Daily Papers

We present protein autoregressive modeling (PAR), the first multi-scale autoregressive framework for protein backbone generation via coarse-to-fine next-scale prediction. Using the hierarchical nature of proteins, PAR generates structures that mimic sculpting a statue, forming a coarse topology and refining structural details over scales. To achieve this, PAR consists of three key components: (i) multi-scale downsampling operations that represent protein structures across multiple scales during training; (ii) an autoregressive transformer that encodes multi-scale information and produces conditional embeddings to guide structure generation; (iii) a flow-based backbone decoder that generates backbone atoms conditioned on these embeddings. Moreover, autoregressive models suffer from exposure bias, caused by the training and the generation procedure mismatch, and substantially degrades structure generation quality. We effectively alleviate this issue by adopting noisy context learning and scheduled sampling, enabling robust backbone generation. Notably, PAR exhibits strong zero-shot generalization, supporting flexible human-prompted conditional generation and motif scaffolding without requiring fine-tuning. On the unconditional generation benchmark, PAR effectively learns protein distributions and produces backbones of high design quality, and exhibits favorable scaling behavior. Together, these properties establish PAR as a promising framework for protein structure generation.

Text image super-resolution (Text-SR) requires more than visually plausible detail synthesis: slight errors in stroke topology may alter character identity and break readability. Existing methods improve text fidelity with stronger recognition-based or generative priors, yet they still face two unresolved challenges under severe degradation: the text condition extracted from low-quality inputs can itself be unreliable, and a plausible global prior does not fully determine fine-grained stroke boundaries. We present PRISM, a single-step diffusion-based Text-SR framework that addresses these two challenges through Flow-Matching Prior Rectification (FMPR) and a Structure-guided Uncertainty-aware Residual Encoder (SURE). FMPR constructs a privileged training-time prior from paired low-quality/high-quality latents and learns a flow matching that transports degraded embeddings toward this restoration-oriented prior space, yielding more accurate and reliable global text guidance. SURE further predicts uncertainty-aware structural residuals to selectively absorb reliable local boundary evidence while suppressing ambiguous stroke cues. Together, these components enable explicit global prior rectification and local structure refinement within a single diffusion restoration pass. Experiments on both synthetic and real-world benchmarks show that PRISM achieves state-of-the-art performance with millisecond-level inference. Our dataset and code will be available at https://github.com/faithxuz/PRISM.

In recent years, the use of multi-modal pre-trained Transformers has led to significant advancements in visually-rich document understanding. However, existing models have mainly focused on features such as text and vision while neglecting the importance of layout relationship between text nodes. In this paper, we propose GraphLayoutLM, a novel document understanding model that leverages the modeling of layout structure graph to inject document layout knowledge into the model. GraphLayoutLM utilizes a graph reordering algorithm to adjust the text sequence based on the graph structure. Additionally, our model uses a layout-aware multi-head self-attention layer to learn document layout knowledge. The proposed model enables the understanding of the spatial arrangement of text elements, improving document comprehension. We evaluate our model on various benchmarks, including FUNSD, XFUND and CORD, and achieve state-of-the-art results among these datasets. Our experimental results demonstrate that our proposed method provides a significant improvement over existing approaches and showcases the importance of incorporating layout information into document understanding models. We also conduct an ablation study to investigate the contribution of each component of our model. The results show that both the graph reordering algorithm and the layout-aware multi-head self-attention layer play a crucial role in achieving the best performance.

Large Language Models (LLMs) are converging towards a singular Artificial Hivemind, where shared Nature (pre-training priors) result in a profound collapse of distributional diversity, limiting the distinct perspectives necessary for creative exploration and scientific discovery. To address this, we propose to equip models with inference-time Nurture (individualized epistemic trajectories) using Epistemic Evolution paradigm, progressing through explore, internalize, and express. We instantiate this via PRISM (Pluralistic Reasoning via In-context Structure Modeling), a model-agnostic system that augments LLM with dynamic On-the-fly Epistemic Graphs. On three creativity benchmarks, PRISM achieves state-of-the-art novelty and significantly expands distributional diversity. Moreover, we evaluate the real-world utility via a challenging rare-disease diagnosis benchmark. Results demonstrate that PRISM successfully uncovers correct long-tail diagnoses that standard LLM miss, confirming that its divergence stems from meaningful exploration rather than incoherent noise. Overall, this work establishes a new paradigm for Pluralistic AI, moving beyond monolithic consensus toward a diverse ecosystem of unique cognitive individuals capable of collective, multi-perspective discovery.

Structure-Based Drug Design (SBDD) is crucial for identifying bioactive molecules. Recent deep generative models are faced with challenges in geometric structure modeling. A major bottleneck lies in the twisted probability path of multi-modalities -- continuous 3D positions and discrete 2D topologies -- which jointly determine molecular geometries. By establishing the fact that noise schedules decide the Variational Lower Bound (VLB) for the twisted probability path, we propose VLB-Optimal Scheduling (VOS) strategy in this under-explored area, which optimizes VLB as a path integral for SBDD. Our model effectively enhances molecular geometries and interaction modeling, achieving state-of-the-art PoseBusters passing rate of 95.9% on CrossDock, more than 10% improvement upon strong baselines, while maintaining high affinities and robust intramolecular validity evaluated on held-out test set. Code is available at https://github.com/AlgoMole/MolCRAFT.

Although text-to-motion generation has achieved strong progress in synthesizing realistic single-person motions from language, extending it to text-driven 3D human-human interaction (HHI) remains non-trivial, as HHI requires modeling the underlying social structure that governs phase progression, actor roles, and inter-actor coordination. In this paper, we formulate HHI generation as a social structure modeling and grounding problem: the model must first infer how an interaction unfolds and how the two actors coordinate their roles, and then realize this structure as continuous, physically plausible, and partner-aware 3D motion. To study how such structure should be modeled, we first examine the capability boundary of large language models (LLMs) for HHI generation. Our analysis shows that LLMs can think by recovering phase decompositions and partner-aware roles, but cannot directly move, as they fail to generate dynamic, physically plausible, and interaction-aware motion. This motivates our planner-executor paradigm, Think with LLM, Move with Motion Skill. The LLM planner converts implicit interaction semantics into motion-aligned social supervision by decomposing interactions into phases, assigning partner-aware actor roles, and aligning them with motion sequence. The motion executor then grounds the planned social structure into coordinated two-person motion by adapting a pretrained solo motion model with LoRA, previous-phase self-conditioning, and ego-relative partner conditioning. Together, our Solo-to-Social framework bridges social organization and motion realization, producing 3D HHI with improved phase consistency, role alignment, and partner-aware coordination.

Cross-domain few-shot medical image segmentation (CD-FSMIS) offers a promising and data-efficient solution for medical applications where annotations are severely scarce and multimodal analysis is required. However, existing methods typically filter out domain-specific information to improve generalization, which inadvertently limits cross-domain performance and degrades source-domain accuracy. To address this, we present Contrastive Graph Modeling (C-Graph), a framework that leverages the structural consistency of medical images as a reliable domain-transferable prior. We represent image features as graphs, with pixels as nodes and semantic affinities as edges. A Structural Prior Graph (SPG) layer is proposed to capture and transfer target-category node dependencies and enable global structure modeling through explicit node interactions. Building upon SPG layers, we introduce a Subgraph Matching Decoding (SMD) mechanism that exploits semantic relations among nodes to guide prediction. Furthermore, we design a Confusion-minimizing Node Contrast (CNC) loss to mitigate node ambiguity and subgraph heterogeneity by contrastively enhancing node discriminability in the graph space. Our method significantly outperforms prior CD-FSMIS approaches across multiple cross-domain benchmarks, achieving state-of-the-art performance while simultaneously preserving strong segmentation accuracy on the source domain.

Virtual screening of small molecules against protein targets can accelerate drug discovery and development by predicting drug-target interactions (DTIs). However, structure-based methods like molecular docking are too slow to allow for broad proteome-scale screens, limiting their application in screening for off-target effects or new molecular mechanisms. Recently, vector-based methods using protein language models (PLMs) have emerged as a complementary approach that bypasses explicit 3D structure modeling. Here, we develop SPRINT, a vector-based approach for screening entire chemical libraries against whole proteomes for DTIs and novel mechanisms of action. SPRINT improves on prior work by using a self-attention based architecture and structure-aware PLMs to learn drug-target co-embeddings for binder prediction, search, and retrieval. SPRINT achieves SOTA enrichment factors in virtual screening on LIT-PCBA, DTI classification benchmarks, and binding affinity prediction benchmarks, while providing interpretability in the form of residue-level attention maps. In addition to being both accurate and interpretable, SPRINT is ultra-fast: querying the whole human proteome against the ENAMINE Real Database (6.7B drugs) for the 100 most likely binders per protein takes 16 minutes. SPRINT promises to enable virtual screening at an unprecedented scale, opening up new opportunities for in silico drug repurposing and development. SPRINT is available on the web as ColabScreen: https://bit.ly/colab-screen

The rapid evolution of generative models has unlocked new potentials in protein binder design, a pivotal task in structural biology, by facilitating end-to-end generation via joint sequence-structure modeling or hallucination. However, existing approaches are predominantly implemented under a single-target, single-state assumption, limiting their ability to model multi-target or multi-state interactions required for advanced function-oriented protein design. Here, we introduce Chamaileon, which unifies multi-target and multi-state binder design by formulating the problem as cross-context binding landscape modeling. The framework is underpinned by a training paradigm termed In-Context Complex Co-Design (I3CD) for context-aware sequence-structure co-modeling. During inference, we employ Mixture-of-Paths Sampling (MoPS), a scalable strategy that optimizes a single sequence across contexts while alleviating the scarcity of high-quality multi-conformational paired data. Extensive evaluation on our newly constructed benchmark, CROSS, demonstrates that Chamaileon effectively generates sequences adaptable to diverse conformational landscapes and multi-target requirements. The code is available on https://github.com/caohengyuan/Chamaileon.

Video outpainting generates plausible visual content beyond the original spatial extent of a video, playing a key role in adapting videos to diverse display formats. To support such use cases, it must enable large spatial extrapolation over long sequences. However, most existing methods address only one of these challenges or lack explicit mechanisms for ensuring global spatio-temporal consistency, leading to notable limitations. In this paper, we propose HL-OutPaint, a high-resolution video outpainting framework for long sequences. Our approach follows a coarse-to-fine strategy with a two-stage pipeline. We first construct Global Coarse Guidance (GCG), a low-resolution representation that captures global structure and dominant motion across the video. Unlike naive downsampling, GCG is built via a novel global-local frame swapping mechanism that couples sparse global keyframes with local temporal windows and exchanges information during sampling. This enables GCG to encode both long-term structural consistency and short-term temporal dynamics in a unified representation. Guided by this representation, HL-OutPaint then performs high-resolution outpainting to generate spatially detailed and temporally consistent content. By separating global structure modeling from fine-grained synthesis, our framework achieves stable, coherent generation for large spatial expansion and long video sequences. Extensive experiments show that HL-OutPaint outperforms existing methods in challenging scenarios involving wide spatial extrapolation and long video sequences.

Rheumatoid arthritis (RA) assessment from hand radiographs requires multi-level analysis and modeling of anatomical structures and fine-grained local pathological changes. However, existing public resources do not support such unified multi-level analysis, often lacking full-hand coverage, fine-grained annotations, and consistent integration with clinical scoring systems. In particular, annotations that enable quantitative analysis of bone erosion (BE) remain scarce. RAM-H1200 contains 1,200 hand radiographs collected from six medical centers, with multi-level annotations including (i) whole-hand bone structure instance segmentation, (ii) pixel-level BE masks, (iii) SvdH-defined joint regions of interest, and (iv) joint-level SvdH scores for both BE and joint space narrowing (JSN). It is designed to evaluate whether models can jointly capture anatomical structure, localized erosive pathology, and clinically standardized RA severity from hand radiographs. The proposed BE masks enable, for the first time, quantitative BE analysis beyond coarse categorical grading by providing explicit spatial supervision for lesion extent and morphology. To our knowledge, RAM-H1200 is the first public large-scale benchmark that jointly supports whole-hand bone structure instance segmentation, pixel-level BE delineation, and clinically grounded joint-level SvdH scoring for both BE and JSN. Results across benchmark tasks show that anatomical modeling is substantially more mature than quantitative BE analysis: whole-hand bone segmentation achieves strong performance, whereas BE segmentation remains a major open challenge. By unifying anatomical structure modeling, quantitative lesion analysis, and clinically grounded SvdH scoring, RAM-H1200 provides a single benchmark for comprehensive RA analysis on hand radiographs.

In disentangled representation learning, the goal is to achieve a compact representation that consists of all interpretable generative factors in the observational data. Learning disentangled representations for graphs becomes increasingly important as graph data rapidly grows. Existing approaches often rely on Variational Auto-Encoder (VAE) or its causal structure learning-based refinement, which suffer from sub-optimality in VAEs due to the independence factor assumption and unavailability of concept labels, respectively. In this paper, we propose an unsupervised solution, dubbed concept-free causal disentanglement, built on a theoretically provable tight upper bound approximating the optimal factor. This results in an SCM-like causal structure modeling that directly learns concept structures from data. Based on this idea, we propose Concept-free Causal VGAE (CCVGAE) by incorporating a novel causal disentanglement layer into Variational Graph Auto-Encoder. Furthermore, we prove concept consistency under our concept-free causal disentanglement framework, hence employing it to enhance the meta-learning framework, called concept-free causal Meta-Graph (CC-Meta-Graph). We conduct extensive experiments to demonstrate the superiority of the proposed models: CCVGAE and CC-Meta-Graph, reaching up to 29% and 11% absolute improvements over baselines in terms of AUC, respectively.

Accurately modeling protein 3D structure is essential for the design of functional proteins. An important sub-task of structure modeling is protein side-chain packing: predicting the conformation of side-chains (rotamers) given the protein's backbone structure and amino-acid sequence. Conventional approaches for this task rely on expensive sampling procedures over hand-crafted energy functions and rotamer libraries. Recently, several deep learning methods have been developed to tackle the problem in a data-driven way, albeit with vastly different formulations (from image-to-image translation to directly predicting atomic coordinates). Here, we frame the problem as a joint regression over the side-chains' true degrees of freedom: the dihedral chi angles. We carefully study possible objective functions for this task, while accounting for the underlying symmetries of the task. We propose Holographic Packer (H-Packer), a novel two-stage algorithm for side-chain packing built on top of two light-weight rotationally equivariant neural networks. We evaluate our method on CASP13 and CASP14 targets. H-Packer is computationally efficient and shows favorable performance against conventional physics-based algorithms and is competitive against alternative deep learning solutions.

