however, strongly favoring high-reward trajectories may suppress low-reward yet potentially promising directions too early. We introduce CURIO, a curiosity-driven test-time learning framework that complements task feedback with an Intrinsic Curiosity World Model (ICWM). The ICWM learns transitions in the policy's hidden-state representation and supplies prediction-error bonuses at sampled tokens outside the policy's top-k choices. Epoch normalization and an annealed weight regulate their contribution to the policy update. On six mathematical discovery tasks and single-cell denoising with Qwen3 backbones from 8B to 235B, three-run means improve over a matched task-only RL control on five mathematical objectives, match the best reported performance on Circle Packing, and improve denoising Score and mean squared error (MSE) on both held-out corpora at every tested scale. Relative gains reach 18.3% on Hadamard and 10.8% on denoising Score. Code-diversity measurements show greater structural variation among generated programs, supporting curiosity as a complementary exploration signal for learning in open-ended discovery.

Language plays a critical role in Vision-Language-Action (VLA) models, yet the linguistic characteristics of the datasets used to train and evaluate these systems remain poorly documented. In this work, we present a systematic dataset audit of several widely used VLA corpora, aiming to characterize what kinds of instructions these datasets actually contain and how much linguistic variety they provide. We quantify instruction language along complementary dimensions-including lexical variety, duplication and overlap, semantic similarity, and syntactic complexity. Our analysis shows that many datasets rely on highly repetitive, template-like commands with limited structural variation, yielding a narrow distribution of instruction forms. We position these findings as descriptive documentation of the language signal available in current VLA training and evaluation data, intended to support more detailed dataset reporting, more principled dataset selection, and targeted curation or augmentation strategies that broaden language coverage.

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

We introduce a deep neural network-based numerical method for solving kinetic Fokker Planck equations, including both linear and nonlinear cases. Building upon the conservative dissipative structure of Vlasov-type equations, we formulate a class of generalized minimizing movement schemes as iterative constrained minimization problems: the conservative part determines the constraint set, while the dissipative part defines the objective functional. This leads to an analog of the classical Jordan-Kinderlehrer-Otto (JKO) scheme for Wasserstein gradient flows, and we refer to it as the kinetic JKO scheme. To compute each step of the kinetic JKO iteration, we introduce a particle-based approximation in which the velocity field is parameterized by deep neural networks. The resulting algorithm can be interpreted as a kinetic-oriented neural differential equation that enables the representation of high-dimensional kinetic dynamics while preserving the essential variational and structural properties of the underlying PDE. We validate the method with extensive numerical experiments and demonstrate that the proposed kinetic JKO-neural ODE framework is effective for high-dimensional numerical simulations.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

EXAFS studies at the As K edge as a function of temperature have been carried out in SmFeAsO_{1-x}F_x (x = 0 and 0.2) compounds to understand the role of local structural distortions superconductivity observed in F doped compound. A significant correlation between thermal variation of local structural parameters like anion height and superconducting onset is found in the fluorinated compound. Such a variation in anion height is absent in non-superconducting compound. Increase in Fe-As bond distance just below superconducting onset temperature indicates a similarity in distortions observed in high T_C cuprates and these Fe based superconductors.

In recent years, there has been a growing emphasis on compressing large pre-trained transformer models for resource-constrained devices. However, traditional pruning methods often leave the embedding layer untouched, leading to model over-parameterization. Additionally, they require extensive compression time with large datasets to maintain performance in pruned models. To address these challenges, we propose VTrans, an iterative pruning framework guided by the Variational Information Bottleneck (VIB) principle. Our method compresses all structural components, including embeddings, attention heads, and layers using VIB-trained masks. This approach retains only essential weights in each layer, ensuring compliance with specified model size or computational constraints. Notably, our method achieves upto 70% more compression than prior state-of-the-art approaches, both task-agnostic and task-specific. We further propose faster variants of our method: Fast-VTrans utilizing only 3% of the data and Faster-VTrans, a time efficient alternative that involves exclusive finetuning of VIB masks, accelerating compression by upto 25 times with minimal performance loss compared to previous methods. Extensive experiments on BERT, ROBERTa, and GPT-2 models substantiate the efficacy of our method. Moreover, our method demonstrates scalability in compressing large models such as LLaMA-2-7B, achieving superior performance compared to previous pruning methods. Additionally, we use attention-based probing to qualitatively assess model redundancy and interpret the efficiency of our approach. Notably, our method considers heads with high attention to special and current tokens in un-pruned model as foremost candidates for pruning while retained heads are observed to attend more to task-critical keywords.

Accurate ocean modeling and coastal hazard prediction depend on high-resolution bathymetric data; yet, current worldwide datasets are too coarse for exact numerical simulations. While recent deep learning advances have improved earth observation data resolution, existing methods struggle with the unique challenges of producing detailed ocean floor maps, especially in maintaining physical structure consistency and quantifying uncertainties. This work presents a novel uncertainty-aware mechanism using spatial blocks to efficiently capture local bathymetric complexity based on block-based conformal prediction. Using the Vector Quantized Variational Autoencoder (VQ-VAE) architecture, the integration of this uncertainty quantification framework yields spatially adaptive confidence estimates while preserving topographical features via discrete latent representations. With smaller uncertainty widths in well-characterized areas and appropriately larger bounds in areas of complex seafloor structures, the block-based design adapts uncertainty estimates to local bathymetric complexity. Compared to conventional techniques, experimental results over several ocean regions show notable increases in both reconstruction quality and uncertainty estimation reliability. This framework increases the reliability of bathymetric reconstructions by preserving structural integrity while offering spatially adaptive uncertainty estimates, so opening the path for more solid climate modeling and coastal hazard assessment.

Building upon recent structural disentanglement frameworks for sign language production, we propose A^{2}V-SLP, an alignment-aware variational framework that learns articulator-wise disentangled latent distributions rather than deterministic embeddings. A disentangled Variational Autoencoder (VAE) encodes ground-truth sign pose sequences and extracts articulator-specific mean and variance vectors, which are used as distributional supervision for training a non-autoregressive Transformer. Given text embeddings, the Transformer predicts both latent means and log-variances, while the VAE decoder reconstructs the final sign pose sequences through stochastic sampling at the decoding stage. This formulation maintains articulator-level representations by avoiding deterministic latent collapse through distributional latent modeling. In addition, we integrate a gloss attention mechanism to strengthen alignment between linguistic input and articulated motion. Experimental results show consistent gains over deterministic latent regression, achieving state-of-the-art back-translation performance and improved motion realism in a fully gloss-free setting.

Masked image modeling has become a dominant paradigm for SAR pre-training, yet the design of the reconstruction target remains fundamentally unsettled. This article argues that a SAR pre-training target should satisfy two conditions to produce transferable representations: (i) physics-grounded stability, i.e., approximate invariance of the target operator to multiplicative speckle inherent in coherent imaging; and (ii) semantic scale compatibility, i.e., coverage of the heterogeneous spatial scales that downstream tasks demand. These two conditions are individually achievable but jointly difficult: physics-grounded stability favors fixed operators, while semantic scale compatibility favors data-driven composition. To this end, SARATR-X-v2 reconciles both within a single design. The target is constructed through fixed structural extractors spanning six receptive fields, from blind-spot local aggregation to directional log-ratio region contrast, and fused via learnable weights into one unified supervision signal for masked reconstruction. On twelve SAR benchmarks across classification, detection, and segmentation, SARATR-X-v2 achieves state-of-the-art transfer performance. Under synthetic speckle variation, the proposed target reduces perturbation drift in the learned supervision by nearly two orders of magnitude relative to pixel-space supervision. Taken together, these results support physics-grounded stability and semantic scale compatibility as a principled framework for pre-training target design under coherent imaging, and suggest that effective SAR pre-training is not about reconstructing more signal, but about reconstructing the right structural target.

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each task. Most inverse tasks can be formulated as inferring a posterior distribution over data (e.g., a full image) given a measurement (e.g., a masked image). This is however challenging in diffusion models since the nonlinear and iterative nature of the diffusion process renders the posterior intractable. To cope with this challenge, we propose a variational approach that by design seeks to approximate the true posterior distribution. We show that our approach naturally leads to regularization by denoising diffusion process (RED-Diff) where denoisers at different timesteps concurrently impose different structural constraints over the image. To gauge the contribution of denoisers from different timesteps, we propose a weighting mechanism based on signal-to-noise-ratio (SNR). Our approach provides a new variational perspective for solving inverse problems with diffusion models, allowing us to formulate sampling as stochastic optimization, where one can simply apply off-the-shelf solvers with lightweight iterates. Our experiments for image restoration tasks such as inpainting and superresolution demonstrate the strengths of our method compared with state-of-the-art sampling-based diffusion models.

Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forward-noising, and many flow-matching methods start from factorized reference noise and coordinate-wise interpolation, so node-edge coupling is not encoded by the generative geometry and must be recovered implicitly by the core network, which can be brittle after discrete decoding. Bayesian Flow Networks (BFNs) evolve distribution parameters and naturally support discrete generation. But classical BFNs typically rely on factorized beliefs and independent channels, which limit geometric evidence fusion. We propose Variational Bayesian Flow Network (VBFN), which performs a variational lifting to a tractable joint Gaussian variational belief family governed by structured precisions. Each Bayesian update reduces to solving a symmetric positive definite linear system, enabling coupled node and edge updates within a single fusion step. We construct sample-agnostic sparse precisions from a representation-induced dependency graph, thereby avoiding label leakage while enforcing node-edge consistency. On synthetic and molecular graph datasets, VBFN improves fidelity and diversity, and surpasses baseline methods.

This paper studies the original discrete-time denoising diffusion probabilistic model (DDPM) from a probabilistic point of view. We present three main theoretical results. First, we show that the time-dependent score function associated with the forward diffusion process admits a characterization as the backward component of a forward--backward stochastic differential equation (FBSDE). This result provides a structural description of the score function and clarifies how score estimation errors propagate along the reverse-time dynamics. As a by-product, we also obtain a system of semilinear parabolic PDEs for the score function. Second, we use tools from Schrödinger's problem to relate distributional errors arising in reverse time to corresponding errors in forward time. This approach allows us to control the reverse-time sampling error in a systematic way. Third, combining these results, we derive an explicit upper bound for the total variation distance between the sampling distribution of the discrete-time DDPM algorithm and the target data distribution under general finite noise schedules. The resulting bound separates the contributions of the learning error and the time discretization error. Our analysis highlights the intrinsic probabilistic structure underlying discrete-time DDPMs and provides a clearer understanding of the sources of error in their sampling procedure.

Circuit cutting runs a quantum computation on processors smaller than the circuit, at the price of classical knitting whose cost grows exponentially with the number of cut gates. Keeping this cost affordable is necessary but not sufficient for an advantage, since knitting classically easy subcircuits is itself classically easy. We formulate three requirements for distributed quantum advantage under a stated budget: affordable knitting, classical difficulty that survives the cut, and, for variational circuits, resolvable gradients. We prove that under stated assumptions knitting stays affordable when subcircuits grow behind a bounded interface and becomes exponentially expensive when fixed-width subcircuits multiply. We turn the requirements into screening criteria and apply them to eighteen circuit families. We identify finite local-depth circuits with bounded interfaces as a setting in which the requirements can coexist, with hardness established only in the worst case. As a classically verifiable proof of principle, we knit one gate joining two field-perturbed toric-code patches on an IBM Nighthawk processor for up to 142 spins, and confirm that the reconstruction can at least resolve the contact correlation beyond independent execution for up to 98 qubits.

Multi-view graph clustering (MGC) methods are increasingly being studied due to the explosion of multi-view data with graph structural information. The critical point of MGC is to better utilize view-specific and view-common information in features and graphs of multiple views. However, existing works have an inherent limitation that they are unable to concurrently utilize the consensus graph information across multiple graphs and the view-specific feature information. To address this issue, we propose Variational Graph Generator for Multi-View Graph Clustering (VGMGC). Specifically, a novel variational graph generator is proposed to extract common information among multiple graphs. This generator infers a reliable variational consensus graph based on a priori assumption over multiple graphs. Then a simple yet effective graph encoder in conjunction with the multi-view clustering objective is presented to learn the desired graph embeddings for clustering, which embeds the inferred view-common graph and view-specific graphs together with features. Finally, theoretical results illustrate the rationality of the VGMGC by analyzing the uncertainty of the inferred consensus graph with the information bottleneck principle.Extensive experiments demonstrate the superior performance of our VGMGC over SOTAs. The source code is publicly available at https://github.com/cjpcool/VGMGC.

Emergency chest X-ray (CXR) triage has a structural modality gap: reports arrive after triage decisions, yet multimodal foundation models require image-text inputs. We present Variational Risk Minimization (VRM), a distillation framework that treats LVLM-generated report variants as Monte Carlo samples of latent clinical interpretations. Rather than distilling from a single teacher target, VRM learns from a variationally marginalized teacher distribution, enabling uncertainty-aware supervision under missing-modality constraints. Under matched encoder families, VRM outperforms direct fine-tuning baselines and improves calibration with strong recovery from hallucinated supervision. Marginalized supervision reduces report-selection instability. In our compact edge-student instantiation, a confidence-gated cascade reaches AUC 0.941 at 103ms average latency with 20.3% cloud escalation, yielding an explicit reliability-latency operating point for cloud-edge clinical workflows.

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.

Given the ubiquity of deep neural networks, it is important that these models do not reveal information about sensitive data that they have been trained on. In model inversion attacks, a malicious user attempts to recover the private dataset used to train a supervised neural network. A successful model inversion attack should generate realistic and diverse samples that accurately describe each of the classes in the private dataset. In this work, we provide a probabilistic interpretation of model inversion attacks, and formulate a variational objective that accounts for both diversity and accuracy. In order to optimize this variational objective, we choose a variational family defined in the code space of a deep generative model, trained on a public auxiliary dataset that shares some structural similarity with the target dataset. Empirically, our method substantially improves performance in terms of target attack accuracy, sample realism, and diversity on datasets of faces and chest X-ray images.

Denoising-based diffusion transformers, despite their strong generation performance, suffer from inefficient training convergence. Existing methods addressing this issue, such as REPA (relying on external representation encoders) or SRA (requiring dual-model setups), inevitably incur heavy computational overhead during training due to external dependencies. To tackle these challenges, this paper proposes SRA 2, a lightweight intrinsic guidance framework for efficient diffusion training. SRA 2 leverages off-the-shelf pre-trained Variational Autoencoder (VAE) features: their reconstruction property ensures inherent encoding of visual priors like rich texture details, structural patterns, and basic semantic information. Specifically, SRA 2 aligns the intermediate latent features of diffusion transformers with VAE features via a lightweight projection layer, supervised by a feature alignment loss. This design accelerates training without extra representation encoders or dual-model maintenance, resulting in a simple yet effective pipeline. Extensive experiments demonstrate that SRA 2 improves both generation quality and training convergence speed compared to vanilla diffusion transformers, matches or outperforms state-of-the-art acceleration methods, and incurs merely 4% extra GFLOPs with zero additional cost for external guidance models.

Decision trees are among the most widely used models in machine learning, largely due to their transparent decision logic, making them well-suited for high-stakes decision-making contexts. However, most existing learning algorithms focus on predictive performance, overlooking the joint optimization of other desirable properties, such as structural sparsity. In this work we propose TREVIS, an approach for learning decision trees with respect to complex objectives, based on the exploration of the latent space of a Tree Transformer Variational Auto-Encoder (TTVAE). By mapping decision trees onto latent representations, TREVIS replaces the discrete search space with a continuous one, enabling gradient-based optimization via a differentiable surrogate model. We experiment with TREVIS for learning decision trees that jointly optimize predictive performance and sparsity. Results show that TREVIS discovers decision trees matching the predictive performance of existing near-optimal algorithms while improving their structural sparsity.

Compressed Sensing (CS) significantly speeds up Magnetic Resonance Image (MRI) processing and achieves accurate MRI reconstruction from under-sampled k-space data. According to the current research, there are still several problems with dynamic MRI k-space reconstruction based on CS. 1) There are differences between the Fourier domain and the Image domain, and the differences between MRI processing of different domains need to be considered. 2) As three-dimensional data, dynamic MRI has its spatial-temporal characteristics, which need to calculate the difference and consistency of surface textures while preserving structural integrity and uniqueness. 3) Dynamic MRI reconstruction is time-consuming and computationally resource-dependent. In this paper, we propose a novel robust low-rank dynamic MRI reconstruction optimization model via highly under-sampled and Discrete Fourier Transform (DFT) called the Robust Depth Linear Error Decomposition Model (RDLEDM). Our method mainly includes linear decomposition, double Total Variation (TV), and double Nuclear Norm (NN) regularizations. By adding linear image domain error analysis, the noise is reduced after under-sampled and DFT processing, and the anti-interference ability of the algorithm is enhanced. Double TV and NN regularizations can utilize both spatial-temporal characteristics and explore the complementary relationship between different dimensions in dynamic MRI sequences. In addition, Due to the non-smoothness and non-convexity of TV and NN terms, it is difficult to optimize the unified objective model. To address this issue, we utilize a fast algorithm by solving a primal-dual form of the original problem. Compared with five state-of-the-art methods, extensive experiments on dynamic MRI data demonstrate the superior performance of the proposed method in terms of both reconstruction accuracy and time complexity.