Large language models (LLMs) exhibit logically inconsistent hallucinations that appear coherent yet violate reasoning principles, with recent research suggesting an inverse relationship between causal reasoning capabilities and such hallucinations. However, existing reasoning approaches in LLMs, such as Chain-of-Thought (CoT) and its graph-based variants, operate at the linguistic token level rather than modeling the underlying causal relationships between variables, lacking the ability to represent conditional independencies or satisfy causal identification assumptions. To bridge this gap, we introduce causal-DAG construction and reasoning (CDCR-SFT), a supervised fine-tuning framework that trains LLMs to explicitly construct variable-level directed acyclic graph (DAG) and then perform reasoning over it. Moreover, we present a dataset comprising 25,368 samples (CausalDR), where each sample includes an input question, explicit causal DAG, graph-based reasoning trace, and validated answer. Experiments on four LLMs across eight tasks show that CDCR-SFT improves the causal reasoning capability with the state-of-the-art 95.33% accuracy on CLADDER (surpassing human performance of 94.8% for the first time) and reduces the hallucination on HaluEval with 10% improvements. It demonstrates that explicit causal structure modeling in LLMs can effectively mitigate logical inconsistencies in LLM outputs. Code is available at https://github.com/MrLYG/CDCR-SFT.

High-resolution video generation faces a coupled bottleneck of optimization instability and prohibitive computational costs. The massive expansion of the token sequence not only biases optimization toward local textures at the expense of global coherence, leading to structural collapse, but also imposes prohibitive training costs and severe inference latency. To address this, we propose PixelWizard, a framework that hierarchically decouples global structure modeling from fine-grained detail synthesis. PixelWizard first establishes a compact spatiotemporal anchor to concentrate dense structural priors, which then guides fine-grained generation at high resolution. This mitigates the local optimization bias to ensure structural stability without compromising high-frequency details. Leveraging this structural stability, we introduce Noise-Span Aligned Shortcut Training to break the inference bottleneck. By explicitly modeling the step size, this mechanism allows the model to traverse the generation trajectory with large steps. Crucially, we incorporate Exponential Index-Biased Sampling and Adaptive Noise-Span Calibration to align optimization with the shifted noise schedules of high-resolution grids, ensuring robust few-step inference without incurring the heavy overhead of distillation. Extensive experiments demonstrate that PixelWizard achieves superior visual quality while accelerating the generative sampling of native 2K/4K videos by over 10x.

Recent advances in video generation have enabled the synthesis of high-quality and visually realistic clips using diffusion transformer models. However, most existing approaches operate purely in the 2D pixel space and lack explicit mechanisms for modeling 3D structures, often resulting in temporally inconsistent geometries, implausible motions, and structural artifacts. In this work, we introduce geometric regularization losses into video generation by augmenting latent diffusion models with per-frame depth prediction. We adopted depth as the geometric representation because of the great progress in depth prediction and its compatibility with image-based latent encoders. Specifically, to enforce structural consistency over time, we propose a multi-view geometric loss that aligns the predicted depth maps across frames within a shared 3D coordinate system. Our method bridges the gap between appearance generation and 3D structure modeling, leading to improved spatio-temporal coherence, shape consistency, and physical plausibility. Experiments across multiple datasets show that our approach produces significantly more stable and geometrically consistent results than existing baselines.

Multi-modal recommender system focuses on utilizing rich modal information ( i.e., images and textual descriptions) of items to improve recommendation performance. The current methods have achieved remarkable success with the powerful structure modeling capability of graph neural networks. However, these methods are often hindered by sparse data in real-world scenarios. Although contrastive learning and homography ( i.e., homogeneous graphs) are employed to address the data sparsity challenge, existing methods still suffer two main limitations: 1) Simple multi-modal feature contrasts fail to produce effective representations, causing noisy modal-shared features and loss of valuable information in modal-unique features; 2) The lack of exploration of the homograph relations between user interests and item co-occurrence results in incomplete mining of user-item interplay. To address the above limitations, we propose a novel framework for REfining multi-modAl contRastive learning and hoMography relations (REARM). Specifically, we complement multi-modal contrastive learning by employing meta-network and orthogonal constraint strategies, which filter out noise in modal-shared features and retain recommendation-relevant information in modal-unique features. To mine homogeneous relationships effectively, we integrate a newly constructed user interest graph and an item co-occurrence graph with the existing user co-occurrence and item semantic graphs for graph learning. The extensive experiments on three real-world datasets demonstrate the superiority of REARM to various state-of-the-art baselines. Our visualization further shows an improvement made by REARM in distinguishing between modal-shared and modal-unique features. Code is available https://github.com/MrShouxingMa/REARM{here}.

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

Consistency and reliability are crucial for conducting AI research. Many famous research fields, such as object detection, have been compared and validated with solid benchmark frameworks. After AlphaFold2, the protein folding task has entered a new phase, and many methods are proposed based on the component of AlphaFold2. The importance of a unified research framework in protein folding contains implementations and benchmarks to consistently and fairly compare various approaches. To achieve this, we present Solvent, an protein folding framework that supports significant components of state-of-th-arts models in the manner of off-the-shelf interface Solvent contains different models implemented in a unified codebase and supports training and evaluation for defined models on the same dataset. We benchmark well-known algorithms and their components and provide experiments that give helpful insights into the protein structure modeling field. We hope that Solvent will increase the reliability and consistency of proposed models and gives efficiency in both speed and costs, resulting in acceleration on protein folding modeling research. The code is available at https://github.com/kakaobrain/solvent, and the project will continue to be developed.

Bessel functions are critical in scientific computing for applications such as machine learning, protein structure modeling, and robotics. However, currently, available routines lack precision or fail for certain input ranges, such as when the order v is large, and GPU-specific implementations are limited. We address the precision limitations of current numerical implementations while dramatically improving the runtime. We propose two novel algorithms for computing the logarithm of modified Bessel functions of the first and second kinds by computing intermediate values on a logarithmic scale. Our algorithms are robust and never have issues with underflows or overflows while having relative errors on the order of machine precision, even for inputs where existing libraries fail. In C++/CUDA, our algorithms have median and maximum speedups of 45x and 6150x for GPU and 17x and 3403x for CPU, respectively, over the ranges of inputs and third-party libraries tested. Compared to SciPy, the algorithms have median and maximum speedups of 77x and 300x for GPU and 35x and 98x for CPU, respectively, over the tested inputs. The ability to robustly compute a solution and the low relative errors allow us to fit von Mises-Fisher, vMF, distributions to high-dimensional neural network features. This is, e.g., relevant for uncertainty quantification in metric learning. We obtain image feature data by processing CIFAR10 training images with the convolutional layers of a pre-trained ResNet50. We successfully fit vMF distributions to 2048-, 8192-, and 32768-dimensional image feature data using our algorithms. Our approach provides fast and accurate results while existing implementations in SciPy and mpmath fail to fit successfully. Our approach is readily implementable on GPUs, and we provide a fast open-source implementation alongside this paper.

Stylizing 3D scenes instantly while maintaining multi-view consistency and faithfully resembling a style image remains a significant challenge. Current state-of-the-art 3D stylization methods typically involve computationally intensive test-time optimization to transfer artistic features into a pretrained 3D representation, often requiring dense posed input images. In contrast, leveraging recent advances in feed-forward reconstruction models, we demonstrate a novel approach to achieve direct 3D stylization in less than a second using unposed sparse-view scene images and an arbitrary style image. To address the inherent decoupling between reconstruction and stylization, we introduce a branched architecture that separates structure modeling and appearance shading, effectively preventing stylistic transfer from distorting the underlying 3D scene structure. Furthermore, we adapt an identity loss to facilitate pre-training our stylization model through the novel view synthesis task. This strategy also allows our model to retain its original reconstruction capabilities while being fine-tuned for stylization. Comprehensive evaluations, using both in-domain and out-of-domain datasets, demonstrate that our approach produces high-quality stylized 3D content that achieve a superior blend of style and scene appearance, while also outperforming existing methods in terms of multi-view consistency and efficiency.

In orchard automation, dense foliage during the canopy season severely occludes tree structures, minimizing visibility to various canopy parts such as trunks and branches, which limits the ability of a machine vision system. However, canopy structure is more open and visible during the dormant season when trees are defoliated. In this work, we present an information fusion framework that integrates multi-seasonal structural data to support robotic and automated crop load management during the entire growing season. The framework combines high-resolution RGB-D imagery from both dormant and canopy periods using YOLOv9-Seg for instance segmentation, Kinect Fusion for 3D reconstruction, and Fast Generalized Iterative Closest Point (Fast GICP) for model alignment. Segmentation outputs from YOLOv9-Seg were used to extract depth-informed masks, which enabled accurate 3D point cloud reconstruction via Kinect Fusion; these reconstructed models from each season were subsequently aligned using Fast GICP to achieve spatially coherent multi-season fusion. The YOLOv9-Seg model, trained on manually annotated images, achieved a mean squared error (MSE) of 0.0047 and segmentation mAP@50 scores up to 0.78 for trunks in dormant season dataset. Kinect Fusion enabled accurate reconstruction of tree geometry, validated with field measurements resulting in root mean square errors (RMSE) of 5.23 mm for trunk diameter, 4.50 mm for branch diameter, and 13.72 mm for branch spacing. Fast GICP achieved precise cross-seasonal registration with a minimum fitness score of 0.00197, allowing integrated, comprehensive tree structure modeling despite heavy occlusions during the growing season. This fused structural representation enables robotic systems to access otherwise obscured architectural information, improving the precision of pruning, thinning, and other automated orchard operations.

Blind image quality assessment (BIQA) is commonly built on two basic learning paradigms: regression and ranking. Regression calibrates absolute scores, whereas ranking recovers quality structure from ordinal relations. Although joint regression-ranking supervision often improves BIQA, the relation between the two paradigms remains largely empirical and underexplored. In this work, we revisit what underlies regression and ranking and identify pairwise relational distance, termed quality margin, as their common bridge. Our derivation shows that, at the objective-optimization level, both paradigms fit quality margins: regression fits margins induced by score endpoints, while ranking fits transformed or sign-level margins through preference probabilities. Motivated by this insight, we propose MR-IQA, a direct quality-margin optimization framework for reinforcement learning (RL)-based BIQA. MR-IQA samples quality scores and optimizes pairwise margin errors as policy rewards, thereby modeling quality structure more explicitly. Experiments on six BIQA benchmarks show competitive general performance, and controlled comparisons demonstrate that MR-IQA achieves the strongest average PLCC/SRCC over regression- or ranking-based RL methods. Our findings provide a new insight into unifying regression and ranking, offering a theoretical basis for understanding quality-structure modeling in BIQA and beyond.

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These models extend traditional message-passing GNNs and Transformers by representing node and edge features as spherical tensors that transform under irreducible representations of the rotation group SO(3), ensuring that predictions change in physically meaningful ways under rotations of the input. This guide develops a complete, intuitive foundation for spherical equivariant modeling - from group representations and spherical harmonics, to tensor products, Clebsch-Gordan decomposition, and the construction of SO(3)-equivariant kernels. Building on this foundation, we construct the Tensor Field Network and SE(3)-Transformer architectures and explain how they perform equivariant message-passing and attention on geometric graphs. Through clear mathematical derivations and annotated code excerpts, this guide serves as a self-contained introduction for researchers and learners seeking to understand or implement spherical EGNNs for applications in chemistry, molecular property prediction, protein structure modeling, and generative modeling.

Transformer-based models have recently made significant advances in accurate time-series forecasting, but even these architectures struggle to scale efficiently while capturing long-term temporal dynamics. Mixture-of-Experts (MoE) layers are a proven solution to scaling problems in natural language processing. However, existing MoE approaches for time-series forecasting rely on token-wise routing mechanisms, which may fail to exploit the natural locality and continuity of temporal data. In this work, we introduce Seg-MoE, a sparse MoE design that routes and processes contiguous time-step segments rather than making independent expert decisions. Token segments allow each expert to model intra-segment interactions directly, naturally aligning with inherent temporal patterns. We integrate Seg-MoE layers into a time-series Transformer and evaluate it on multiple multivariate long-term forecasting benchmarks. Seg-MoE consistently achieves state-of-the-art forecasting accuracy across almost all prediction horizons, outperforming both dense Transformers and prior token-wise MoE models. Comprehensive ablation studies confirm that segment-level routing is the key factor driving these gains. Our results show that aligning the MoE routing granularity with the inherent structure of time series provides a powerful, yet previously underexplored, inductive bias, opening new avenues for conditionally sparse architectures in sequential data modeling.

We present PharmaShip, a real-world Chinese dataset of scanned pharmaceutical shipping documents designed to stress-test pre-trained text-layout models under noisy OCR and heterogeneous templates. PharmaShip covers three complementary tasks-sequence entity recognition (SER), relation extraction (RE), and reading order prediction (ROP)-and adopts an entity-centric evaluation protocol to minimize confounds across architectures. We benchmark five representative baselines spanning pixel-aware and geometry-aware families (LiLT, LayoutLMv3-base, GeoLayoutLM and their available RORE-enhanced variants), and standardize preprocessing, splits, and optimization. Experiments show that pixels and explicit geometry provide complementary inductive biases, yet neither alone is sufficient: injecting reading-order-oriented regularization consistently improves SER and EL and yields the most robust configuration, while longer positional coverage stabilizes late-page predictions and reduces truncation artifacts. ROP is accurate at the word level but challenging at the segment level, reflecting boundary ambiguity and long-range crossings. PharmaShip thus establishes a controlled, reproducible benchmark for safety-critical document understanding in the pharmaceutical domain and highlights sequence-aware constraints as a transferable bias for structure modeling. We release the dataset at https://github.com/KevinYuLei/PharmaShip.

Graphical user interface (GUI) has become integral to modern society, making it crucial to be understood for human-centric systems. However, unlike natural images or documents, GUIs comprise artificially designed graphical elements arranged to convey specific semantic meanings. Current multi-modal large language models (MLLMs) already proficient in processing graphical and textual components suffer from hurdles in GUI understanding due to the lack of explicit spatial structure modeling. Moreover, obtaining high-quality spatial structure data is challenging due to privacy issues and noisy environments. To address these challenges, we present MP-GUI, a specially designed MLLM for GUI understanding. MP-GUI features three precisely specialized perceivers to extract graphical, textual, and spatial modalities from the screen as GUI-tailored visual clues, with spatial structure refinement strategy and adaptively combined via a fusion gate to meet the specific preferences of different GUI understanding tasks. To cope with the scarcity of training data, we also introduce a pipeline for automatically data collecting. Extensive experiments demonstrate that MP-GUI achieves impressive results on various GUI understanding tasks with limited data.

The RNA structure-function relationship has recently garnered significant attention within the deep learning community, promising to grow in importance as nucleic acid structure models advance. However, the absence of standardized and accessible benchmarks for deep learning on RNA 3D structures has impeded the development of models for RNA functional characteristics. In this work, we introduce a set of seven benchmarking datasets for RNA structure-function prediction, designed to address this gap. Our library builds on the established Python library rnaglib, and offers easy data distribution and encoding, splitters and evaluation methods, providing a convenient all-in-one framework for comparing models. Datasets are implemented in a fully modular and reproducible manner, facilitating for community contributions and customization. Finally, we provide initial baseline results for all tasks using a graph neural network. Source code: https://github.com/cgoliver/rnaglib Documentation: https://rnaglib.org

Accurate, spatially explicit characterization of tropical forest structure is essential for carbon accounting and ecosystem monitoring, yet most ML pipelines predict canopy-top height proxies (e.g., RH95/RH98) or AGBD as separate scalar targets, rather than learning the forest vertical structure as an ordered profile. The community lacks a ML-ready multimodal benchmark for predicting the entire GEDI RH profile jointly with AGBD, or for evaluating methods that enforce physically consistent ordering across RH percentiles. We address this with Biomazon, a 20 m multimodal benchmark dataset over the Amazon Basin that pairs GEDI RH and AGBD targets with multi-sensor predictors (Sentinel-1/2, ALOS-2 PALSAR-2, Copernicus DEM, Dynamic World LULC, and AlphaEarth embeddings) under standardized spatial splits and evaluation protocols. Using a shared encoder-decoder with task-specific heads as a baseline framework, we conduct a comprehensive ablation study of (i) backbone/model scale, (ii) modality contributions, and (iii) the use of auxiliary embeddings under standalone and fusion settings, and we report both single-target and joint-target results to quantify tradeoffs under a unified training protocol. Finally, we contextualize baseline performance through regionally aligned comparisons against existing gridded products, including GEDI L4D RH10-RH98 and AGBD, at matching temporal scale. Biomazon, together with the accompanying protocols and baseline results, establishes a reference benchmark for future work on structurally consistent RH-profile prediction and structure-biomass modeling in tropical forests.

Generating musical audio directly with neural networks is notoriously difficult because it requires coherently modeling structure at many different timescales. Fortunately, most music is also highly structured and can be represented as discrete note events played on musical instruments. Herein, we show that by using notes as an intermediate representation, we can train a suite of models capable of transcribing, composing, and synthesizing audio waveforms with coherent musical structure on timescales spanning six orders of magnitude (~0.1 ms to ~100 s), a process we call Wave2Midi2Wave. This large advance in the state of the art is enabled by our release of the new MAESTRO (MIDI and Audio Edited for Synchronous TRacks and Organization) dataset, composed of over 172 hours of virtuosic piano performances captured with fine alignment (~3 ms) between note labels and audio waveforms. The networks and the dataset together present a promising approach toward creating new expressive and interpretable neural models of music.

This paper introduces layout-aware graph modeling for multimodal RAG. Different from traditional RAG methods that mostly deal with flat text chunks, the proposed method takes into account the relationship of multimodalities by using a graph structure. To do that, a graph modeling structure is defined based on document layout parsing. The structure of an input document is retained with the connection of text chunks, tables, and figures. This representation allows the method to handle complex questions that require information from multimodalities. To confirm the efficiency of the graph modeling, a flexible RAG pipeline is developed using robust components. Experimental results on four benchmark test sets confirm the contribution of the layout-aware modeling for performance improvement of the RAG pipeline.

Genome-wide association study (GWAS) tests single nucleotide polymorphism (SNP) markers across the genome to localize the underlying causal variant of a trait. Because causal variants are seldom observed directly, a surrogate model based on genotyped markers are widely considered. Although many methods estimating the parameters of the surrogate model have been proposed, the connection between the surrogate model and the true causal model is yet investigated. In this work, we establish the connection between the surrogate model and the true causal model. The connection shows that population structure is accounted in GWAS by modelling the variant of interest and not the trait. Such observation explains how environmental confounding can be partially corrected using genetic covariates and why the previously claimed connection between PC correction and linear mixed models is incorrect.

Geometric Attention (GA) specifies an attention layer by four independent inputs: a finite carrier (what indices are addressable), an evidence-kernel rule (how masked proto-scores and a link induce nonnegative weights), a probe family (which observables are treated as admissible), and an anchor/update rule (which representative kernel is selected and how it is applied). Probe families induce an operational equivalence relation on kernels and therefore a gauge; anchors select representatives relative to that probe. Under a scalar relational-work representation and a multiplicative compositionality law for evidence, the admissible link family is exponential, yielding Gibbs weights; with row anchoring this includes the softmax kernel family as a subregime. After quotienting unary row/column score fields, the remaining interaction component admits a canonical rank-r normal form (Eckart-Young/SVD); dot-product score charts implement the corresponding low-rank interaction regime. Fixing the carrier and extensionalizing the update yields the standard fixed-token Transformer attention operator; allowing carrier updates yields adaptive-carrier and staged-depth regimes. The operator language also supports multihead/mixed kernels, plan-based anchors (e.g., entropic OT/Sinkhorn), and unary operators (e.g., FFN-style fields) as explicit regime choices. This separates invariant structure from modeling choice, enabling principled comparison and extension of attention mechanisms, and attention-based architectures.

Multi-relational graphs (MRGs) are an expressive data structure for modeling diverse interactions/relations among real objects (i.e., nodes), which pervade extensive applications and scenarios. Given an MRG G with N nodes, partitioning the node set therein into K disjoint clusters (MRGC) is a fundamental task in analyzing MRGs, which has garnered considerable attention. However, the majority of existing solutions towards MRGC either yield severely compromised result quality by ineffective fusion of heterogeneous graph structures and attributes, or struggle to cope with sizable MRGs with millions of nodes and billions of edges due to the adoption of sophisticated and costly deep learning models. In this paper, we present DEMM and DEMM+, two effective MRGC approaches to address the limitations above. Specifically, our algorithms are built on novel two-stage optimization objectives, where the former seeks to derive high-caliber node feature vectors by optimizing the multi-relational Dirichlet energy specialized for MRGs, while the latter minimizes the Dirichlet energy of clustering results over the node affinity graph. In particular, DEMM+ achieves significantly higher scalability and efficiency over our based method DEMM through a suite of well-thought-out optimizations. Key technical contributions include (i) a highly efficient approximation solver for constructing node feature vectors, and (ii) a theoretically-grounded problem transformation with carefully-crafted techniques that enable linear-time clustering without explicitly materializing the NxN dense affinity matrix. Further, we extend DEMM+ to handle attribute-less MRGs through non-trivial adaptations. Extensive experiments, comparing DEMM+ against 20 baselines over 11 real MRGs, exhibit that DEMM+ is consistently superior in terms of clustering quality measured against ground-truth labels, while often being remarkably faster.

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a transformative tool in materials science by effectively modeling structure-property relationships. Despite substantial efforts to enhance model expressiveness, data efficiency remains an equally critical challenge, given the limited availability of experimental and computational resources. Active learning (AL), as a data-driven machine learning paradigm, has shown great promise for discovering novel materials and enabling the efficient navigation of vast materials spaces. In this review, we follow the evolution of sampling strategy design techniques in AL, from Bayesian optimization to advanced deep learning-based strategies. We then highlight how AL enhances data efficiency across various data regimes, ranging from task-specific settings with limited data to the development of general-purpose datasets and large-scale models. We further provide a systematic overview of AL applications throughout the materials research pipeline, including computational simulation, composition and structural design, process optimization, and self-driving laboratory systems. Finally, we pinpoint key challenges and future perspectives of AL in materials discovery.

Generative models have shown remarkable performance in speech enhancement (SE), achieving superior perceptual quality over traditional discriminative approaches. However, existing generative SE approaches often overlook the risk of hallucination under severe noise, leading to incorrect spoken content or inconsistent speaker characteristics, which we term linguistic and acoustic hallucinations, respectively. We argue that linguistic hallucination stems from models' failure to constrain valid phonological structures and it is a more fundamental challenge. While language models (LMs) are well-suited for capturing the underlying speech structure through modeling the distribution of discrete tokens, existing approaches are limited in learning from noise-corrupted representations, which can lead to contaminated priors and hallucinations. To overcome these limitations, we propose the Phonologically Anchored Speech Enhancer (PASE), a generative SE framework that leverages the robust phonological prior embedded in the pre-trained WavLM model to mitigate hallucinations. First, we adapt WavLM into a denoising expert via representation distillation to clean its final-layer features. Guided by the model's intrinsic phonological prior, this process enables robust denoising while minimizing linguistic hallucinations. To further reduce acoustic hallucinations, we train the vocoder with a dual-stream representation: the high-level phonetic representation provides clean linguistic content, while a low-level acoustic representation retains speaker identity and prosody. Experimental results demonstrate that PASE not only surpasses state-of-the-art discriminative models in perceptual quality, but also significantly outperforms prior generative models with substantially lower linguistic and acoustic hallucinations.

3D characters are essential to modern creative industries, but making them animatable often demands extensive manual work in tasks like rigging and skinning. Existing automatic rigging tools face several limitations, including the necessity for manual annotations, rigid skeleton topologies, and limited generalization across diverse shapes and poses. An alternative approach is to generate animatable avatars pre-bound to a rigged template mesh. However, this method often lacks flexibility and is typically limited to realistic human shapes. To address these issues, we present Make-It-Animatable, a novel data-driven method to make any 3D humanoid model ready for character animation in less than one second, regardless of its shapes and poses. Our unified framework generates high-quality blend weights, bones, and pose transformations. By incorporating a particle-based shape autoencoder, our approach supports various 3D representations, including meshes and 3D Gaussian splats. Additionally, we employ a coarse-to-fine representation and a structure-aware modeling strategy to ensure both accuracy and robustness, even for characters with non-standard skeleton structures. We conducted extensive experiments to validate our framework's effectiveness. Compared to existing methods, our approach demonstrates significant improvements in both quality and speed.

Video world models are moving toward preserving an observed world under controllable camera and object motion while allowing its environmental state to change. Yet these controls remain isolated, and weather generation typically relies on a source video or reconstructed scene that already specifies future structure. We study a first-frame-anchored source-to-state setting, where the model starts from a single image and follows explicit camera and object controls and an optional weather instruction, then generates a video that either preserves the source world or transfers it to a target weather state. To address these challenges, we first build HoloStateData, a state video dataset that turns diverse videos into unified control samples for camera, object, and weather supervision. Second, we introduce Holo-World, a unified controllable video world model that jointly controls scene from a single image. Its Unified Scene Adapter factorizes world preservation and weather transfer into distinct parameter subspaces, using rendered background, geometry buffers, and object controls to maintain controlled scene structure while modeling weather-dependent appearance and particle effects. Additionally, Scene-Weather Decomposed CFG guides scene and weather residuals separately, strengthening target weather effects without over-amplifying the full condition. Quantitative and qualitative experiments demonstrate that Holo-World maintains precise camera and object control with consistent scene structure while transferring scenes into diverse target weather state, outperforming video-to-video weather editing baselines on weather-state generation. Our project page is available at https://xiangchenyin.github.io/Holo-World/.

Foundation models applied to bio-molecular space hold promise to accelerate drug discovery. Molecular representation is key to building such models. Previous works have typically focused on a single representation or view of the molecules. Here, we develop a multi-view foundation model approach, that integrates molecular views of graph, image and text. Single-view foundation models are each pre-trained on a dataset of up to 200M molecules and then aggregated into combined representations. Our multi-view model is validated on a diverse set of 18 tasks, encompassing ligand-protein binding, molecular solubility, metabolism and toxicity. We show that the multi-view models perform robustly and are able to balance the strengths and weaknesses of specific views. We then apply this model to screen compounds against a large (>100 targets) set of G Protein-Coupled receptors (GPCRs). From this library of targets, we identify 33 that are related to Alzheimer's disease. On this subset, we employ our model to identify strong binders, which are validated through structure-based modeling and identification of key binding motifs.

Recent studies on AMR-to-text generation often formalize the task as a sequence-to-sequence (seq2seq) learning problem by converting an Abstract Meaning Representation (AMR) graph into a word sequence. Graph structures are further modeled into the seq2seq framework in order to utilize the structural information in the AMR graphs. However, previous approaches only consider the relations between directly connected concepts while ignoring the rich structure in AMR graphs. In this paper we eliminate such a strong limitation and propose a novel structure-aware self-attention approach to better modeling the relations between indirectly connected concepts in the state-of-the-art seq2seq model, i.e., the Transformer. In particular, a few different methods are explored to learn structural representations between two concepts. Experimental results on English AMR benchmark datasets show that our approach significantly outperforms the state of the art with 29.66 and 31.82 BLEU scores on LDC2015E86 and LDC2017T10, respectively. To the best of our knowledge, these are the best results achieved so far by supervised models on the benchmarks.

Benchmarking the hundreds of functional connectivity (FC) modeling methods on large-scale fMRI datasets is critical for reproducible neuroscience. However, the combinatorial explosion of model-data pairings makes exhaustive evaluation computationally prohibitive, preventing such assessments from becoming a routine pre-analysis step. To break this bottleneck, we reframe the challenge of FC benchmarking by selecting a small, representative core-set whose sole purpose is to preserve the relative performance ranking of FC operators. We formalize this as a ranking-preserving subset selection problem and propose Structure-aware Contrastive Learning for Core-set Selection (SCLCS), a self-supervised framework to select these core-sets. SCLCS first uses an adaptive Transformer to learn each sample's unique FC structure. It then introduces a novel Structural Perturbation Score (SPS) to quantify the stability of these learned structures during training, identifying samples that represent foundational connectivity archetypes. Finally, while SCLCS identifies stable samples via a top-k ranking, we further introduce a density-balanced sampling strategy as a necessary correction to promote diversity, ensuring the final core-set is both structurally robust and distributionally representative. On the large-scale REST-meta-MDD dataset, SCLCS preserves the ground-truth model ranking with just 10% of the data, outperforming state-of-the-art (SOTA) core-set selection methods by up to 23.2% in ranking consistency (nDCG@k). To our knowledge, this is the first work to formalize core-set selection for FC operator benchmarking, thereby making large-scale operators comparisons a feasible and integral part of computational neuroscience. Code is publicly available on https://github.com/lzhan94swu/SCLCS

Articulated objects are common in the real world, yet modeling their structure and motion remains a challenging task for 3D reconstruction methods. In this work, we introduce Part^{2}GS, a novel framework for modeling articulated digital twins of multi-part objects with high-fidelity geometry and physically consistent articulation. Part^{2}GS leverages a part-aware 3D Gaussian representation that encodes articulated components with learnable attributes, enabling structured, disentangled transformations that preserve high-fidelity geometry. To ensure physically consistent motion, we propose a motion-aware canonical representation guided by physics-based constraints, including contact enforcement, velocity consistency, and vector-field alignment. Furthermore, we introduce a field of repel points to prevent part collisions and maintain stable articulation paths, significantly improving motion coherence over baselines. Extensive evaluations on both synthetic and real-world datasets show that Part^{2}GS consistently outperforms state-of-the-art methods by up to 10times in Chamfer Distance for movable parts.