Autoregressive transformers have revolutionized high-fidelity image generation. One crucial ingredient lies in the tokenizer, which compresses high-resolution image patches into manageable discrete tokens with a scanning or hierarchical order suitable for large language models. Extending these tokenizers to 3D generation, however, presents a significant challenge: unlike image patches that naturally exhibit spatial sequence and multi-scale relationships, 3D data lacks an inherent order, making it difficult to compress into fewer tokens while preserving structural details. To address this, we introduce the Variational Tokenizer (VAT), which transforms unordered 3D data into compact latent tokens with an implicit hierarchy, suited for efficient and high-fidelity coarse-to-fine autoregressive modeling. VAT begins with an in-context transformer, which compress numerous unordered 3D features into a reduced token set with minimal information loss. This latent space is then mapped to a Gaussian distribution for residual quantization, with token counts progressively increasing across scales. In this way, tokens at different scales naturally establish the interconnections by allocating themselves into different subspaces within the same Gaussian distribution, facilitating discrete modeling of token relationships across scales. During the decoding phase, a high-resolution triplane is utilized to convert these compact latent tokens into detailed 3D shapes. Extensive experiments demonstrate that VAT enables scalable and efficient 3D generation, outperforming existing methods in quality, efficiency, and generalization. Remarkably, VAT achieves up to a 250x compression, reducing a 1MB mesh to just 3.9KB with a 96% F-score, and can further compress to 256 int8 tokens, achieving a 2000x reduction while maintaining a 92% F-score.

A cumulative variational framework for solid deformation is proposed. Its central organizing principle is the recursive combination of three structural components of one material body: a compatible Cosserat component, a distributed-incompatibility component, and a defect-source component. At any prescribed external condition these components constitute a combined material state. They are governed under common physical boundary and initial conditions and are coupled through one cumulative energy and the associated field equations. They are not separate boundary-value problems and need not appear in a prescribed temporal sequence. The cumulative character of the framework concerns the response of the combined state to variation of externally prescribed conditions. For the special case of an initially perfect body, loss of stability may produce successive branches with defect and then source participation. Such a sequence is a bifurcation property of the selected initial state and constitutive energy, rather than a defining hierarchy of the framework. A one-dimensional specialization illustrates structural bifurcation, residual deformation and residual stress produced by retained structure, dependence on the initial combined state, directional memory under reverse loading, parametric cumulative hysteresis, and changes of observable tangent stiffness associated with structural stabilization. A spatial extension introduces defect and source gradient terms and yields a size-dependent structural stability operator. For the stable quartic energy considered, the gradient terms regularize nonuniform perturbations but do not by themselves generate a finite-wavelength localization instability on an already stable three-component branch. The examples thereby distinguish consequences of the cumulative structure and energy from phenomena requiring additional constitutive evolution laws.

Structural fidelity is essential to scientific methodology diagrams. To communicate research logic, these diagrams must faithfully render components, directional relations, and textual annotations. Since a single error, such as a reversed arrow or an unreadable equation, can invalidate the entire figure, structural fidelity is inherently conjunctive: correctness on one axis cannot compensate for failure on another. Current open-source models fail to satisfy this criterion. Supervised fine-tuning (SFT) learns plausible layouts but cannot reliably ensure structural correctness, while scalar reward-based post-training obscures which structural dimension has failed. To address this, we introduce SciForma, a framework for the structure faithful generation of scientific methodology diagrams. Specifically, SciForma decomposes diagram quality into three structural axes: Component, Arrow, and Text, guided by a structural inventory. Built on this foundation, we curate SciFormaData-700K for structured training and SciFormaBench-2K for logic-verified evaluation. To close the gap left by SFT, we develop Multi-Dimensional Conjunctive Preference Optimization (M-DPO), which enforces simultaneous correctness across all axes and adaptively routes gradients to the most deficient dimension in post-training. The same structural inventory also enables iterative editing at inference time to correct residual errors. This combination allows SciForma-9B to exceed all open-source baselines and GPT-Image-1.5 on both SciFormaBench-2K and AIBench, bringing open scientific diagram generation close to proprietary-level structural fidelity. Our code and data will be available at: https://github.com/microsoft/SciForma.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Large Language Models (LLMs) and Vision-Language Models (VLMs) are increasingly evaluated on table reasoning tasks, but the role of table representation remains under-explored. In practice, the same table content may appear in different structural formats, such as HTML, Markdown, and LaTeX, or as rendered images. However, existing evaluations often let content, format, layout, and modality vary together, making it difficult to isolate representation effects. We introduce TABVERSE, a controlled multimodal table benchmark that aligns the same table content across multiple structural formats and rendered images, with question category and difficulty tags. This design enables systematic evaluation of representation effects while holding table content fixed. We evaluate LLMs and VLMs across three tasks: Question Answering (QA), Structural Understanding Capability (SUC), and Structure Reconstruction (SR). Our results show that representation choice substantially affects table understanding. Models generally perform better with structured text than with rendered images, but the size of this gap depends on the task, model, and format. HTML is often the most robust text format, while row-sensitive structural tasks and syntactically usable LaTeX reconstruction remain challenging. These findings show that table representation is a key factor in reliable table evaluation.

Dwarf galaxies serve as powerful laboratories for investigating the underlying physics of galaxy evolution including the impact of baryonic feedback processes and environmental influences. We compare the visual and structural properties of dwarf galaxies in ultra-deep HSC-SSP imaging of the COSMOS field with those measured from realistic HSC-like synthetic observations of dwarfs generated by the Illustris TNG50 and NewHorizon simulations. Using S\'ersic profile fitting and non-parametric morphological metrics (Gini, M_{20}, asymmetry, and concentration), we evaluate the diversity of structural properties in observed and simulated galaxies. Our analysis shows that NewHorizon and TNG50 galaxies lie at opposite extremes of observed structural trends: NewHorizon produces diffuse, extended galaxies with shallow S\'ersic indices, while TNG50 yields compact, concentrated systems with steep indices. Both simulations reproduce observed structural trends more closely at higher stellar masses (M_{star}sim10^{9.5} {rm M_{odot}}) but fail to capture the full diversity of COSMOS dwarfs at lower masses. Non-parametric metrics further show that NewHorizon galaxies exhibit more uneven, clumpy light distributions while TNG50 galaxies have smoother but excessively concentrated profiles. These structural differences reflect underlying differences in their physical prescriptions and are likely driven by differing approaches to ISM physics, supernova feedback and star formation in addition to differences in numerical resolution. Our findings highlight the unique power of low-mass galaxies to constrain differences in simulation physics, especially star formation and feedback. Upcoming surveys from facilities like the Vera C. Rubin Observatory and Euclid will enable more rigorous comparisons with simulations, offering deeper insights into the physical processes shaping galaxy evolution.

RL post-training strategies are dataset-dependent and reveal a recurring empirical pattern: capacity parameters accumulate monotonically across stages, while regularization parameters predominantly oscillate in response to shifting training dynamics. This distinction matters because fixed schedules commit all parameters to fixed trajectories and therefore cannot express the non-stationary exploration-exploitation tradeoffs that regularization must track; the principle provides actionable design rules for multi-stage training. We discover this through LLMZero, a system where LLM agents search over training trajectories via tree search, diagnosing pathologies at each checkpoint and proposing coordinated multi-parameter transitions. Across 4 diverse GRPO tasks, LLMZero discovers strategies that improve over the base model by 9% to 140% relative and over grid search by 6% to 15% relative, consistently outperforming random search and the skill-based agent. The structural principle transfers across tasks, providing an explanation for why discovered strategies take qualitatively different forms yet share similar parameter dynamics.

Directly producing planning results from raw sensors has been a long-desired solution for autonomous driving and has attracted increasing attention recently. Most existing end-to-end autonomous driving methods factorize this problem into perception, motion prediction, and planning. However, we argue that the conventional progressive pipeline still cannot comprehensively model the entire traffic evolution process, e.g., the future interaction between the ego car and other traffic participants and the structural trajectory prior. In this paper, we explore a new paradigm for end-to-end autonomous driving, where the key is to predict how the ego car and the surroundings evolve given past scenes. We propose GenAD, a generative framework that casts autonomous driving into a generative modeling problem. We propose an instance-centric scene tokenizer that first transforms the surrounding scenes into map-aware instance tokens. We then employ a variational autoencoder to learn the future trajectory distribution in a structural latent space for trajectory prior modeling. We further adopt a temporal model to capture the agent and ego movements in the latent space to generate more effective future trajectories. GenAD finally simultaneously performs motion prediction and planning by sampling distributions in the learned structural latent space conditioned on the instance tokens and using the learned temporal model to generate futures. Extensive experiments on the widely used nuScenes benchmark show that the proposed GenAD achieves state-of-the-art performance on vision-centric end-to-end autonomous driving with high efficiency. Code: https://github.com/wzzheng/GenAD.