Traditional topic modeling assigns a single topic to each document. In practice, however, many real-world documents, such as product reviews or open-ended survey responses, contain multiple distinct topics. This mismatch often leads to topic contamination, where unrelated themes are merged into a single topic, making it difficult to identify documents that truly focus on a specific subject. We address this issue by introducing segment-based topic allocation (SBTA), a reformulation of topic modeling that assigns topics not to entire documents, but to segments: short, coherent spans of text that each express a single theme. By modeling topical structure at the segment level, our approach yields cleaner and more interpretable topics and better supports analysis of multi-theme documents. To support systematic evaluation, we construct a SemEval-STM, a new dataset inspired by aspect-based sentiment analysis. Documents are first decomposed into topical segments using large language models (LLMs), followed by human refinement to ensure segment quality. We also propose a segment-level extension of the word intrusion task, enabling human evaluation of topical coherence at the granularity where topics are actually assigned. Across multiple models and evaluation metrics, we show that SBTA improves clustering quality and interpretability. Overall, this work provides a practical, scalable framework for fine-grained topic analysis in heterogeneous text corpora where documents naturally span multiple topics. URL: https://huggingface.co/datasets/LG-AI-Research/SemEval-STM

Spatiotemporal predictive learning (STPL) aims to forecast future frames from past observations and is essential across a wide range of applications. Compared with recurrent or hybrid architectures, pure convolutional models offer superior efficiency and full parallelism, yet their fixed receptive fields limit their ability to adaptively capture spatially varying motion patterns. Inspired by biological center-surround organization and frequency-selective signal processing, we propose PFGNet, a fully convolutional framework that dynamically modulates receptive fields through pixel-wise frequency-guided gating. The core Peripheral Frequency Gating (PFG) block extracts localized spectral cues and adaptively fuses multi-scale large-kernel peripheral responses with learnable center suppression, effectively forming spatially adaptive band-pass filters. To maintain efficiency, all large kernels are decomposed into separable 1D convolutions (1 times k followed by k times 1), reducing per-channel computational cost from O(k^2) to O(2k). PFGNet enables structure-aware spatiotemporal modeling without recurrence or attention. Experiments on Moving MNIST, TaxiBJ, Human3.6M, and KTH show that PFGNet delivers SOTA or near-SOTA forecasting performance with substantially fewer parameters and FLOPs. Our code is available at https://github.com/fhjdqaq/PFGNet.

Reinforcement learning is a framework for learning to act sequentially in an unknown environment. We propose a natural approach for modeling policy structure in policy gradients. The key idea is to optimize for a subset of future rewards: smaller subsets represent simpler policies, which can be learned more reliably because their empirical gradient estimates are more accurate. Our approach allows for modeling and comparison of different policy classes, including full planning, greedy, K-step lookahead, and segment policies. We evaluate the policies empirically on multiple persona-alignment conversational problems. Different policies excel in different problems, reflecting their different characteristics and highlighting the importance of our studied policy class.

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution.

Court judgments are central to legal practice and jurisprudence, yet discourse analysis of Hong Kong judgments has received limited attention, owing largely to the absence of expert-annotated corpora. We introduce the Hong Kong Judgment Discourse Dataset (HKJudge), the first sentence-level expert-annotated legal discourse corpus. HKJudge includes criminal judgments across all five levels of HK's court hierarchy, comprising sim290k sentences and sim6.5 million tokens, fully annotated by legal linguistics experts. We design a two-tier discourse schema that captures what facts a court finds, how it reasons, and what it rules. At the sentence level, each sentence is assigned one of 26 rhetorical roles. At the span level, sentences are further annotated with three sentencing elements (charge, imprisonment term, fine). Ten legal linguistics annotators produced the annotations with an inter-annotator agreement of κ= 0.8. We formulate two tasks on HKJudge, termed rhetorical role classification and legal element extraction, and provide the first benchmark evaluation of four BERT-based models, two open-source LLMs under zero-shot and fine-tuning settings, and four commercial LLMs on both tasks. Our work demonstrates the value of sentence-level discourse annotation for modeling the structure of HK judgments and provides a rich data foundation for future work on legal judgment prediction. The HKJudge dataset and code are available at https://github.com/xuanxixi/HKJudge.

We introduce a unified theoretical framework for the rigorous analysis and systematic construction of deep neural networks (DNNs). This framework addresses a gap in existing theory by explicitly modeling the structure of tensor operations -- lower level information that is often abstracted. Our framework enables two novel objectives: (1) analysis of the evolution of architectural complexity over deep learning history, and (2) automatic construction of novel architectures based on new types of tensor operations. Our study of DNNs introduced over the past 40 years reveals a connection between groundbreaking architectures and increases in different types of architectural complexity. Moreover, we identify several large classes of higher complexity architectures that have not yet been explored. We then collect a dataset of 3,000+ higher complexity architectures, which we publicly release at: https://github.com/combinatoriallabs/ArchitecturalComplexity.

In many real-world applications, modeling both the internal structure of sets and their temporal relationships is essential for capturing complex underlying patterns. Sequential multiple-instance learning aims to address this challenge by learning permutation-invariant representations of sets distributed across discrete timesteps. However, existing methods either focus on learning set representations at a static level, ignoring temporal dynamics, or treat sequences as ordered lists of individual elements, lacking explicit mechanisms for representing sets. Crucially, effective modeling of such sequences of sets often requires encoding both the positional ordering across timesteps and their absolute temporal values to jointly capture relative progression and temporal context. In this work, we propose Set2Seq Transformer, a novel architecture that jointly models permutation-invariant set structure and temporal dependencies by learning temporal and position-aware representations of sets within a sequence in an end-to-end multimodal manner. We evaluate our Set2Seq Transformer on two tasks that require modeling set structure alongside temporal and positional patterns, but differ significantly in domain, modality, and objective. First, we consider a fine art analysis task, modeling artists' oeuvres for predicting artistic success using a novel dataset, WikiArt-Seq2Rank. Second, we utilize our Set2Seq Transformer for short-term wildfire danger forecasting. Through extensive experimentation, we show that our Set2Seq Transformer consistently improves over traditional static multiple-instance learning methods by effectively learning permutation-invariant set, temporal, and position-aware representations across diverse domains, modalities, and tasks. We release all code and datasets at https://github.com/thefth/set2seq-transformer.

Deep learning research for binary analysis faces a critical infrastructure gap. Today, existing datasets target single platforms, require specialized tooling, or provide only hand-engineered features incompatible with modern neural architectures; no single dataset supports accessible research and pedagogy on realistic use cases. To solve this, we introduce Binary-30K, the first heterogeneous binary dataset designed for sequence-based models like transformers. Critically, Binary-30K covers Windows, Linux, macOS, and Android across 15+ CPU architectures. With 29,793 binaries and approximately 26.93% malware representation, Binary-30K enables research on platform-invariant detection, cross-target transfer learning, and long-context binary understanding. The dataset provides pre-computed byte-level BPE tokenization alongside comprehensive structural metadata, supporting both sequence modeling and structure-aware approaches. Platform-first stratified sampling ensures representative coverage across operating systems and architectures, while distribution via Hugging Face with official train/validation/test splits enables reproducible benchmarking. The dataset is publicly available at https://huggingface.co/datasets/mjbommar/binary-30k, providing an accessible resource for researchers, practitioners, and students alike.

Transformer-based models trained on large and general purpose datasets consisting of molecular strings have recently emerged as a powerful tool for successfully modeling various structure-property relations. Inspired by this success, we extend the paradigm of training chemical language transformers on large-scale chemical datasets to generative tasks in this work. Specifically, we propose GP-MoLFormer, an autoregressive molecular string generator that is trained on more than 1.1B (billion) chemical SMILES. GP-MoLFormer uses a 46.8M parameter transformer decoder model with linear attention and rotary positional encodings as the base architecture. GP-MoLFormer's utility is evaluated and compared with that of existing baselines on three different tasks: de novo generation, scaffold-constrained molecular decoration, and unconstrained property-guided optimization. While the first two are handled with no additional training, we propose a parameter-efficient fine-tuning method for the last task, which uses property-ordered molecular pairs as input. We call this new approach pair-tuning. Our results show GP-MoLFormer performs better or comparable with baselines across all three tasks, demonstrating its general utility for a variety of molecular generation tasks. We further report strong memorization of training data in GP-MoLFormer generations, which has so far remained unexplored for chemical language models. Our analyses reveal that training data memorization and novelty in generations are impacted by the quality and scale of the training data; duplication bias in training data can enhance memorization at the cost of lowering novelty. We further establish a scaling law relating inference compute and novelty in generations.

Graph Convolutional Networks (GCNs) have shown strong performance in learning text representations for various tasks such as text classification, due to its expressive power in modeling graph structure data (e.g., a literature citation network). Most existing GCNs are limited to deal with documents included in a pre-defined graph, i.e., it cannot be generalized to out-of-graph documents. To address this issue, we propose to transform the document graph into a word graph, to decouple data samples (i.e., documents in training and test sets) and a GCN model by using a document-independent graph. Such word-level GCN could therefore naturally inference out-of-graph documents in an inductive way. The proposed Word-level Graph (WGraph) can not only implicitly learning word presentation with commonly-used word co-occurrences in corpora, but also incorporate extra global semantic dependency derived from inter-document relationships (e.g., literature citations). An inductive Word-grounded Graph Convolutional Network (WGCN) is proposed to learn word and document representations based on WGraph in a supervised manner. Experiments on text classification with and without citation networks evidence that the proposed WGCN model outperforms existing methods in terms of effectiveness and efficiency.

Visual concept composition, which aims to integrate different elements from images and videos into a single, coherent visual output, still falls short in accurately extracting complex concepts from visual inputs and flexibly combining concepts from both images and videos. We introduce Bind & Compose, a one-shot method that enables flexible visual concept composition by binding visual concepts with corresponding prompt tokens and composing the target prompt with bound tokens from various sources. It adopts a hierarchical binder structure for cross-attention conditioning in Diffusion Transformers to encode visual concepts into corresponding prompt tokens for accurate decomposition of complex visual concepts. To improve concept-token binding accuracy, we design a Diversify-and-Absorb Mechanism that uses an extra absorbent token to eliminate the impact of concept-irrelevant details when training with diversified prompts. To enhance the compatibility between image and video concepts, we present a Temporal Disentanglement Strategy that decouples the training process of video concepts into two stages with a dual-branch binder structure for temporal modeling. Evaluations demonstrate that our method achieves superior concept consistency, prompt fidelity, and motion quality over existing approaches, opening up new possibilities for visual creativity.

We present Probabilistic Structure Integration (PSI), a system for learning richly controllable and flexibly promptable world models from data. PSI consists of a three-step cycle. The first step, Probabilistic prediction, involves building a probabilistic graphical model Psi of the data, in the form of a random-access autoregressive sequence model. Psi supports a complete set of learned conditional distributions describing the dependence of any variables in the data on any other set of variables. In step 2, Structure extraction, we show how to extract underlying low-dimensional properties in the data, corresponding to a diverse set of meaningful "intermediate structures", in a zero-shot fashion via causal inference on Psi. Step 3, Integration, completes the cycle by converting these structures into new token types that are then continually mixed back into the training diet as conditioning signals and prediction targets. Each such cycle augments the capabilities of Psi, both allowing it to model the underlying data better, and creating new control handles -- akin to an LLM-like universal prompting language. We train an instance of Psi on 1.4 trillion tokens of internet video data; we use it to perform a variety of useful video prediction and understanding inferences; we extract state-of-the-art optical flow, self-supervised depth and object segmentation; and we use these structures to support a full cycle of predictive improvements.

Model pre-training is essential in human-centric perception. In this paper, we first introduce masked image modeling (MIM) as a pre-training approach for this task. Upon revisiting the MIM training strategy, we reveal that human structure priors offer significant potential. Motivated by this insight, we further incorporate an intuitive human structure prior - human parts - into pre-training. Specifically, we employ this prior to guide the mask sampling process. Image patches, corresponding to human part regions, have high priority to be masked out. This encourages the model to concentrate more on body structure information during pre-training, yielding substantial benefits across a range of human-centric perception tasks. To further capture human characteristics, we propose a structure-invariant alignment loss that enforces different masked views, guided by the human part prior, to be closely aligned for the same image. We term the entire method as HAP. HAP simply uses a plain ViT as the encoder yet establishes new state-of-the-art performance on 11 human-centric benchmarks, and on-par result on one dataset. For example, HAP achieves 78.1% mAP on MSMT17 for person re-identification, 86.54% mA on PA-100K for pedestrian attribute recognition, 78.2% AP on MS COCO for 2D pose estimation, and 56.0 PA-MPJPE on 3DPW for 3D pose and shape estimation.

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. Quickly generating and predicting inorganic crystal structures is important for the discovery of new materials, which can target applications such as energy or electronic devices. However, most current methods for crystal structure prediction are computationally expensive, slowing the pace of innovation. Seeding structure prediction algorithms with quality generated candidates can overcome a major bottleneck. Here, we introduce CrystaLLM, a methodology for the versatile generation of crystal structures, based on the autoregressive large language modeling (LLM) of the Crystallographic Information File (CIF) format. Trained on millions of CIF files, CrystaLLM focuses on modeling crystal structures through text. CrystaLLM can produce plausible crystal structures for a wide range of inorganic compounds unseen in training, as demonstrated by ab initio simulations. The integration with predictors of formation energy permits the use of a Monte Carlo Tree Search algorithm to improve the generation of meaningful structures. Our approach challenges conventional representations of crystals, and demonstrates the potential of LLMs for learning effective 'world models' of crystal chemistry, which will lead to accelerated discovery and innovation in materials science.

We present AROMA (Attentive Reduced Order Model with Attention), a framework designed to enhance the modeling of partial differential equations (PDEs) using local neural fields. Our flexible encoder-decoder architecture can obtain smooth latent representations of spatial physical fields from a variety of data types, including irregular-grid inputs and point clouds. This versatility eliminates the need for patching and allows efficient processing of diverse geometries. The sequential nature of our latent representation can be interpreted spatially and permits the use of a conditional transformer for modeling the temporal dynamics of PDEs. By employing a diffusion-based formulation, we achieve greater stability and enable longer rollouts compared to conventional MSE training. AROMA's superior performance in simulating 1D and 2D equations underscores the efficacy of our approach in capturing complex dynamical behaviors.

While existing Singing Voice Synthesis systems achieve high-fidelity solo performances, they are constrained by global timbre control, failing to address dynamic multi-singer arrangement and vocal texture within a single song. To address this, we propose Tutti, a unified framework designed for structured multi-singer generation. Specifically, we introduce a Structure-Aware Singer Prompt to enable flexible singer scheduling evolving with musical structure, and propose Complementary Texture Learning via Condition-Guided VAE to capture implicit acoustic textures (e.g., spatial reverberation and spectral fusion) that are complementary to explicit controls. Experiments demonstrate that Tutti excels in precise multi-singer scheduling and significantly enhances the acoustic realism of choral generation, offering a novel paradigm for complex multi-singer arrangement. Audio samples are available at https://annoauth123-ctrl.github.io/Tutii_Demo/.

There are two major classes of natural language grammar -- the dependency grammar that models one-to-one correspondences between words and the constituency grammar that models the assembly of one or several corresponded words. While previous unsupervised parsing methods mostly focus on only inducing one class of grammars, we introduce a novel model, StructFormer, that can simultaneously induce dependency and constituency structure. To achieve this, we propose a new parsing framework that can jointly generate a constituency tree and dependency graph. Then we integrate the induced dependency relations into the transformer, in a differentiable manner, through a novel dependency-constrained self-attention mechanism. Experimental results show that our model can achieve strong results on unsupervised constituency parsing, unsupervised dependency parsing, and masked language modeling at the same time.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

Most human proteins remain undrugged, over 96% of human proteins remain unexploited by approved therapeutics. While structure-based virtual screening promises to expand the druggable proteome, existing methods lack atomic-level precision and fail to predict binding fitness, limiting translational impact. We present AuroBind, a scalable virtual screening framework that fine-tunes a custom atomic-level structural model on million-scale chemogenomic data. AuroBind integrates direct preference optimization, self-distillation from high-confidence complexes, and a teacher-student acceleration strategy to jointly predict ligand-bound structures and binding fitness. The proposed models outperform state-of-the-art models on structural and functional benchmarks while enabling 100,000-fold faster screening across ultra-large compound libraries. In a prospective screen across ten disease-relevant targets, AuroBind achieved experimental hit rates of 7-69%, with top compounds reaching sub-nanomolar to picomolar potency. For the orphan GPCRs GPR151 and GPR160, AuroBind identified both agonists and antagonists with success rates of 16-30%, and functional assays confirmed GPR160 modulation in liver and prostate cancer models. AuroBind offers a generalizable framework for structure-function learning and high-throughput molecular screening, bridging the gap between structure prediction and therapeutic discovery.

Personalizing AI systems requires understanding not just what users prefer, but the reasons that underlie those preferences - yet current preference models typically treat human judgment as a black box. We introduce PrefPalette, a framework that decomposes preferences into attribute dimensions and tailors its preference prediction to distinct social community values in a human-interpretable manner. PrefPalette operationalizes a cognitive science principle known as multi-attribute decision making in two ways: (1) a scalable counterfactual attribute synthesis step that involves generating synthetic training data to isolate for individual attribute effects (e.g., formality, humor, cultural values), and (2) attention-based preference modeling that learns how different social communities dynamically weight these attributes. This approach moves beyond aggregate preference modeling to capture the diverse evaluation frameworks that drive human judgment. When evaluated on 45 social communities from the online platform Reddit, PrefPalette outperforms GPT-4o by 46.6% in average prediction accuracy. Beyond raw predictive improvements, PrefPalette also shed light on intuitive, community-specific profiles: scholarly communities prioritize verbosity and stimulation, conflict-oriented communities value sarcasm and directness, and support-based communities emphasize empathy. By modeling the attribute-mediated structure of human judgment, PrefPalette delivers both superior preference modeling and transparent, interpretable insights, and serves as a first step toward more trustworthy, value-aware personalized applications.

Recommending novel content, which expands user horizons by introducing them to new interests, has been shown to improve users' long-term experience on recommendation platforms chen2021values. Users however are not constantly looking to explore novel content. It is therefore crucial to understand their novelty-seeking intent and adjust the recommendation policy accordingly. Most existing literature models a user's propensity to choose novel content or to prefer a more diverse set of recommendations at individual interactions. Hierarchical structure, on the other hand, exists in a user's novelty-seeking intent, which is manifested as a static and intrinsic user preference for seeking novelty along with a dynamic session-based propensity. To this end, we propose a novel hierarchical reinforcement learning-based method to model the hierarchical user novelty-seeking intent, and to adapt the recommendation policy accordingly based on the extracted user novelty-seeking propensity. We further incorporate diversity and novelty-related measurement in the reward function of the hierarchical RL (HRL) agent to encourage user exploration chen2021values. We demonstrate the benefits of explicitly modeling hierarchical user novelty-seeking intent in recommendations through extensive experiments on simulated and real-world datasets. In particular, we demonstrate that the effectiveness of our proposed hierarchical RL-based method lies in its ability to capture such hierarchically-structured intent. As a result, the proposed HRL model achieves superior performance on several public datasets, compared with state-of-art baselines.

Universally modeling all typical information extraction tasks (UIE) with one generative language model (GLM) has revealed great potential by the latest study, where various IE predictions are unified into a linearized hierarchical expression under a GLM. Syntactic structure information, a type of effective feature which has been extensively utilized in IE community, should also be beneficial to UIE. In this work, we propose a novel structure-aware GLM, fully unleashing the power of syntactic knowledge for UIE. A heterogeneous structure inductor is explored to unsupervisedly induce rich heterogeneous structural representations by post-training an existing GLM. In particular, a structural broadcaster is devised to compact various latent trees into explicit high-order forests, helping to guide a better generation during decoding. We finally introduce a task-oriented structure fine-tuning mechanism, further adjusting the learned structures to most coincide with the end-task's need. Over 12 IE benchmarks across 7 tasks our system shows significant improvements over the baseline UIE system. Further in-depth analyses show that our GLM learns rich task-adaptive structural bias that greatly resolves the UIE crux, the long-range dependence issue and boundary identifying. Source codes are open at https://github.com/ChocoWu/LasUIE.

The Text-to-SQL task, aiming to translate the natural language of the questions into SQL queries, has drawn much attention recently. One of the most challenging problems of Text-to-SQL is how to generalize the trained model to the unseen database schemas, also known as the cross-domain Text-to-SQL task. The key lies in the generalizability of (i) the encoding method to model the question and the database schema and (ii) the question-schema linking method to learn the mapping between words in the question and tables/columns in the database schema. Focusing on the above two key issues, we propose a Structure-Aware Dual Graph Aggregation Network (SADGA) for cross-domain Text-to-SQL. In SADGA, we adopt the graph structure to provide a unified encoding model for both the natural language question and database schema. Based on the proposed unified modeling, we further devise a structure-aware aggregation method to learn the mapping between the question-graph and schema-graph. The structure-aware aggregation method is featured with Global Graph Linking, Local Graph Linking, and Dual-Graph Aggregation Mechanism. We not only study the performance of our proposal empirically but also achieved 3rd place on the challenging Text-to-SQL benchmark Spider at the time of writing.

Logical reasoning task has attracted great interest since it was proposed. Faced with such a task, current competitive models, even large language models (e.g., ChatGPT and PaLM 2), still perform badly. Previous promising LMs struggle in logical consistency modeling and logical structure perception. To this end, we model the logical reasoning task by transforming each logical sample into reasoning paths and propose an architecture PathReasoner. It addresses the task from the views of both data and model. To expand the diversity of the logical samples, we propose an atom extension strategy supported by equivalent logical formulas, to form new reasoning paths. From the model perspective, we design a stack of transformer-style blocks. In particular, we propose a path-attention module to joint model in-atom and cross-atom relations with the high-order diffusion strategy. Experiments show that PathReasoner achieves competitive performances on two logical reasoning benchmarks and great generalization abilities.

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models on relational data has shown great promise in generating synthetic data and imputing missing values. However, existing methods often struggle to capture this complexity, typically reducing relational data to conditionally generated flat tables and imposing limiting structural assumptions. To address these limitations, we introduce RelDiff, a novel diffusion generative model that synthesizes complete relational databases by explicitly modeling their foreign key graph structure. RelDiff combines a joint graph-conditioned diffusion process across all tables for attribute synthesis, and a 2K+SBM graph generator based on the Stochastic Block Model for structure generation. The decomposition of graph structure and relational attributes ensures both high fidelity and referential integrity, both of which are crucial aspects of synthetic relational database generation. Experiments on 11 benchmark datasets demonstrate that RelDiff consistently outperforms prior methods in producing realistic and coherent synthetic relational databases. Code is available at https://github.com/ValterH/RelDiff.

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. This paper introduces OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve (mixed integer) linear programming problems from their natural language descriptions. OptiMUS can develop mathematical models, write and debug solver code, evaluate the generated solutions, and improve its model and code based on these evaluations. OptiMUS utilizes a modular structure to process problems, allowing it to handle problems with long descriptions and complex data without long prompts. Experiments demonstrate that OptiMUS outperforms existing state-of-the-art methods on easy datasets by more than 20% and on hard datasets (including a new dataset, NLP4LP, released with this paper that features long and complex problems) by more than 30%.

Text-to-motion generation requires modeling both global action structure and fine-grained motion dynamics from natural language. Existing approaches typically rely on either continuous diffusion models or vector-quantized discrete representations. Diffusion models generate smooth motions but lack explicit compositional structure for temporal planning, while discrete token-based methods improve controllability but compress motion into finite codebooks, losing fine-grained dynamics. We argue that this limitation stems from a representation mismatch: action semantics such as intent, phase transitions, and temporal layout are inherently discrete and compositional, whereas joint trajectories and motion dynamics are continuous and locally correlated. To address this, we propose DC-Motion, a discrete-continuous factorized framework for human motion generation. DC-Motion decomposes motion into discrete structural tokens capturing global action layout and continuous residual latents modeling fine-grained dynamics. A text-conditioned structure generator predicts discrete tokens via iterative masked modeling, and a diffusion-based residual generator produces continuous motion conditioned on the structure. Experiments on HumanML3D and KIT-ML demonstrate that DC-Motion achieves strong performance in both FID and R-Precision, outperforming representative diffusion-based and discrete-token baselines.

Structural survival of offshore structures is crucial for the growing marine economy. Calculating the added mass, radiation damping, and excitation coefficients to quantify wave loads with the traditional boundary element method (BEM) presents a computational bottleneck. The matched eigenfunction expansion method (MEEM), a long-known but rarely-used alternative, offers computational benefits due to its semi-analytical nature. However, previous work fails to directly compare its accuracy and computational performance with BEM, leaving the extent of its utility unknown. Furthermore, the geometry-dependent convergence for cylindrical and slanted geometries has not yet been documented, making the method's practicality for general geometries unclear. This paper presents a unifying MEEM framework for modeling an arbitrary number of fixed or heaving surface-piercing annular cylinders with continuous and radially-monotonic body profiles, and explores the method's block matrix structure, convergence behavior, ability to accurately approximate slanted geometries, and computational advantages over the BEM solver Capytaine. The numerical experiments show that MEEM can compute hydrodynamic coefficients of slanted geometries within 5% of Capytaine, even for angles as steep as 15 degrees from vertical. Finally, MEEM can achieve 2% convergence of its hydrodynamic coefficients an order of magnitude faster than Capytaine with a matrix size two orders of magnitude smaller, making it a computationally effective alternative to traditional BEM solvers. These contributions enable hydrodynamic analysis of a broad range of shapes with increased speed and confidence, paving the way for future optimization studies to yield improved designs.

Generative modeling has emerged as a promising approach for crystal structure discovery. However, existing LLM-based generative models struggle with low-level atomic precision, while diffusion-based methods fall short in integrating high-level scientific knowledge. As a result, generated structures are often invalid, unstable, or do not possess desirable properties. To address this gap, we propose CrystalReasoner (\method), an end-to-end LLM framework that generates crystal structures from natural language instructions through reasoning and alignment. \method introduces physical priors as thinking tokens, which include crystallographic symmetry, local coordination environments and predicted physical properties before generating atomic coordinates. This bridges the gap between natural language and 3D structures. \method then employs reinforcement learning (RL) with a multi-objective, dense reward function to align generation with physical validity, chemical consistency, and thermodynamic stability. For property-conditioned tasks, we design task-specific reward functions and train specialized models for discrete constraints (e.g., space group) and continuous properties (e.g., elasticity, thermal expansion). Empirical results demonstrate that compared to prior works and baselines without thinking traces or RL, \method obtains better performance on diverse metrics, triples S.U.N. ratio, and achieves better performance for property conditioned generation. \method also exhibits adaptive reasoning, increasing reasoning lengths as the number of atoms increases. Our work demonstrates the potential of leveraging thinking traces and RL for generating valid, stable, and property-conditioned crystal structures. Please see our work at https://crystalreasoner.github.io/ .

We report the discovery of bimodal structure in the drift rate distribution of upward-drifting burst clusters from the hyperactive repeating fast radio burst FRB 20240114A. Using unsupervised machine learning (UMAP dimensionality reduction combined with HDBSCAN density-based clustering) applied to 233 upward-drifting burst clusters from the FAST telescope dataset, we identify a distinct subpopulation of 45 burst clusters (Cluster C1) with mean drift rates 2.5x higher than typical upward-drifting burst clusters (245.6 vs 98.1 MHz/ms). Gaussian mixture modeling reveals strong evidence for bimodality (delta-BIC = 296.6), with clearly separated modes (Ashman's D = 2.70 > 2) and a statistically significant gap in the distribution (11.3 sigma). Crucially, we demonstrate that this bimodality persists when restricting the analysis to single-component (U1) burst clusters only (delta-BIC = 19.9, Ashman's D = 2.71), confirming that the result is not an artifact of combining single- and multi-component burst clusters with different drift rate definitions. The extreme-drift subpopulation also exhibits systematically lower peak frequencies (-7%), shorter durations (-29%), and distinct clustering in multi-dimensional feature space. These findings are suggestive of two spatially separated emission regions in the magnetosphere, each producing upward-drifting burst clusters with distinct physical characteristics, although confirmation requires observations from additional epochs and sources.

Recent years have witnessed a surge in the development of protein structural tokenization methods, which chunk protein 3D structures into discrete or continuous representations. Structure tokenization enables the direct application of powerful techniques like language modeling for protein structures, and large multimodal models to integrate structures with protein sequences and functional texts. Despite the progress, the capabilities and limitations of these methods remain poorly understood due to the lack of a unified evaluation framework. We first introduce StructTokenBench, a framework that comprehensively evaluates the quality and efficiency of structure tokenizers, focusing on fine-grained local substructures rather than global structures, as typical in existing benchmarks. Our evaluations reveal that no single model dominates all benchmarking perspectives. Observations of codebook under-utilization led us to develop AminoAseed, a simple yet effective strategy that enhances codebook gradient updates and optimally balances codebook size and dimension for improved tokenizer utilization and quality. Compared to the leading model ESM3, our method achieves an average of 6.31% performance improvement across 24 supervised tasks, with sensitivity and utilization rates increased by 12.83% and 124.03%, respectively. Source code and model weights are available at https://github.com/KatarinaYuan/StructTokenBench

Large deployable mesh reflectors are essential for space applications, providing precise reflecting surfaces for high-gain antennas used in satellite communications, Earth observation, and deep-space missions. During on-orbit missions, active shape adjustment and attitude control are crucial for maintaining surface accuracy and proper orientation for these reflectors, ensuring optimal performance. Preventing resonance through thorough dynamic modeling and vibration analysis is vital to avoid structural damage and ensure stability and reliability. Existing dynamic modeling approaches, such as wave and finite element methods, often fail to accurately predict dynamic responses due to the limited capability of handling three-dimensional reflectors or the oversimplification of cable members of a reflector. This paper proposes the Cartesian spatial discretization method for dynamic modeling and vibration analysis of cable-network structures in large deployable mesh reflectors. This method defines cable member positions as a summation of internal and boundary-induced terms within a global Cartesian coordinate system. Numerical simulation on a two-dimensional cable-network structure and a center-feed mesh reflector demonstrates the superiority of the proposed method over traditional approaches, highlighting its accuracy and versatility, and establishing it as a robust tool for analyzing three-dimensional complex reflector configurations.