Sparse GNN training reduces computation, but deciding which edges to keep can be costly. Reusing one sparse graph is cheap, but locks training to a fixed topology, while varying it across epochs can require repeated sampling or recomputation. We introduce EDiS (Edge-Disjoint Subgraph sparsification framework), which separates one-time structural extraction from per-epoch graph composition. EDiS decomposes the graph once into cacheable edge-disjoint subgraphs, then recombines them into graphs with edge-budget constraints across epochs and retention ratios without re-extracting structure. Our default construction uses feature-based scores and successive maximum score covering forests, while the same composition mechanism also supports alternative edge selection rules. We provide a combinatorial analysis of the per-epoch sampler, the composition step that draws a training graph from the cached decomposition. We show that, under the default covering-forest selector, the stored decomposition deterministically preserves high-score cut edges, and we derive a selector-agnostic conditional bound on high-score cut survival in composed training graphs. Across 19 homophilic, heterophilic, and large-scale node classification benchmarks against 17 baselines under the same edge budget, EDiS achieves the highest mean benchmark score (accuracy/ROC-AUC) and the lowest average rank and gap-to-best among ranked methods. Ablations show the clearest benefits of structural decomposition and epoch variation at tight edge budgets.

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way for creating and advancing innovative medications applicable in practical settings. However, existing DDI prediction models continue to face challenges related to generalization in extreme cases, robust feature extraction, and real-life application possibilities. We aim to address these challenges by leveraging the effectiveness of context-aware deep graph learning by introducing a novel framework named CADGL. Based on a customized variational graph autoencoder (VGAE), we capture critical structural and physio-chemical information using two context preprocessors for feature extraction from two different perspectives: local neighborhood and molecular context, in a heterogeneous graphical structure. Our customized VGAE consists of a graph encoder, a latent information encoder, and an MLP decoder. CADGL surpasses other state-of-the-art DDI prediction models, excelling in predicting clinically valuable novel DDIs, supported by rigorous case studies.

Bayesian neural networks (BNNs) augment deep networks with uncertainty quantification by Bayesian treatment of the network weights. However, such models face the challenge of Bayesian inference in a high-dimensional and usually over-parameterized space. This paper investigates a new line of Bayesian deep learning by performing Bayesian inference on network structure. Instead of building structure from scratch inefficiently, we draw inspirations from neural architecture search to represent the network structure. We then develop an efficient stochastic variational inference approach which unifies the learning of both network structure and weights. Empirically, our method exhibits competitive predictive performance while preserving the benefits of Bayesian principles across challenging scenarios. We also provide convincing experimental justification for our modeling choice.

Medical image segmentation is crucial for clinical diagnosis and treatment planning. Traditional methods typically produce a single segmentation mask, failing to capture inherent uncertainty. Recent generative models enable the creation of multiple plausible masks per image, mimicking the collaborative interpretation of several clinicians. However, these approaches remain computationally heavy. We propose MedSegLatDiff, a diffusion based framework that combines a variational autoencoder (VAE) with a latent diffusion model for efficient medical image segmentation. The VAE compresses the input into a low dimensional latent space, reducing noise and accelerating training, while the diffusion process operates directly in this compact representation. We further replace the conventional MSE loss with weighted cross entropy in the VAE mask reconstruction path to better preserve tiny structures such as small nodules. MedSegLatDiff is evaluated on ISIC-2018 (skin lesions), CVC-Clinic (polyps), and LIDC-IDRI (lung nodules). It achieves state of the art or highly competitive Dice and IoU scores while simultaneously generating diverse segmentation hypotheses and confidence maps. This provides enhanced interpretability and reliability compared to deterministic baselines, making the model particularly suitable for clinical deployment.

Personalized recommendation systems shape much of user choice online, yet their targeted nature makes separating out the value of recommendation and the underlying goods challenging. We build a discrete choice model that embeds recommendation-induced utility, low-rank heterogeneity, and flexible state dependence and apply the model to viewership data at Netflix. We exploit idiosyncratic variation introduced by the recommendation algorithm to identify and separately value these components as well as to recover model-free diversion ratios that we can use to validate our structural model. We use the model to evaluate counterfactuals that quantify the incremental engagement generated by personalized recommendations. First, we show that replacing the current recommender system with a matrix factorization or popularity-based algorithm would lead to 4% and 12% reduction in engagement, respectively, and decreased consumption diversity. Second, most of the consumption increase from recommendations comes from effective targeting, not mechanical exposure, with the largest gains for mid-popularity goods (as opposed to broadly appealing or very niche goods).

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights are available at https://github.com/DeepGraphLearning/esm-s.

Unsupervised Reinforcement Learning from Internal Feedback (RLIF) has emerged as a promising paradigm for eliciting the latent capabilities of Large Language Models (LLMs) without external supervision. However, current methods rely on heuristic intrinsic rewards, which often lack a well-defined theoretical optimization target and are prone to degenerative biases. In this work, we introduce PowerFlow, a principled framework that reformulates unsupervised fine-tuning as a distribution matching problem. By casting GFlowNet as an amortized variational sampler for unnormalized densities, we propose a length-aware Trajectory-Balance objective that explicitly neutralizes the structural length biases inherent in autoregressive generation. By targeting α-power distributions, PowerFlow enables the directional elicitation of the dual nature of LLMs: sharpening the distribution (α> 1) to intensify logical reasoning, or flattening it (α< 1) to unlock expressive creativity. Extensive experiments demonstrate that PowerFlow consistently outperforms existing RLIF methods, matching or even exceeding supervised GRPO. Furthermore, by mitigating over-sharpening in aligned models, our approach achieves simultaneous gains in diversity and quality, shifting the Pareto frontier in creative tasks.

Given an incomplete image without additional constraint, image inpainting natively allows for multiple solutions as long as they appear plausible. Recently, multiplesolution inpainting methods have been proposed and shown the potential of generating diverse results. However, these methods have difficulty in ensuring the quality of each solution, e.g. they produce distorted structure and/or blurry texture. We propose a two-stage model for diverse inpainting, where the first stage generates multiple coarse results each of which has a different structure, and the second stage refines each coarse result separately by augmenting texture. The proposed model is inspired by the hierarchical vector quantized variational auto-encoder (VQ-VAE), whose hierarchical architecture isentangles structural and textural information. In addition, the vector quantization in VQVAE enables autoregressive modeling of the discrete distribution over the structural information. Sampling from the distribution can easily generate diverse and high-quality structures, making up the first stage of our model. In the second stage, we propose a structural attention module inside the texture generation network, where the module utilizes the structural information to capture distant correlations. We further reuse the VQ-VAE to calculate two feature losses, which help improve structure coherence and texture realism, respectively. Experimental results on CelebA-HQ, Places2, and ImageNet datasets show that our method not only enhances the diversity of the inpainting solutions but also improves the visual quality of the generated multiple images. Code and models are available at: https://github.com/USTC-JialunPeng/Diverse-Structure-Inpainting.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

While diffusion distillation has enabled one-step generation through methods like Variational Score Distillation, adapting distilled models to emerging new controls -- such as novel structural constraints or latest user preferences -- remains challenging. Conventional approaches typically requires modifying the base diffusion model and redistilling it -- a process that is both computationally intensive and time-consuming. To address these challenges, we introduce Joint Distribution Matching (JDM), a novel approach that minimizes the reverse KL divergence between image-condition joint distributions. By deriving a tractable upper bound, JDM decouples fidelity learning from condition learning. This asymmetric distillation scheme enables our one-step student to handle controls unknown to the teacher model and facilitates improved classifier-free guidance (CFG) usage and seamless integration of human feedback learning (HFL). Experimental results demonstrate that JDM surpasses baseline methods such as multi-step ControlNet by mere one-step in most cases, while achieving state-of-the-art performance in one-step text-to-image synthesis through improved usage of CFG or HFL integration.

Robotic systems operating in unstructured environments require the ability to switch between compliant and rigid states to perform diverse tasks such as adaptive grasping, high-force manipulation, shape holding, and navigation in constrained spaces, among others. However, many existing variable stiffness solutions rely on complex actuation schemes, continuous input power, or monolithic designs, limiting their modularity and scalability. This paper presents the Programmable Locking Cell (PLC)-a modular, tendon-driven unit that achieves discrete stiffness modulation through mechanically interlocked joints actuated by cable tension. Each unit transitions between compliant and firm states via structural engagement, and the assembled system exhibits high stiffness variation-up to 950% per unit-without susceptibility to damage under high payload in the firm state. Multiple PLC units can be assembled into reconfigurable robotic structures with spatially programmable stiffness. We validate the design through two functional prototypes: (1) a variable-stiffness gripper capable of adaptive grasping, firm holding, and in-hand manipulation; and (2) a pipe-traversing robot composed of serial PLC units that achieves shape adaptability and stiffness control in confined environments. These results demonstrate the PLC as a scalable, structure-centric mechanism for programmable stiffness and motion, enabling robotic systems with reconfigurable morphology and task-adaptive interaction.