Normalizing flows (NFs) are end-to-end likelihood-based generative models for continuous data, and have recently regained attention with encouraging progress on image generation. Yet in the video generation domain, where spatiotemporal complexity and computational cost are substantially higher, state-of-the-art systems almost exclusively rely on diffusion-based models. In this work, we revisit this design space by presenting STARFlow-V, a normalizing flow-based video generator with substantial benefits such as end-to-end learning, robust causal prediction, and native likelihood estimation. Building upon the recently proposed STARFlow, STARFlow-V operates in the spatiotemporal latent space with a global-local architecture which restricts causal dependencies to a global latent space while preserving rich local within-frame interactions. This eases error accumulation over time, a common pitfall of standard autoregressive diffusion model generation. Additionally, we propose flow-score matching, which equips the model with a light-weight causal denoiser to improve the video generation consistency in an autoregressive fashion. To improve the sampling efficiency, STARFlow-V employs a video-aware Jacobi iteration scheme that recasts inner updates as parallelizable iterations without breaking causality. Thanks to the invertible structure, the same model can natively support text-to-video, image-to-video as well as video-to-video generation tasks. Empirically, STARFlow-V achieves strong visual fidelity and temporal consistency with practical sampling throughput relative to diffusion-based baselines. These results present the first evidence, to our knowledge, that NFs are capable of high-quality autoregressive video generation, establishing them as a promising research direction for building world models. Code and generated samples are available at https://github.com/apple/ml-starflow.

Sparse autoencoders (SAEs) have emerged as a promising method for interpreting neural network representations by decomposing activations into sparse combinations of dictionary atoms. However, SAEs assume that features combine additively through linear reconstruction, an assumption that cannot capture compositional structure: linear models cannot distinguish whether "Starbucks" arises from the composition of "star" and "coffee" features or merely their co-occurrence. This forces SAEs to allocate monolithic features for compound concepts rather than decomposing them into interpretable constituents. We introduce PolySAE, which extends the SAE decoder with higher-order terms to model feature interactions while preserving the linear encoder essential for interpretability. Through low-rank tensor factorization on a shared projection subspace, PolySAE captures pairwise and triple feature interactions with small parameter overhead (3% on GPT2). Across four language models and three SAE variants, PolySAE achieves an average improvement of approximately 8% in probing F1 while maintaining comparable reconstruction error, and produces 2-10times larger Wasserstein distances between class-conditional feature distributions. Critically, learned interaction weights exhibit negligible correlation with co-occurrence frequency (r = 0.06 vs. r = 0.82 for SAE feature covariance), suggesting that polynomial terms capture compositional structure, such as morphological binding and phrasal composition, largely independent of surface statistics.

Molecular structure elucidation from spectra is a foundational problem in chemistry, with profound implications for compound identification, synthesis, and drug development. Traditional methods rely heavily on expert interpretation and lack scalability. Pioneering machine learning methods have introduced retrieval-based strategies, but their reliance on finite libraries limits generalization to novel molecules. Generative models offer a promising alternative, yet most adopt autoregressive SMILES-based architectures that overlook 3D geometry and struggle to integrate diverse spectral modalities. In this work, we present DiffSpectra, a generative framework that directly infers both 2D and 3D molecular structures from multi-modal spectral data using diffusion models. DiffSpectra formulates structure elucidation as a conditional generation process. Its denoising network is parameterized by Diffusion Molecule Transformer, an SE(3)-equivariant architecture that integrates topological and geometric information. Conditioning is provided by SpecFormer, a transformer-based spectral encoder that captures intra- and inter-spectral dependencies from multi-modal spectra. Extensive experiments demonstrate that DiffSpectra achieves high accuracy in structure elucidation, recovering exact structures with 16.01% top-1 accuracy and 96.86% top-20 accuracy through sampling. The model benefits significantly from 3D geometric modeling, SpecFormer pre-training, and multi-modal conditioning. These results highlight the effectiveness of spectrum-conditioned diffusion modeling in addressing the challenge of molecular structure elucidation. To our knowledge, DiffSpectra is the first framework to unify multi-modal spectral reasoning and joint 2D/3D generative modeling for de novo molecular structure elucidation.

The integration of tools in LLM-based agents overcame the difficulties of standalone LLMs and traditional agents' limited capabilities. However, the conjunction of these technologies and the proposed enhancements in several state-of-the-art works followed a non-unified software architecture resulting in a lack of modularity. Indeed, they focused mainly on functionalities and overlooked the definition of the component's boundaries within the agent. This caused terminological and architectural ambiguities between researchers which we addressed in this paper by proposing a unified framework that establishes a clear foundation for LLM-based agents' development from both functional and software architectural perspectives. Our framework, LLM-Agent-UMF (LLM-based Agent Unified Modeling Framework), clearly distinguishes between the different components of an agent, setting LLMs, and tools apart from a newly introduced element: the core-agent, playing the role of the central coordinator of the agent which comprises five modules: planning, memory, profile, action, and security, the latter often neglected in previous works. Differences in the internal structure of core-agents led us to classify them into a taxonomy of passive and active types. Based on this, we proposed different multi-core agent architectures combining unique characteristics of various individual agents. For evaluation purposes, we applied this framework to a selection of state-of-the-art agents, thereby demonstrating its alignment with their functionalities and clarifying the overlooked architectural aspects. Moreover, we thoroughly assessed four of our proposed architectures by integrating distinctive agents into hybrid active/passive core-agents' systems. This analysis provided clear insights into potential improvements and highlighted the challenges involved in the combination of specific agents.

The integration of molecule and language has garnered increasing attention in molecular science. Recent advancements in Language Models (LMs) have demonstrated potential for the comprehensive modeling of molecule and language. However, existing works exhibit notable limitations. Most existing works overlook the modeling of 3D information, which is crucial for understanding molecular structures and also functions. While some attempts have been made to leverage external structure encoding modules to inject the 3D molecular information into LMs, there exist obvious difficulties that hinder the integration of molecular structure and language text, such as modality alignment and separate tuning. To bridge this gap, we propose 3D-MolT5, a unified framework designed to model both 1D molecular sequence and 3D molecular structure. The key innovation lies in our methodology for mapping fine-grained 3D substructure representations (based on 3D molecular fingerprints) to a specialized 3D token vocabulary for 3D-MolT5. This 3D structure token vocabulary enables the seamless combination of 1D sequence and 3D structure representations in a tokenized format, allowing 3D-MolT5 to encode molecular sequence (SELFIES), molecular structure, and text sequences within a unified architecture. Alongside, we further introduce 1D and 3D joint pre-training to enhance the model's comprehension of these diverse modalities in a joint representation space and better generalize to various tasks for our foundation model. Through instruction tuning on multiple downstream datasets, our proposed 3D-MolT5 shows superior performance than existing methods in molecular property prediction, molecule captioning, and text-based molecule generation tasks. Our code will be available on GitHub soon.

This paper explores the potential of constructing an AI spoken dialogue system that "thinks how to respond" and "thinks how to speak" simultaneously, which more closely aligns with the human speech production process compared to the current cascade pipeline of independent chatbot and Text-to-Speech (TTS) modules. We hypothesize that Large Language Models (LLMs) with billions of parameters possess significant speech understanding capabilities and can jointly model dialogue responses and linguistic features. We conduct two sets of experiments: 1) Prosodic structure prediction, a typical front-end task in TTS, demonstrating the speech understanding ability of LLMs, and 2) Further integrating dialogue response and a wide array of linguistic features using a unified encoding format. Our results indicate that the LLM-based approach is a promising direction for building unified spoken dialogue systems.

We present Chain-of-Action (CoA), a novel visuo-motor policy paradigm built upon Trajectory Autoregressive Modeling. Unlike conventional approaches that predict next step action(s) forward, CoA generates an entire trajectory by explicit backward reasoning with task-specific goals through an action-level Chain-of-Thought (CoT) process. This process is unified within a single autoregressive structure: (1) the first token corresponds to a stable keyframe action that encodes the task-specific goals; and (2) subsequent action tokens are generated autoregressively, conditioned on the initial keyframe and previously predicted actions. This backward action reasoning enforces a global-to-local structure, allowing each local action to be tightly constrained by the final goal. To further realize the action reasoning structure, CoA incorporates four complementary designs: continuous action token representation; dynamic stopping for variable-length trajectory generation; reverse temporal ensemble; and multi-token prediction to balance action chunk modeling with global structure. As a result, CoA gives strong spatial generalization capabilities while preserving the flexibility and simplicity of a visuo-motor policy. Empirically, we observe CoA achieves the state-of-the-art performance across 60 RLBench tasks and 8 real-world manipulation tasks.

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence alignments, such as MSA Transformer and the EvoFormer module of AlphaFold. We formulate the problem of pairing interacting partners among the paralogs of two protein families in a differentiable way. We introduce a method called DiffPALM that solves it by exploiting the ability of MSA Transformer to fill in masked amino acids in multiple sequence alignments using the surrounding context. MSA Transformer encodes coevolution between functionally or structurally coupled amino acids. We show that it captures inter-chain coevolution, while it was trained on single-chain data, which means that it can be used out-of-distribution. Relying on MSA Transformer without fine-tuning, DiffPALM outperforms existing coevolution-based pairing methods on difficult benchmarks of shallow multiple sequence alignments extracted from ubiquitous prokaryotic protein datasets. It also outperforms an alternative method based on a state-of-the-art protein language model trained on single sequences. Paired alignments of interacting protein sequences are a crucial ingredient of supervised deep learning methods to predict the three-dimensional structure of protein complexes. DiffPALM substantially improves the structure prediction of some eukaryotic protein complexes by AlphaFold-Multimer, without significantly deteriorating any of those we tested. It also achieves competitive performance with using orthology-based pairing.

Convolutional models have been widely used in multiple domains. However, most existing models only use local convolution, making the model unable to handle long-range dependency efficiently. Attention overcomes this problem by aggregating global information but also makes the computational complexity quadratic to the sequence length. Recently, Gu et al. [2021] proposed a model called S4 inspired by the state space model. S4 can be efficiently implemented as a global convolutional model whose kernel size equals the input sequence length. S4 can model much longer sequences than Transformers and achieve significant gains over SoTA on several long-range tasks. Despite its empirical success, S4 is involved. It requires sophisticated parameterization and initialization schemes. As a result, S4 is less intuitive and hard to use. Here we aim to demystify S4 and extract basic principles that contribute to the success of S4 as a global convolutional model. We focus on the structure of the convolution kernel and identify two critical but intuitive principles enjoyed by S4 that are sufficient to make up an effective global convolutional model: 1) The parameterization of the convolutional kernel needs to be efficient in the sense that the number of parameters should scale sub-linearly with sequence length. 2) The kernel needs to satisfy a decaying structure that the weights for convolving with closer neighbors are larger than the more distant ones. Based on the two principles, we propose a simple yet effective convolutional model called Structured Global Convolution (SGConv). SGConv exhibits strong empirical performance over several tasks: 1) With faster speed, SGConv surpasses S4 on Long Range Arena and Speech Command datasets. 2) When plugging SGConv into standard language and vision models, it shows the potential to improve both efficiency and performance.

Vision-language models (VLMs) pretrained on large-scale image-text pairs demonstrate strong image-level understanding, but are primarily optimized for global alignment and do not explicitly encode fine-grained anatomical structure, limiting their suitability for spatially precise tasks such as segmentation. We introduce CheXanatomy, a framework that integrates explicit anatomical knowledge into a pretrained VLM through autoregressive token-space supervision. Instead of adding task-specific decoder heads, the model is trained to generate anatomical segmentation masks via next-token prediction. To enable scalable supervision, we synthesize realistic chest radiographs from CT volumes and forward-project CT segmentation labels to obtain anatomically consistent 2D masks. We evaluate the approach on synthetic and real chest radiographs against a U-Net baseline, including ablations on model scale, input resolution, and vision encoder fine-tuning. Autoregressive anatomical supervision achieves performance comparable to specialized convolutional models in-distribution and demonstrates improved geometric robustness under domain shift to real CXR data. In addition, anatomy-pretrained models exhibit improved sample efficiency when adapting to novel localization tasks under limited supervision. Larger models and higher input image resolution improve performance, while vision encoder fine-tuning has limited effect. These results show that embedding anatomical structure directly into the generative objective promotes spatially grounded representations and supports anatomy-aware medical vision-language modeling.

Recent advances in generative modeling show that pretrained representations can improve generation as conditioning features or alignment targets. Motivated by this, we study protein representations for predicting structures beyond conventional function annotation. We propose TriProRep, a structure-aware pretraining method that jointly models three aligned residue-level views: amino-acid identity, backbone geometry, and local full-atom geometry, discretely encoded via VQ-VAE tokenizers. By pretraining to recover original tokens from generator-corrupted views, TriProRep learns to distinguish plausible but incorrect cross-view augmentations from the original protein. We further introduce RepSP, a benchmark for evaluating protein representations in structure-predictive settings. RepSP tests three uses of representations: homodimer co-folding from apo-chain representations, residue-level prediction of homodimer-derived interaction properties, and representation-aligned monomer structure prediction. Across these tasks, TriProRep improves over sequence-only and prior structure-aware representation models, while maintaining competitive performance on conventional benchmarks.

Galactic rotation curves are crucial for understanding the distribution of mass in galaxies. Despite advances in precision observations, there are discrepancies between the inferred mass from luminosity and the observed rotational velocities, often attributed to dark matter. While traditional parametric models provide valuable insights, they struggle with complex galactic features like prominent bulges and non-circular motions. In this study, we apply artificial neural networks to generate robust, data-driven models, tailored to each galaxy, for the rotation curves of spiral galaxies using high-quality observational data. Our approach demonstrates that neural networks can effectively capture the intricate structure of rotation curves without relying on predefined astrophysical assumptions. By comparing the data-based models with the Navarro-Frenk-White model under two different assumptions for the stellar component, we classify galaxies based on the model that best fits their rotation curves, offering insights into the limitations and strengths of both theoretical and data-based methods. This work highlights the potential of machine learning techniques in identifying galaxies whose dynamics are not well captured by standard theoretical models, pointing to the need for more refined physical descriptions.

Pixel-level segmentation of structural cracks across various scenarios remains a considerable challenge. Current methods encounter challenges in effectively modeling crack morphology and texture, facing challenges in balancing segmentation quality with low computational resource usage. To overcome these limitations, we propose a lightweight Structure-Aware Vision Mamba Network (SCSegamba), capable of generating high-quality pixel-level segmentation maps by leveraging both the morphological information and texture cues of crack pixels with minimal computational cost. Specifically, we developed a Structure-Aware Visual State Space module (SAVSS), which incorporates a lightweight Gated Bottleneck Convolution (GBC) and a Structure-Aware Scanning Strategy (SASS). The key insight of GBC lies in its effectiveness in modeling the morphological information of cracks, while the SASS enhances the perception of crack topology and texture by strengthening the continuity of semantic information between crack pixels. Experiments on crack benchmark datasets demonstrate that our method outperforms other state-of-the-art (SOTA) methods, achieving the highest performance with only 2.8M parameters. On the multi-scenario dataset, our method reached 0.8390 in F1 score and 0.8479 in mIoU. The code is available at https://github.com/Karl1109/SCSegamba.

Understanding the structure and function of circuits is crucial for electronic design automation (EDA). Circuits can be formulated as And-Inverter graphs (AIGs), enabling efficient implementation of representation learning through graph neural networks (GNNs). Masked modeling paradigms have been proven effective in graph representation learning. However, masking augmentation to original circuits will destroy their logical equivalence, which is unsuitable for circuit representation learning. Moreover, existing masked modeling paradigms often prioritize structural information at the expense of abstract information such as circuit function. To address these limitations, we introduce MGVGA, a novel constrained masked modeling paradigm incorporating masked gate modeling (MGM) and Verilog-AIG alignment (VGA). Specifically, MGM preserves logical equivalence by masking gates in the latent space rather than in the original circuits, subsequently reconstructing the attributes of these masked gates. Meanwhile, large language models (LLMs) have demonstrated an excellent understanding of the Verilog code functionality. Building upon this capability, VGA performs masking operations on original circuits and reconstructs masked gates under the constraints of equivalent Verilog codes, enabling GNNs to learn circuit functions from LLMs. We evaluate MGVGA on various logic synthesis tasks for EDA and show the superior performance of MGVGA compared to previous state-of-the-art methods. Our code is available at https://github.com/wuhy68/MGVGA.

Understanding how humans perceive visual complexity is a key area of study in visual cognition. Previous approaches to modeling visual complexity assessments have often resulted in intricate, difficult-to-interpret algorithms that employ numerous features or sophisticated deep learning architectures. While these complex models achieve high performance on specific datasets, they often sacrifice interpretability, making it challenging to understand the factors driving human perception of complexity. Recently (Shen, et al. 2024) proposed an interpretable segmentation-based model that accurately predicted complexity across various datasets, supporting the idea that complexity can be explained simply. In this work, we investigate the failure of their model to capture structural, color and surprisal contributions to complexity. To this end, we propose Multi-Scale Sobel Gradient (MSG) which measures spatial intensity variations, Multi-Scale Unique Color (MUC) which quantifies colorfulness across multiple scales, and surprise scores generated using a Large Language Model. We test our features on existing benchmarks and a novel dataset (Surprising Visual Genome) containing surprising images from Visual Genome. Our experiments demonstrate that modeling complexity accurately is not as simple as previously thought, requiring additional perceptual and semantic factors to address dataset biases. Our model improves predictive performance while maintaining interpretability, offering deeper insights into how visual complexity is perceived and assessed. Our code, analysis and data are available at https://github.com/Complexity-Project/Complexity-in-Complexity.

Articulated 3D object generation is fundamental for creating realistic, functional, and interactable virtual assets which are not simply static. We introduce MeshArt, a hierarchical transformer-based approach to generate articulated 3D meshes with clean, compact geometry, reminiscent of human-crafted 3D models. We approach articulated mesh generation in a part-by-part fashion across two stages. First, we generate a high-level articulation-aware object structure; then, based on this structural information, we synthesize each part's mesh faces. Key to our approach is modeling both articulation structures and part meshes as sequences of quantized triangle embeddings, leading to a unified hierarchical framework with transformers for autoregressive generation. Object part structures are first generated as their bounding primitives and articulation modes; a second transformer, guided by these articulation structures, then generates each part's mesh triangles. To ensure coherency among generated parts, we introduce structure-guided conditioning that also incorporates local part mesh connectivity. MeshArt shows significant improvements over state of the art, with 57.1% improvement in structure coverage and a 209-point improvement in mesh generation FID.

The rapid proliferation of fake news on social media threatens social stability, creating an urgent demand for more effective detection methods. While many promising approaches have emerged, most rely on content analysis with limited semantic depth, leading to suboptimal comprehension of news content.To address this limitation, capturing broader-range semantics is essential yet challenging, as it introduces two primary types of noise: fully connecting sentences in news graphs often adds unnecessary structural noise, while highly similar but authenticity-irrelevant sentences introduce feature noise, complicating the detection process. To tackle these issues, we propose BREAK, a broad-range semantics model for fake news detection that leverages a fully connected graph to capture comprehensive semantics while employing dual denoising modules to minimize both structural and feature noise. The semantic structure denoising module balances the graph's connectivity by iteratively refining it between two bounds: a sequence-based structure as a lower bound and a fully connected graph as the upper bound. This refinement uncovers label-relevant semantic interrelations structures. Meanwhile, the semantic feature denoising module reduces noise from similar semantics by diversifying representations, aligning distinct outputs from the denoised graph and sequence encoders using KL-divergence to achieve feature diversification in high-dimensional space. The two modules are jointly optimized in a bi-level framework, enhancing the integration of denoised semantics into a comprehensive representation for detection. Extensive experiments across four datasets demonstrate that BREAK significantly outperforms existing fake news detection methods.

There exists recent work in computer vision, named VAR, that proposes a new autoregressive paradigm for image generation. Diverging from the vanilla next-token prediction, VAR structurally reformulates the image generation into a coarse to fine next-scale prediction. In this paper, we show that this scale-wise autoregressive framework can be effectively decoupled into intra-scale modeling, which captures local spatial dependencies within each scale, and inter-scale modeling, which models cross-scale relationships progressively from coarse-to-fine scales. This decoupling structure allows to rebuild VAR in a more computationally efficient manner. Specifically, for intra-scale modeling -- crucial for generating high-fidelity images -- we retain the original bidirectional self-attention design to ensure comprehensive modeling; for inter-scale modeling, which semantically connects different scales but is computationally intensive, we apply linear-complexity mechanisms like Mamba to substantially reduce computational overhead. We term this new framework M-VAR. Extensive experiments demonstrate that our method outperforms existing models in both image quality and generation speed. For example, our 1.5B model, with fewer parameters and faster inference speed, outperforms the largest VAR-d30-2B. Moreover, our largest model M-VAR-d32 impressively registers 1.78 FID on ImageNet 256times256 and outperforms the prior-art autoregressive models LlamaGen/VAR by 0.4/0.19 and popular diffusion models LDM/DiT by 1.82/0.49, respectively. Code is avaiable at https://github.com/OliverRensu/MVAR.

Modeling temporal characteristics plays a significant role in the representation learning of audio waveform. We propose Contrastive Long-form Language-Audio Pretraining (CoLLAP) to significantly extend the perception window for both the input audio (up to 5 minutes) and the language descriptions (exceeding 250 words), while enabling contrastive learning across modalities and temporal dynamics. Leveraging recent Music-LLMs to generate long-form music captions for full-length songs, augmented with musical temporal structures, we collect 51.3K audio-text pairs derived from the large-scale AudioSet training dataset, where the average audio length reaches 288 seconds. We propose a novel contrastive learning architecture that fuses language representations with structured audio representations by segmenting each song into clips and extracting their embeddings. With an attention mechanism, we capture multimodal temporal correlations, allowing the model to automatically weigh and enhance the final fusion score for improved contrastive alignment. Finally, we develop two variants of the CoLLAP model with different types of backbone language models. Through comprehensive experiments on multiple long-form music-text retrieval datasets, we demonstrate consistent performance improvement in retrieval accuracy compared with baselines. We also show the pretrained CoLLAP models can be transferred to various music information retrieval tasks, with heterogeneous long-form multimodal contexts.

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of multi-modal generative training for more generalizable modeling? In this paper, we propose a principled way to define a diffusion model by constructing a unified multi-modal diffusion model in a common diffusion space. We define the forward diffusion process to be driven by an information aggregation from multiple types of task-data, e.g., images for a generation task and labels for a classification task. In the reverse process, we enforce information sharing by parameterizing a shared backbone denoising network with additional modality-specific decoder heads. Such a structure can simultaneously learn to generate different types of multi-modal data with a multi-task loss, which is derived from a new multi-modal variational lower bound that generalizes the standard diffusion model. We propose several multimodal generation settings to verify our framework, including image transition, masked-image training, joint image-label and joint image-representation generative modeling. Extensive experimental results on ImageNet indicate the effectiveness of our framework for various multi-modal generative modeling, which we believe is an important research direction worthy of more future explorations.

The incredible success of transformers on sequence modeling tasks can be largely attributed to the self-attention mechanism, which allows information to be transferred between different parts of a sequence. Self-attention allows transformers to encode causal structure which makes them particularly suitable for sequence modeling. However, the process by which transformers learn such causal structure via gradient-based training algorithms remains poorly understood. To better understand this process, we introduce an in-context learning task that requires learning latent causal structure. We prove that gradient descent on a simplified two-layer transformer learns to solve this task by encoding the latent causal graph in the first attention layer. The key insight of our proof is that the gradient of the attention matrix encodes the mutual information between tokens. As a consequence of the data processing inequality, the largest entries of this gradient correspond to edges in the latent causal graph. As a special case, when the sequences are generated from in-context Markov chains, we prove that transformers learn an induction head (Olsson et al., 2022). We confirm our theoretical findings by showing that transformers trained on our in-context learning task are able to recover a wide variety of causal structures.

In the process of numerically modeling natural languages, developing language embeddings is a vital step. However, it is challenging to develop functional embeddings for resource-poor languages such as Sinhala, for which sufficiently large corpora, effective language parsers, and any other required resources are difficult to find. In such conditions, the exploitation of existing models to come up with an efficacious embedding methodology to numerically represent text could be quite fruitful. This paper explores the effectivity of several one-tiered and two-tiered embedding architectures in representing Sinhala text in the sentiment analysis domain. With our findings, the two-tiered embedding architecture where the lower-tier consists of a word embedding and the upper-tier consists of a sentence embedding has been proven to perform better than one-tier word embeddings, by achieving a maximum F1 score of 88.04% in contrast to the 83.76% achieved by word embedding models. Furthermore, embeddings in the hyperbolic space are also developed and compared with Euclidean embeddings in terms of performance. A sentiment data set consisting of Facebook posts and associated reactions have been used for this research. To effectively compare the performance of different embedding systems, the same deep neural network structure has been trained on sentiment data with each of the embedding systems used to encode the text associated.

We propose a novel and flexible roof modeling approach that can be used for constructing planar 3D polygon roof meshes. Our method uses a graph structure to encode roof topology and enforces the roof validity by optimizing a simple but effective planarity metric we propose. This approach is significantly more efficient than using general purpose 3D modeling tools such as 3ds Max or SketchUp, and more powerful and expressive than specialized tools such as the straight skeleton. Our optimization-based formulation is also flexible and can accommodate different styles and user preferences for roof modeling. We showcase two applications. The first application is an interactive roof editing framework that can be used for roof design or roof reconstruction from aerial images. We highlight the efficiency and generality of our approach by constructing a mesh-image paired dataset consisting of 2539 roofs. Our second application is a generative model to synthesize new roof meshes from scratch. We use our novel dataset to combine machine learning and our roof optimization techniques, by using transformers and graph convolutional networks to model roof topology, and our roof optimization methods to enforce the planarity constraint.

The current large language models are mainly based on decode-only structure transformers, which have great in-context learning (ICL) capabilities. It is generally believed that the important foundation of its ICL capability is the induction heads mechanism, which requires at least two layers attention. In order to more efficiently implement the ability of the model's induction, we revisit the induction heads mechanism and proposed a KV shifting attention. We theoretically prove that the KV shifting attention reducing the model's requirements for the depth and width of the induction heads mechanism. Our experimental results demonstrate that KV shifting attention is beneficial to learning induction heads and language modeling, which lead to better performance or faster convergence from toy models to the pre-training models with more than 10 B parameters.

3D fragment reassembly aims to recover the rigid poses of unordered fragment point clouds or meshes in a common object coordinate system to reconstruct the complete shape. The problem becomes particularly challenging as the number of fragments grows, since the target shape is unknown and fragments provide weak semantic cues. Existing end-to-end approaches are prone to cascading failures due to unreliable contact reasoning, most notably inaccurate fragment adjacencies. To address this, we propose Structure-Aware Reassembly (SARe), a generative framework with SARe-Gen for Euclidean-space assembly generation and SARe-Refine for inference-time refinement, with explicit contact modeling. SARe-Gen jointly predicts fracture-surface token probabilities and an inter-fragment contact graph to localize contact regions and infer candidate adjacencies. It adopts a query-point-based conditioning scheme and extracts aligned local geometric tokens at query locations from a frozen geometry encoder, yielding queryable structural representations without additional structural pretraining. We further introduce an inference-time refinement stage, SARe-Refine. By verifying candidate contact edges with geometric-consistency checks, it selects reliable substructures and resamples the remaining uncertain regions while keeping verified parts fixed, leading to more stable and consistent assemblies in the many-fragment regime. We evaluate SARe across three settings, including synthetic fractures, simulated fractures from scanned real objects, and real physically fractured scans. The results demonstrate state-of-the-art performance, with more graceful degradation and higher success rates as the fragment count increases in challenging large-scale reassembly.

Multimodal molecular models often suffer from 3D conformer unreliability and modality collapse, limiting their robustness and generalization. We propose MuMo, a structured multimodal fusion framework that addresses these challenges in molecular representation through two key strategies. To reduce the instability of conformer-dependent fusion, we design a Structured Fusion Pipeline (SFP) that combines 2D topology and 3D geometry into a unified and stable structural prior. To mitigate modality collapse caused by naive fusion, we introduce a Progressive Injection (PI) mechanism that asymmetrically integrates this prior into the sequence stream, preserving modality-specific modeling while enabling cross-modal enrichment. Built on a state space backbone, MuMo supports long-range dependency modeling and robust information propagation. Across 29 benchmark tasks from Therapeutics Data Commons (TDC) and MoleculeNet, MuMo achieves an average improvement of 2.7% over the best-performing baseline on each task, ranking first on 22 of them, including a 27% improvement on the LD50 task. These results validate its robustness to 3D conformer noise and the effectiveness of multimodal fusion in molecular representation. The code is available at: github.com/selmiss/MuMo.