Market generators using deep generative models have shown promise for synthetic financial data generation, but existing approaches lack causal reasoning capabilities essential for counterfactual analysis and risk assessment. We propose a Time-series Neural Causal Model VAE (TNCM-VAE) that combines variational autoencoders with structural causal models to generate counterfactual financial time series while preserving both temporal dependencies and causal relationships. Our approach enforces causal constraints through directed acyclic graphs in the decoder architecture and employs the causal Wasserstein distance for training. We validate our method on synthetic autoregressive models inspired by the Ornstein-Uhlenbeck process, demonstrating superior performance in counterfactual probability estimation with L1 distances as low as 0.03-0.10 compared to ground truth. The model enables financial stress testing, scenario analysis, and enhanced backtesting by generating plausible counterfactual market trajectories that respect underlying causal mechanisms.

Scaling Diffusion Transformers (DiTs) to hundreds of layers introduces a structural vulnerability: networks can enter a silent, mean-dominated collapse state that homogenizes token representations and suppresses centered variation. Through mechanistic auditing, we isolate the trigger event of this collapse as Mean Mode Screaming (MMS). MMS can occur even when training appears stable, with a mean-coherent backward shock on residual writers that opens deep residual branches and drives the network into a mean-dominated state. We show this behavior is driven by an exact decomposition of these gradients into mean-coherent and centered components, compounded by the structural suppression of attention-logit gradients through the null space of the Softmax Jacobian once values homogenize. To address this, we propose Mean-Variance Split (MV-Split) Residuals, which combine a separately gained centered residual update with a leaky trunk-mean replacement. On a 400-layer single-stream DiT, MV-Split prevents the divergent collapse that crashes the un-stabilized baseline; it tracks close to the baseline's pre-crash trajectory while remaining substantially better than token-isotropic gating methods such as LayerScale across the full schedule. Finally, we present a 1000-layer DiT as a scale-validation run at boundary scales, establishing that the architecture remains stably trainable at extreme depth.

While post-training improves the capabilities of large language models (LLMs), it generally lowers their output diversity and creativity, negatively impacting tasks that explicitly require creativity (e.g., story generation) as well as those that require it implicitly, e.g., reinforcement learning (RL). We instead propose CreativeInstruct, a scalable instruction-tuning method that teaches LLMs to balance creative, base-model-like generations with the quality of post-trained models, by learning to inject special [StartCreativity] spans that bias generation toward creativity. Furthermore, we introduce a structural diversity metric based on graph edit distance, which captures narrative level variation missed by purely lexical and semantic metrics. On narrative generation, CreativeInstruct matches or exceeds the diversity of both multi-model baselines and distilled variants of their outputs, without sacrificing quality or requiring multiple models at inference time. These results are mirrored in our human evaluation, where we find that annotators rate CreativeInstruct generations as more creative than the post-trained LLMs' generations in 70.3% of cases. We also show the benefits of creative models as a substrate for RL: GRPO applied to a CreativeInstruct checkpoint improves by ~4% on AMC and ~5% points on MATH over the same training applied to the post-trained checkpoint.

Despite strong performance on existing benchmarks, it remains unclear whether large language models can reason over genuinely novel scientific information. Most evaluations score end-to-end RAG pipelines, where reasoning is confounded with retrieval and toolchain choices, and the signal is further contaminated by parametric memorization and open-web volatility. We introduce DeR2, a controlled deep-research sandbox that isolates document-grounded reasoning while preserving core difficulties of deep search: multi-step synthesis, denoising, and evidence-based conclusion making. DeR2 decouples evidence access from reasoning via four regimes--Instruction-only, Concepts (gold concepts without documents), Related-only (only relevant documents), and Full-set (relevant documents plus topically related distractors)--yielding interpretable regime gaps that operationalize retrieval loss vs. reasoning loss and enable fine-grained error attribution. To prevent parametric leakage, we apply a two-phase validation that requires parametric failure without evidence while ensuring oracle-concept solvability. To ensure reproducibility, each instance provides a frozen document library (drawn from 2023-2025 theoretical papers) with expert-annotated concepts and validated rationales. Experiments across a diverse set of state-of-the-art foundation models reveal substantial variation and significant headroom: some models exhibit mode-switch fragility, performing worse with the Full-set than with Instruction-only, while others show structural concept misuse, correctly naming concepts but failing to execute them as procedures.

Structural priming is a cognitive phenomenon where exposure to a particular syntactic structure increases the likelihood of producing the same structure in subsequent utterances. While humans consistently demonstrate structural priming effects across various linguistic contexts, it remains unclear whether multimodal large language models (MLLMs) exhibit similar syntactic preservation behaviors. We introduce PRISMATIC, the first multimodal structural priming dataset, which advances computational linguistics by providing a standardized benchmark for investigating syntax-vision interactions. We propose the Syntactic Preservation Index (SPI), a novel reference-free evaluation metric designed specifically to assess structural priming effects in sentence level. Using this metric, we constructed and tested models with two different multimodal encoding architectures to investigate their structural preservation capabilities. Our experimental results demonstrate that models with both encoding methods show comparable syntactic priming effects. However, only fusion-encoded models exhibit robust positive correlations between priming effects and visual similarity, suggesting a cognitive process more aligned with human psycholinguistic patterns. This work provides new insights into evaluating and understanding how syntactic information is processed in multimodal language models.

Graphs can be leveraged to model polyphonic multitrack symbolic music, where notes, chords and entire sections may be linked at different levels of the musical hierarchy by tonal and rhythmic relationships. Nonetheless, there is a lack of works that consider graph representations in the context of deep learning systems for music generation. This paper bridges this gap by introducing a novel graph representation for music and a deep Variational Autoencoder that generates the structure and the content of musical graphs separately, one after the other, with a hierarchical architecture that matches the structural priors of music. By separating the structure and content of musical graphs, it is possible to condition generation by specifying which instruments are played at certain times. This opens the door to a new form of human-computer interaction in the context of music co-creation. After training the model on existing MIDI datasets, the experiments show that the model is able to generate appealing short and long musical sequences and to realistically interpolate between them, producing music that is tonally and rhythmically consistent. Finally, the visualization of the embeddings shows that the model is able to organize its latent space in accordance with known musical concepts.

Currently, methods for single-image deblurring based on CNNs and transformers have demonstrated promising performance. However, these methods often suffer from perceptual limitations, poor generalization ability, and struggle with heavy or complex blur. While diffusion-based methods can partially address these shortcomings, their multi-step denoising process limits their practical usage. In this paper, we conduct an in-depth exploration of diffusion models in deblurring and propose a one-step diffusion model for deblurring (OSDD), a novel framework that reduces the denoising process to a single step, significantly improving inference efficiency while maintaining high fidelity. To tackle fidelity loss in diffusion models, we introduce an enhanced variational autoencoder (eVAE), which improves structural restoration. Additionally, we construct a high-quality synthetic deblurring dataset to mitigate perceptual collapse and design a dynamic dual-adapter (DDA) to enhance perceptual quality while preserving fidelity. Extensive experiments demonstrate that our method achieves strong performance on both full and no-reference metrics. Our code and pre-trained model will be publicly available at https://github.com/xyLiu339/OSDD.

Small object detection in unmanned aerial vehicle (UAV) imagery is challenging, mainly due to scale variation, structural detail degradation, and limited computational resources. In high-altitude scenarios, fine-grained features are further weakened during hierarchical downsampling and cross-scale fusion, resulting in unstable localization and reduced robustness. To address this issue, we propose CollabOD, a lightweight collaborative detection framework that explicitly preserves structural details and aligns heterogeneous feature streams before multi-scale fusion. The framework integrates Structural Detail Preservation, Cross-Path Feature Alignment, and Localization-Aware Lightweight Design strategies. From the perspectives of image processing, channel structure, and lightweight design, it optimizes the architecture of conventional UAV perception models. The proposed design enhances representation stability while maintaining efficient inference. A unified detail-aware detection head further improves regression robustness without introducing additional deployment overhead. The code is available at: https://github.com/Bai-Xuecheng/CollabOD.

Visual navigation requires agents to reach goals in complex environments through perception and planning. World models address this task by simulating action-conditioned state transitions to predict future observations. Current navigation world models typically learn state evolution under actions within the compressed latent space of a Variational Autoencoder, where spatial compression often discards fine-grained structural information and hinders precise control. To better understand the propagation characteristics of different representations, we conduct a linear dynamics probe and observe that dense DINOv2 features exhibit stronger linear predictability for action-conditioned transitions. Motivated by this observation, we propose the Representation Autoencoder-based Navigation World Model (RAE-NWM), which models navigation dynamics in a dense visual representation space. We employ a Conditional Diffusion Transformer with Decoupled Diffusion Transformer head (CDiT-DH) to model continuous transitions, and introduce a separate time-driven gating module for dynamics conditioning to regulate action injection strength during generation. Extensive evaluations show that modeling sequential rollouts in this space improves structural stability and action accuracy, benefiting downstream planning and navigation.

As large language models become increasingly capable at various writing tasks, their weakness at generating unique and creative content becomes a major liability. Although LLMs have the ability to generate text covering diverse topics, there is an overall sense of repetitiveness across texts that we aim to formalize and quantify via a similarity metric. The familiarity between documents arises from the persistence of underlying discourse structures. However, existing similarity metrics dependent on lexical overlap and syntactic patterns largely capture content overlap, thus making them unsuitable for detecting structural similarities. We introduce an abstraction based on linguistic theories in Questions Under Discussion (QUD) and question semantics to help quantify differences in discourse progression. We then use this framework to build QUDsim, a similarity metric that can detect discursive parallels between documents. Using QUDsim, we find that LLMs often reuse discourse structures (more so than humans) across samples, even when content differs. Furthermore, LLMs are not only repetitive and structurally uniform, but are also divergent from human authors in the types of structures they use.

A recent line of works showed regret bounds in reinforcement learning (RL) can be (nearly) independent of planning horizon, a.k.a.~the horizon-free bounds. However, these regret bounds only apply to settings where a polynomial dependency on the size of transition model is allowed, such as tabular Markov Decision Process (MDP) and linear mixture MDP. We give the first horizon-free bound for the popular linear MDP setting where the size of the transition model can be exponentially large or even uncountable. In contrast to prior works which explicitly estimate the transition model and compute the inhomogeneous value functions at different time steps, we directly estimate the value functions and confidence sets. We obtain the horizon-free bound by: (1) maintaining multiple weighted least square estimators for the value functions; and (2) a structural lemma which shows the maximal total variation of the inhomogeneous value functions is bounded by a polynomial factor of the feature dimension.

Music generation has progressed significantly, especially in the domain of audio generation. However, generating symbolic music that is both long-structured and expressive remains a significant challenge. In this paper, we propose PerceiverS (Segmentation and Scale), a novel architecture designed to address this issue by leveraging both Effective Segmentation and Multi-Scale attention mechanisms. Our approach enhances symbolic music generation by simultaneously learning long-term structural dependencies and short-term expressive details. By combining cross-attention and self-attention in a Multi-Scale setting, PerceiverS captures long-range musical structure while preserving performance nuances. The proposed model, evaluated on datasets like Maestro, demonstrates improvements in generating coherent and diverse music with both structural consistency and expressive variation. The project demos and the generated music samples can be accessed through the link: https://perceivers.github.io.

As AI agents become integral to enterprise workflows, their reliance on shared tool libraries and pre-trained components creates significant supply chain vulnerabilities. While previous work has demonstrated behavioral backdoor detection within individual LLM architectures, the critical question of cross-LLM generalization remains unexplored, a gap with serious implications for organizations deploying multiple AI systems. We present the first systematic study of cross-LLM behavioral backdoor detection, evaluating generalization across six production LLMs (GPT-5.1, Claude Sonnet 4.5, Grok 4.1, Llama 4 Maverick, GPT-OSS 120B, and DeepSeek Chat V3.1). Through 1,198 execution traces and 36 cross-model experiments, we quantify a critical finding: single-model detectors achieve 92.7% accuracy within their training distribution but only 49.2% across different LLMs, a 43.4 percentage point generalization gap equivalent to random guessing. Our analysis reveals that this gap stems from model-specific behavioral signatures, particularly in temporal features (coefficient of variation > 0.8), while structural features remain stable across architectures. We show that model-aware detection incorporating model identity as an additional feature achieves 90.6% accuracy universally across all evaluated models. We release our multi-LLM trace dataset and detection framework to enable reproducible research.

Remote sensing images acquired by unmanned aerial vehicles (UAVs) and satellites are often degraded by adverse weather, illumination variation, and imaging artifacts, which may co-occur and jointly induce global distribution shifts and local structural corruption. Although All-in-One image restoration offers an appealing unified alternative to task-specific pipelines, existing methods still suffer from weak or implicit degradation cues and parameter redundancy caused by full-rank multi-expert designs with overlapping restoration behaviors. We propose CoRE-UIR (Common and Residual Experts for Universal Image Restoration), a prior-guided global-local framework centered on the Common-and-Residual Expert Block (CoRE). CoRE explicitly decomposes restoration capacity into a common dense expert for degradation-invariant restoration and low-rank residual experts for degradation-specific compensation, enabling adaptive specialization without redundant expert replication. Built on this design, Degradation Prior Embedding (DPE) adapts frozen CLIP features into an explicit restoration-oriented prior, while Global Feature Modulation (GFM) aligns global feature statistics before local residual compensation. We also construct MDVD-108K (Multi-Degradation VisDrone), a large-scale UAV restoration dataset covering both single and compound degradations, together with a real-world test set. Extensive experiments on multiple datasets show that CoRE-UIR improves the overall average PSNR by 1.05 dB while running 11.83times faster and reducing peak memory by 85.3% relative to the strongest baseline, BaryIR, thereby maintaining a favorable quality-efficiency trade-off. Evaluations on downstream tasks and unseen degradation also validate the generalizability of CoRE-UIR. The code and dataset will be released at https://github.com/zzaiyan/CoRE-UIR.

Visual Place Recognition (VPR) localizes a query image by retrieving database images of the same or nearby place, yet its robustness is often degraded by domain shifts arising from illumination, weather, seasonal changes, and dynamic occlusions. One contributing factor is the limited appearance diversity of the same place in existing training data. To address this issue, we propose AdaptVPR, a route-aware generative augmentation framework that constructs same-place hard positives for robust VPR training. AdaptVPR first uses a vision language model to parse scene attributes and estimate editing feasibility, while a rule-based scheduler determines the generation route according to editability scores and risk constraints. The generation process is decomposed into three complementary routes: the Global Appearance Route introduces global scene changes in weather, illumination, and time of day; the Local Occlusion Route inserts plausible dynamic occluders; and the Dual Route combines both types of perturbations to produce more challenging appearance shifts. Each generated candidate is evaluated using a VPR-oriented verification scheme based on geometric consistency and appearance diversity, reducing the risk of structural drift while ensuring sufficient appearance variation. Global candidates are generated once and rejected if verification fails, while Local Occlusion and Dual candidates use verification feedback for limited prompt refinement and regeneration. Using this framework, we construct AdaptCities, containing 160K verified synthetic same-place hard positives. Experiments across multiple VPR baselines and vision foundation backbones show consistent gains on standard benchmarks and substantial improvements under challenging domain shifts, with R@1 gains of up to 9.2%. The source code and data resources are publicly available at https://github.com/chenshunpeng/AdaptVPR.

Deployed vision models auto-accept confident predictions, so high-confidence errors propagate silently. Maximum Softmax Probability (MSP), the standard failure predictor, has a structural blind spot: as a scalar read from the classifier head, it is first-order blind to feature variation orthogonal to its confidence gradient. Through a factorial analysis of feature-space detectors, we identify a conditional-redundancy principle explaining why they fail to complement MSP: the class-separability geometry they measure is already encoded in MSP and collapses under fusion. The signal that survives is class-conditional typicality on the off-manifold residual---and because this residual's distribution varies by backbone, from near-Gaussian to heavy-tailed, it must be estimated non-parametrically. We instantiate these findings as CANARY, a training-free detector that computes a per-class kNN distance on the PCA residual of the penultimate feature, percentile-calibrates it on validation data, and fuses it with MSP through a single validation-tuned weight. CANARY's benefit follows a headroom law: gains grow as baseline MSP quality falls, so a single clean-validation number forecasts the improvement. With every parameter selected on in-distribution data alone, CANARY matches or improves 382 of 385 shift cells (e-AURC; 379 on AUROC) across five backbones, with worst-case regression within seed noise (-0.0002 AUROC) and the largest gains on natural distribution shifts (ImageNet-A/R, ObjectNet)---where deployed models are most exposed.

Large language models (LLMs) have achieved remarkable success across various domains, driving significant technological advancements and innovations. Despite the rapid growth in model scale and capability, systematic, data-driven research on how structural configurations affect performance remains scarce. To address this gap, we present a large-scale dataset encompassing diverse open-source LLM structures and their performance across multiple benchmarks. Leveraging this dataset, we conduct a systematic, data mining-driven analysis to validate and quantify the relationship between structural configurations and performance. Our study begins with a review of the historical development of LLMs and an exploration of potential future trends. We then analyze how various structural choices impact performance across benchmarks and further corroborate our findings using mechanistic interpretability techniques. By providing data-driven insights into LLM optimization, our work aims to guide the targeted development and application of future models. We will release our dataset at https://huggingface.co/datasets/DX0369/LLM-Structure-Performance-Dataset

In this paper, we show that the performance of a learnt generative model is closely related to the model's ability to accurately represent the inferred latent data distribution, i.e. its topology and structural properties. We propose LaDDer to achieve accurate modelling of the latent data distribution in a variational autoencoder framework and to facilitate better representation learning. The central idea of LaDDer is a meta-embedding concept, which uses multiple VAE models to learn an embedding of the embeddings, forming a ladder of encodings. We use a non-parametric mixture as the hyper prior for the innermost VAE and learn all the parameters in a unified variational framework. From extensive experiments, we show that our LaDDer model is able to accurately estimate complex latent distribution and results in improvement in the representation quality. We also propose a novel latent space interpolation method that utilises the derived data distribution.

Text-conditioned generative models for volumetric medical imaging provide semantic control but lack explicit anatomical guidance, often resulting in outputs that are spatially ambiguous or anatomically inconsistent. In contrast, structure-driven methods ensure strong anatomical consistency but typically assume access to ground-truth annotations, which are unavailable when the target image is to be synthesized. We propose a retrieval-augmented approach for Text-to-CT generation that integrates semantic and anatomical information under a realistic inference setting. Given a radiology report, our method retrieves a semantically related clinical case using a 3D vision-language encoder and leverages its associated anatomical annotation as a structural proxy. This proxy is injected into a text-conditioned latent diffusion model via a ControlNet branch, providing coarse anatomical guidance while maintaining semantic flexibility. Experiments on the CT-RATE dataset show that retrieval-augmented generation improves image fidelity and clinical consistency compared to text-only baselines, while additionally enabling explicit spatial controllability, a capability inherently absent in such approaches. Further analysis highlights the importance of retrieval quality, with semantically aligned proxies yielding consistent gains across all evaluation axes. This work introduces a principled and scalable mechanism to bridge semantic conditioning and anatomical plausibility in volumetric medical image synthesis. Code will be released.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

Multiple epidemic waves are often taken as evidence that simple compartmental models are structurally inadequate. Yet the key question is not whether a simple model can reproduce multiple peaks, but how much time-varying structure is minimally required to preserve observed epidemic-wave patterns and what can legitimately be inferred from such a representation. Using the susceptible-infectious-removed (SIR) model, we develop a framework for peak-preserving dynamic parsimony linking dynamical systems, inverse problems, statistical inference, and infectious-disease modeling. We establish exact multi-wave representability under time-varying transmission, characterize conditions for epidemic peaks and resurgence, and show the incidence-only non-identifiability of time-varying transmission and removal rates. Our main methodological contribution is minimal peak-preserving complexity (MPPC): the smallest dimension of a positive time-varying transmission function whose posterior-predictive trajectories preserve salient features, including peak count, timing, height, trough depth, and whole-curve agreement. We estimate MPPC using peak-aware approximate Bayesian computation and evaluate it through six reproducible stress tests, a Philippine COVID-19 reported-case proof of concept, and short-term future-knot projection. Across diverse data-generating mechanisms, low-dimensional time-varying SIR models can preserve aggregate epidemic-wave topology with modest dynamic complexity. However, accurate trajectory compression does not imply recovery of the underlying mechanism or reliable long-term counterfactual prediction. The framework therefore separates four often-conflated questions: representability, minimal dynamic complexity, mechanistic identifiability, and projection validity, providing a basis for parsimonious modeling of complex epidemic trajectories.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

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.

Given a 3-dimensional (para-)CR structure, its family of chains define a 3-dimensional path geometry. We provide necessary and sufficient conditions that determine whether a path geometry in dimension three arises from chains of a CR or para-CR 3-manifold. We demonstrate how our characterization can be verified computationally for a given 3-dimensional path geometry and discuss a few examples.

Text-guided generative diffusion models unlock powerful image creation and editing tools. While these have been extended to video generation, current approaches that edit the content of existing footage while retaining structure require expensive re-training for every input or rely on error-prone propagation of image edits across frames. In this work, we present a structure and content-guided video diffusion model that edits videos based on visual or textual descriptions of the desired output. Conflicts between user-provided content edits and structure representations occur due to insufficient disentanglement between the two aspects. As a solution, we show that training on monocular depth estimates with varying levels of detail provides control over structure and content fidelity. Our model is trained jointly on images and videos which also exposes explicit control of temporal consistency through a novel guidance method. Our experiments demonstrate a wide variety of successes; fine-grained control over output characteristics, customization based on a few reference images, and a strong user preference towards results by our model.

Neural models are usually adapted through changes in parameters shared among model components via fine-tuning, alignment-based training, and reinforcement learning. These changes have been found effective in short-term optimization. However, they result in long-term alterations in the model's base behavior. In this study, we introduce the concept of structural irreversibility as a characteristic of shared-parameter model adaptation. This concept refers to the intertwining of task-specific objectives with the representational identity of the model. We show that when parameters are directly mutated, the resulting model behaves divergently from the original model. This divergence cannot be reversed deterministically without an explicit parameter snapshot. We introduce reversible behavioral learning, in which model behaviors are structurally dissociated from identity parameters and can be deterministically unloaded through an explicit unload process. We also introduce the Recoverability Factor as a normalized measure of behavioral recoverability and provide additional diagnostics based on model divergence. Experiments show that reversible model adaptation achieves rollback within numerical precision, whereas shared-parameter mutation exhibits persistent post-reset divergence.

The aim of this article is to introduce a new methodology for constructing morphings between shapes that have identical topology. This morphing is obtained by deforming a reference shape, through the resolution of a sequence of linear elasticity equations, onto the target shape. In particular, our approach does not assume any knowledge of a boundary parametrization. Furthermore, we demonstrate how constraints can be imposed on specific points, lines and surfaces in the reference domain to ensure alignment with their counterparts in the target domain after morphing. Additionally, we show how the proposed methodology can be integrated in an offline and online paradigm, which is useful in reduced-order modeling scenarii involving variable shapes. This framework facilitates the efficient computation of the morphings in various geometric configurations, thus improving the versatility and applicability of the approach. The methodology is illustrated on the regression problem of the drag and lift coefficients of airfoils of non-parameterized variable shapes.

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.

This paper introduces StructDiff, a generative framework based on a single-scale diffusion model for single-image generation. Single-image generation aims to synthesize diverse samples with similar visual content to the source image by capturing its internal statistics, without relying on external data. However, existing methods often struggle to preserve the structural layout, especially for images with large rigid objects or strict spatial constraints. Moreover, most approaches lack spatial controllability, making it difficult to guide the structure or placement of generated content. To address these challenges, StructDiff introduces an adaptive receptive field module to maintain both global and local distributions. Building on this foundation, StructDiff incorporates 3D positional encoding (PE) as a spatial prior, allowing flexible control over positions, scale, and local details of generated objects. To our knowledge, this spatial control capability represents the first exploration of PE-based manipulation in single-image generation. Furthermore, we propose a novel evaluation criterion for single-image generation based on large language models (LLMs). This criterion specifically addresses the limitations of existing objective metrics and the high labor costs associated with user studies. StructDiff also demonstrates broad applicability across downstream tasks, such as text-guided image generation, image editing, outpainting, and paint-to-image synthesis. Extensive experiments demonstrate that StructDiff outperforms existing methods in structural consistency, visual quality, and spatial controllability. The project page is available at https://butter-crab.github.io/StructDiff/.

Forecasting the future anatomy of slow-evolving neurodegenerative diseases could enable earlier, more targeted intervention and improve clinical trial design, but it remains challenging because true progression signals are subtle in longitudinal MRI. In this low-signal regime, transferring modern generative sequence models directly is unreliable: training is dominated by stable baseline anatomy and confounded by dense, sample-specific nuisance variation. We first provide a theoretical analysis that explains these failures through two modes. Identity collapse occurs when optimization is driven toward reproducing the current anatomy, which prevents the model from learning faint temporal change. The continuous interpolation trap arises when standard smooth networks cannot separate localized biological drift from pervasive noise, which leads to spurious changes that diffuse across the volume. To address both issues, we propose Latent Drift, a progressive generative framework that learns change in a compressed semantic representation rather than synthesizing full-resolution anatomy. This design removes pixel-level identity from the prediction target and concentrates model capacity on progression-relevant dynamics. We further apply Finite Scalar Quantization to the learned change representation, which suppresses small, high-frequency nuisance fluctuations while preserving consistent structural drift. Experiments on longitudinal 3D brain MRI show that Latent Drift improves patient-specific neuro-forecasting over diffusion and autoregressive transformer baselines across generative fidelity and clinically relevant evaluation metrics. Project page: https://cutepkq.github.io/latent-drift{https://cutepkq.github.io/latent-drift}.

We consider the problem of antibody sequence design given 3D structural information. Building on previous work, we propose a fine-tuned inverse folding model that is specifically optimised for antibody structures and outperforms generic protein models on sequence recovery and structure robustness when applied on antibodies, with notable improvement on the hypervariable CDR-H3 loop. We study the canonical conformations of complementarity-determining regions and find improved encoding of these loops into known clusters. Finally, we consider the applications of our model to drug discovery and binder design and evaluate the quality of proposed sequences using physics-based methods.

Multi-task learning has the potential to improve generalization by maximizing positive transfer between tasks while reducing task interference. Fully achieving this potential is hindered by manually designed architectures that remain static throughout training. On the contrary, learning in the brain occurs through structural changes that are in tandem with changes in synaptic strength. Thus, we propose Multi-Task Structural Learning (MTSL) that simultaneously learns the multi-task architecture and its parameters. MTSL begins with an identical single-task network for each task and alternates between a task-learning phase and a structural-learning phase. In the task learning phase, each network specializes in the corresponding task. In each of the structural learning phases, starting from the earliest layer, locally similar task layers first transfer their knowledge to a newly created group layer before being removed. MTSL then uses the group layer in place of the corresponding removed task layers and moves on to the next layers. Our empirical results show that MTSL achieves competitive generalization with various baselines and improves robustness to out-of-distribution data.

Antibody design is an essential yet challenging task in various domains like therapeutics and biology. There are two major defects in current learning-based methods: 1) tackling only a certain subtask of the whole antibody design pipeline, making them suboptimal or resource-intensive. 2) omitting either the framework regions or side chains, thus incapable of capturing the full-atom geometry. To address these pitfalls, we propose dynamic Multi-channel Equivariant grAph Network (dyMEAN), an end-to-end full-atom model for E(3)-equivariant antibody design given the epitope and the incomplete sequence of the antibody. Specifically, we first explore structural initialization as a knowledgeable guess of the antibody structure and then propose shadow paratope to bridge the epitope-antibody connections. Both 1D sequences and 3D structures are updated via an adaptive multi-channel equivariant encoder that is able to process protein residues of variable sizes when considering full atoms. Finally, the updated antibody is docked to the epitope via the alignment of the shadow paratope. Experiments on epitope-binding CDR-H3 design, complex structure prediction, and affinity optimization demonstrate the superiority of our end-to-end framework and full-atom modeling.

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language Models (LLMs) for automatic structural analysis. To address this gap, we propose a novel framework that integrates LLMs with structural analysis software. LLMs serve as the core engine: they parse structural descriptions from text and translate them into executable Python scripts. Moreover, the framework integrates the generative capabilities of LLMs with code-based finite element (FE) tools like OpenSeesPy. It employs domain-specific prompt design and in-context learning strategies to enhance the LLM's problem-solving capabilities and generative stability, enabling fully automated structural analysis from descriptive text to model outputs. In our experiments, we introduce a well-curated small-scale benchmark dataset of 20 structural analysis word problems (SAWPs) with ground-truth solutions and evaluate the performance of different LLMs within our framework in solving these SAWPs. The role of system instructions, crafted by structural engineers, is also investigated to understand their impact on LLM-driven structural analysis. Additionally, the generative stability of our framework is examined. Through multiple validation experiments on the benchmark, our results demonstrate that the proposed framework can substantially increase the level of automation in solving SAWPs compared to traditional methods. Quantitatively, the framework, built on GPT-4o, achieved 100% accuracy, surpassing GPT-4 (85%), Gemini 1.5 Pro (80%), and Llama-3.3 (30%) on the test examples. Furthermore, integrating domain-specific instructions enhanced performance by 30% on problems with asymmetrical structural configurations.

Existing interpretability tools do not test whether a representation keeps the same content when only the phrasing changes. We treat each paraphrase pair as a local witness that two activations should agree and build a cellular sheaf over the paraphrase graph; its Laplacian L_F answers the question on a frozen model with no training. The kernel H^0 is a content subspace: at 20 dimensions it beats the preserved subspace of the concept eraser LEACE on held-out CounterFact fact retrieval across eight architectures by a mean +17.1\,pp, and constraining all paraphrases of a fact jointly adds a further +6.5\,pp. The spectral complement concentrates causal influence: ablating the most paraphrase-variable coordinates, a coordinate-wise proxy for it, changes model outputs 5.6 to 26.5times more than ablating coordinates of matched per-coordinate variability, across nine models from 124M to 13B parameters. Stacking layers into a grid creates b_1 = N(L-1) algebraic 1-cycles, and the resulting model-derived harmonic mass varies by nearly three orders of magnitude across six architectures and ranks them as their steering fragility does (Spearman ρ= 0.90, exact one-sided permutation p = 0.014). The same paraphrase graph yields the content subspace, the influence directions, and the fragility measure. Project page: https://cwru-aism.github.io/gluing-lc-page/

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

Languages can encode temporal subordination lexically, via subordinating conjunctions, and morphologically, by marking the relation on the predicate. Systematic cross-linguistic variation among the former can be studied using well-established token-based typological approaches to token-aligned parallel corpora. Variation among different morphological means is instead much harder to tackle and therefore more poorly understood, despite being predominant in several language groups. This paper explores variation in the expression of generic temporal subordination ('when'-clauses) among the languages of Latin America and the Caribbean, where morphological marking is particularly common. It presents probabilistic semantic maps computed on the basis of the languages of the region, thus avoiding bias towards the many world's languages that exclusively use lexified connectors, incorporating associations between character n-grams and English when. The approach allows capturing morphological clause-linkage devices in addition to lexified connectors, paving the way for larger-scale, strategy-agnostic analyses of typological variation in temporal subordination.

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.

Generative models of protein conformational ensembles inherit much of their design from structure prediction for folded proteins. Ordered and disordered proteins, however, occupy distinct structural regimes, and we investigate how design choices hold up across them. Using a minimal Cα flow-matching model, we ablate choices of architecture, sequence conditioning, rigid-body alignment and training source, and evaluate each variant against experimental SAXS and NMR chemical-shift data partitioned into ordered, disordered, multi-domain and transitional proteins. Mixture-of-experts routing, a static pair representation and a disorder probe have no detectable effect, a smaller protein language model performs worse on ordered proteins but not on disordered ones, and alignment in the loss degrades agreement with SAXS. Replacing coarse-grained simulations of disordered proteins with fragment-assembled ensembles improves agreement with chemical shifts at a cost to SAXS, while an equal mixture of the two keeps most of the gain at a smaller cost. This points to the training data, rather than the architecture, as the main constraint.

We conduct a large empirical evaluation to investigate the landscape of distributional robustness in question answering. Our investigation spans over 350 models and 16 question answering datasets, including a diverse set of architectures, model sizes, and adaptation methods (e.g., fine-tuning, adapter tuning, in-context learning, etc.). We find that, in many cases, model variations do not affect robustness and in-distribution performance alone determines out-of-distribution performance. Moreover, our findings indicate that i) zero-shot and in-context learning methods are more robust to distribution shifts than fully fine-tuned models; ii) few-shot prompt fine-tuned models exhibit better robustness than few-shot fine-tuned span prediction models; iii) parameter-efficient and robustness enhancing training methods provide no significant robustness improvements. In addition, we publicly release all evaluations to encourage researchers to further analyze robustness trends for question answering models.

Structural biology relies on accurate three-dimensional biomolecular structures to advance our understanding of biological functions, disease mechanisms, and therapeutics. While recent advances in deep learning have enabled the development of all-atom foundation models for molecular modeling and generation, existing approaches face challenges in generalization due to the multi-modal nature of atomic data and the lack of comprehensive analysis of training and sampling strategies. To address these limitations, we propose PharMolixFM, a unified framework for constructing all-atom foundation models based on multi-modal generative techniques. Our framework includes three variants using state-of-the-art multi-modal generative models. By formulating molecular tasks as a generalized denoising process with task-specific priors, PharMolixFM achieves robust performance across various structural biology applications. Experimental results demonstrate that PharMolixFM-Diff achieves competitive prediction accuracy in protein-small-molecule docking (83.9% vs. 90.2% RMSD < 2Å, given pocket) with significantly improved inference speed. Moreover, we explore the empirical inference scaling law by introducing more sampling repeats or steps. Our code and model are available at https://github.com/PharMolix/OpenBioMed.

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior inference. These models are particularly appealing for sequential data, where the prior can capture temporal dependencies. However, despite their conceptual elegance, SVAEs have proven difficult to implement, and more general approaches have been favored in practice. Here, we revisit SVAEs using modern machine learning tools and demonstrate their advantages over more general alternatives in terms of both accuracy and efficiency. First, we develop a modern implementation for hardware acceleration, parallelization, and automatic differentiation of the message passing algorithms at the core of the SVAE. Second, we show that by exploiting structure in the prior, the SVAE learns more accurate models and posterior distributions, which translate into improved performance on prediction tasks. Third, we show how the SVAE can naturally handle missing data, and we leverage this ability to develop a novel, self-supervised training approach. Altogether, these results show that the time is ripe to revisit structured variational autoencoders.

The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success in generating novel, functional protein backbones that have not been observed in nature. However, there exists no principled methodological framework for diffusion on SE(3), the space of orientation preserving rigid motions in R3, that operates on frames and confers the group invariance. We address these shortcomings by developing theoretical foundations of SE(3) invariant diffusion models on multiple frames followed by a novel framework, FrameDiff, for learning the SE(3) equivariant score over multiple frames. We apply FrameDiff on monomer backbone generation and find it can generate designable monomers up to 500 amino acids without relying on a pretrained protein structure prediction network that has been integral to previous methods. We find our samples are capable of generalizing beyond any known protein structure.