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

Spider silks are remarkable materials characterized by superb mechanical properties such as strength, extensibility and lightweightedness. Yet, to date, limited models are available to fully explore sequence-property relationships for analysis and design. Here we propose a custom generative large-language model to enable design of novel spider silk protein sequences to meet complex combinations of target mechanical properties. The model, pretrained on a large set of protein sequences, is fine-tuned on ~1,000 major ampullate spidroin (MaSp) sequences for which associated fiber-level mechanical properties exist, to yield an end-to-end forward and inverse generative strategy. Performance is assessed through: (1), a novelty analysis and protein type classification for generated spidroin sequences through BLAST searches, (2) property evaluation and comparison with similar sequences, (3) comparison of molecular structures, as well as, and (4) a detailed sequence motif analyses. We generate silk sequences with property combinations that do not exist in nature, and develop a deep understanding the mechanistic roles of sequence patterns in achieving overarching key mechanical properties (elastic modulus, strength, toughness, failure strain). The model provides an efficient approach to expand the silkome dataset, facilitating further sequence-structure analyses of silks, and establishes a foundation for synthetic silk design and optimization.

Sequence modeling has demonstrated state-of-the-art performance on natural language and document understanding tasks. However, it is challenging to correctly serialize tokens in form-like documents in practice due to their variety of layout patterns. We propose FormNet, a structure-aware sequence model to mitigate the suboptimal serialization of forms. First, we design Rich Attention that leverages the spatial relationship between tokens in a form for more precise attention score calculation. Second, we construct Super-Tokens for each word by embedding representations from their neighboring tokens through graph convolutions. FormNet therefore explicitly recovers local syntactic information that may have been lost during serialization. In experiments, FormNet outperforms existing methods with a more compact model size and less pre-training data, establishing new state-of-the-art performance on CORD, FUNSD and Payment benchmarks.

Recursive Neural Networks (RvNNs), which compose sequences according to their underlying hierarchical syntactic structure, have performed well in several natural language processing tasks compared to similar models without structural biases. However, traditional RvNNs are incapable of inducing the latent structure in a plain text sequence on their own. Several extensions have been proposed to overcome this limitation. Nevertheless, these extensions tend to rely on surrogate gradients or reinforcement learning at the cost of higher bias or variance. In this work, we propose Continuous Recursive Neural Network (CRvNN) as a backpropagation-friendly alternative to address the aforementioned limitations. This is done by incorporating a continuous relaxation to the induced structure. We demonstrate that CRvNN achieves strong performance in challenging synthetic tasks such as logical inference and ListOps. We also show that CRvNN performs comparably or better than prior latent structure models on real-world tasks such as sentiment analysis and natural language inference.

Autoregressive music generation depends strongly on the audio tokenizer. Existing high-fidelity codecs often use residual multi-codebook quantization, which preserves reconstruction quality but complicates language modeling after sequence flattening, as the residual hierarchy imposes strong sequential dependencies and can amplify error accumulation. We propose BandTok, a generation-oriented 2D Mel-spectrogram tokenizer that represents each frame with Mel-frequency band tokens from a single shared codebook. This design yields a physically interpretable time-frequency token grid with a more independent token structure, making it better suited for autoregressive modeling. BandTok improves reconstruction with a multi-scale PatchGAN objective and EMA codebook updates. We further introduce an autoregressive language model with 2D Rotary Position Embedding (2D RoPE) to preserve temporal and frequency-band structure during generation. Experiments show that BandTok improves over residual-codebook tokenizers and achieves strong results in a data-limited setting. The source code and generation demos for this work are publicly available.

Humans abstract experiences into structured representations to facilitate pattern inference and knowledge transfer. While the hippocampal-entorhinal (HPC-MEC) circuit is known to represent both spatial and conceptual spaces, the mechanisms for concurrently extracting abstract structures from continuous, high-dimensional dynamics remain poorly understood. We propose a brain-inspired hierarchical model that simultaneously infers latent transitions and constructs a predictive visual world model. Our architecture employs an inverse model for structural extraction alongside an HPC-MEC coupling model that dissociates relational structures (MEC) from integrated episodic scenes (HPC). Using primitive transformation dynamics as a benchmark, we demonstrate the model's capacity for structural abstraction. By leveraging velocity-driven path integration, the framework enables robust prediction and structural reuse across diverse contexts, thereby achieving structural generalization. This work provides a novel computational framework for understanding how brain-inspired, self-supervised learning of world models facilitates the acquisition of reusable abstract knowledge.

World models have recently re-emerged as a central paradigm for embodied intelligence, robotics, autonomous driving, and model-based reinforcement learning. However, current world model research is often dominated by three partially separated routes: 2D video-generative models that emphasize visual future synthesis, 3D scene-centric models that emphasize spatial reconstruction, and JEPA-like latent models that emphasize abstract predictive representations. While each route has made important progress, they still struggle to provide physically reliable, action-controllable, and long-horizon stable predictions for embodied decision making. In this paper, we argue that the bottleneck of world models is no longer only whether they can generate realistic futures, but whether those futures are physically meaningful and useful for action. We propose Hamiltonian World Models as a physically grounded perspective on world modeling. The key idea is to encode observations into a structured latent phase space, evolve the latent state through Hamiltonian-inspired dynamics with control, dissipation, and residual terms, decode the predicted trajectory into future observations, and use the resulting rollouts for planning. We discuss how Hamiltonian structure may improve interpretability, data efficiency, and long-horizon stability, while also noting practical challenges in real-world robotic scenes involving friction, contact, non-conservative forces, and deformable objects.

We present Connection-Aware Motif Sequencing (CamS), a graph-to-sequence representation that enables decoder-only Transformers to learn molecular graphs via standard next-token prediction (NTP). For molecular property prediction, SMILES-based NTP scales well but lacks explicit topology, whereas graph-native masked modeling captures connectivity but risks disrupting the pivotal chemical details (e.g., activity cliffs). CamS bridges this gap by serializing molecular graphs into structure-rich causal sequences. CamS first mines data-driven connection-aware motifs. It then serializes motifs via scaffold-rooted breadth-first search (BFS) to establish a stable core-to-periphery order. Crucially, CamS enables hierarchical modeling by concatenating sequences from fine to coarse motif scales, allowing the model to condition global scaffolds on dense, uncorrupted local structural evidence. We instantiate CamS-LLaMA by pre-training a vanilla LLaMA backbone on CamS sequences. It achieves state-of-the-art performance on MoleculeNet and the activity-cliff benchmark MoleculeACE, outperforming both SMILES-based language models and strong graph baselines. Interpretability analysis confirms that our multi-scale causal serialization effectively drives attention toward cliff-determining differences.

Understanding the various properties of glycans with machine learning has shown some preliminary promise. However, previous methods mainly focused on modeling the backbone structure of glycans as graphs of monosaccharides (i.e., sugar units), while they neglected the atomic structures underlying each monosaccharide, which are actually important indicators of glycan properties. We fill this blank by introducing the GlycanAA model for All-Atom-wise Glycan modeling. GlycanAA models a glycan as a heterogeneous graph with monosaccharide nodes representing its global backbone structure and atom nodes representing its local atomic-level structures. Based on such a graph, GlycanAA performs hierarchical message passing to capture from local atomic-level interactions to global monosaccharide-level interactions. To further enhance model capability, we pre-train GlycanAA on a high-quality unlabeled glycan dataset, deriving the PreGlycanAA model. We design a multi-scale mask prediction algorithm to endow the model about different levels of dependencies in a glycan. Extensive benchmark results show the superiority of GlycanAA over existing glycan encoders and verify the further improvements achieved by PreGlycanAA. We maintain all resources at https://github.com/kasawa1234/GlycanAA

We consider the problem of predicting how the likelihood of an outcome of interest for a patient changes over time as we observe more of the patient data. To solve this problem, we propose a supervised contrastive learning framework that learns an embedding representation for each time step of a patient time series. Our framework learns the embedding space to have the following properties: (1) nearby points in the embedding space have similar predicted class probabilities, (2) adjacent time steps of the same time series map to nearby points in the embedding space, and (3) time steps with very different raw feature vectors map to far apart regions of the embedding space. To achieve property (3), we employ a nearest neighbor pairing mechanism in the raw feature space. This mechanism also serves as an alternative to data augmentation, a key ingredient of contrastive learning, which lacks a standard procedure that is adequately realistic for clinical tabular data, to our knowledge. We demonstrate that our approach outperforms state-of-the-art baselines in predicting mortality of septic patients (MIMIC-III dataset) and tracking progression of cognitive impairment (ADNI dataset). Our method also consistently recovers the correct synthetic dataset embedding structure across experiments, a feat not achieved by baselines. Our ablation experiments show the pivotal role of our nearest neighbor pairing.

AnalogVNN, a simulation framework built on PyTorch which can simulate the effects of optoelectronic noise, limited precision, and signal normalization present in photonic neural network accelerators. We use this framework to train and optimize linear and convolutional neural networks with up to 9 layers and ~1.7 million parameters, while gaining insights into how normalization, activation function, reduced precision, and noise influence accuracy in analog photonic neural networks. By following the same layer structure design present in PyTorch, the AnalogVNN framework allows users to convert most digital neural network models to their analog counterparts with just a few lines of code, taking full advantage of the open-source optimization, deep learning, and GPU acceleration libraries available through PyTorch. Code is available at https://analogvnn.github.io

Since fake news poses a serious threat to society and individuals, numerous studies have been brought by considering text, propagation and user profiles. Due to the data collection problem, these methods based on propagation and user profiles are less applicable in the early stages. A good alternative method is to detect news based on text as soon as they are released, and a lot of text-based methods were proposed, which usually utilized words, sentences or paragraphs as basic units. But, word is a too fine-grained unit to express coherent information well, sentence or paragraph is too coarse to show specific information. Which granularity is better and how to utilize it to enhance text representation for fake news detection are two key problems. In this paper, we introduce Elementary Discourse Unit (EDU) whose granularity is between word and sentence, and propose a multi-EDU-structure awareness model to improve text representation for fake news detection, namely EDU4FD. For the multi-EDU-structure awareness, we build the sequence-based EDU representations and the graph-based EDU representations. The former is gotten by modeling the coherence between consecutive EDUs with TextCNN that reflect the semantic coherence. For the latter, we first extract rhetorical relations to build the EDU dependency graph, which can show the global narrative logic and help deliver the main idea truthfully. Then a Relation Graph Attention Network (RGAT) is set to get the graph-based EDU representation. Finally, the two EDU representations are incorporated as the enhanced text representation for fake news detection, using a gated recursive unit combined with a global attention mechanism. Experiments on four cross-source fake news datasets show that our model outperforms the state-of-the-art text-based methods.

Modern language models can generate high-quality short texts. However, they often meander or are incoherent when generating longer texts. These issues arise from the next-token-only language modeling objective. Recent work in self-supervised learning suggests that models can learn good latent representations via contrastive learning, which can be effective for discriminative tasks. Our work analyzes the application of contrastive representations for generative tasks, like long text generation. We propose one approach for leveraging constrastive representations, which we call Time Control (TC). TC first learns a contrastive representation of the target text domain, then generates text by decoding from these representations. Compared to domain-specific methods and fine-tuning GPT2 across a variety of text domains, TC performs competitively to methods specific for learning sentence representations on discourse coherence. On long text generation settings, TC preserves the text structure both in terms of ordering (up to +15% better) and text length consistency (up to +90% better).

Understanding tables is an important aspect of natural language understanding. Existing models for table understanding require linearization of the table structure, where row or column order is encoded as an unwanted bias. Such spurious biases make the model vulnerable to row and column order perturbations. Additionally, prior work has not thoroughly modeled the table structures or table-text alignments, hindering the table-text understanding ability. In this work, we propose a robust and structurally aware table-text encoding architecture TableFormer, where tabular structural biases are incorporated completely through learnable attention biases. TableFormer is (1) strictly invariant to row and column orders, and, (2) could understand tables better due to its tabular inductive biases. Our evaluations showed that TableFormer outperforms strong baselines in all settings on SQA, WTQ and TabFact table reasoning datasets, and achieves state-of-the-art performance on SQA, especially when facing answer-invariant row and column order perturbations (6% improvement over the best baseline), because previous SOTA models' performance drops by 4% - 6% when facing such perturbations while TableFormer is not affected.

Enhancing the visibility in extreme low-light environments is a challenging task. Under nearly lightless condition, existing image denoising methods could easily break down due to significantly low SNR. In this paper, we systematically study the noise statistics in the imaging pipeline of CMOS photosensors, and formulate a comprehensive noise model that can accurately characterize the real noise structures. Our novel model considers the noise sources caused by digital camera electronics which are largely overlooked by existing methods yet have significant influence on raw measurement in the dark. It provides a way to decouple the intricate noise structure into different statistical distributions with physical interpretations. Moreover, our noise model can be used to synthesize realistic training data for learning-based low-light denoising algorithms. In this regard, although promising results have been shown recently with deep convolutional neural networks, the success heavily depends on abundant noisy clean image pairs for training, which are tremendously difficult to obtain in practice. Generalizing their trained models to images from new devices is also problematic. Extensive experiments on multiple low-light denoising datasets -- including a newly collected one in this work covering various devices -- show that a deep neural network trained with our proposed noise formation model can reach surprisingly-high accuracy. The results are on par with or sometimes even outperform training with paired real data, opening a new door to real-world extreme low-light photography.

Statistical channel models are instrumental to design and evaluate wireless communication systems. In the millimeter wave bands, such models become acutely challenging; they must capture the delay, directions, and path gains, for each link and with high resolution. This paper presents a general modeling methodology based on training generative neural networks from data. The proposed generative model consists of a two-stage structure that first predicts the state of each link (line-of-sight, non-line-of-sight, or outage), and subsequently feeds this state into a conditional variational autoencoder that generates the path losses, delays, and angles of arrival and departure for all its propagation paths. Importantly, minimal prior assumptions are made, enabling the model to capture complex relationships within the data. The methodology is demonstrated for 28GHz air-to-ground channels in an urban environment, with training datasets produced by means of ray tracing.

The peculiar velocities of biased tracers of the cosmic density field contain important information about the growth of large scale structure and generate anisotropy in the observed clustering of galaxies. Using N-body data, we show that velocity expansions for halo redshift-space power spectra are converged at the percent-level at perturbative scales for most line-of-sight angles mu when the first three pairwise velocity moments are included, and that the third moment is well-approximated by a counterterm-like contribution. We compute these pairwise-velocity statistics in Fourier space using both Eulerian and Lagrangian one-loop perturbation theory using a cubic bias scheme and a complete set of counterterms and stochastic contributions. We compare the models and show that our models fit both real-space velocity statistics and redshift-space power spectra for both halos and a mock sample of galaxies at sub-percent level on perturbative scales using consistent sets of parameters, making them appealing choices for the upcoming era of spectroscopic, peculiar-velocity and kSZ surveys.

A great number of deep learning based models have been recently proposed for automatic music composition. Among these models, the Transformer stands out as a prominent approach for generating expressive classical piano performance with a coherent structure of up to one minute. The model is powerful in that it learns abstractions of data on its own, without much human-imposed domain knowledge or constraints. In contrast with this general approach, this paper shows that Transformers can do even better for music modeling, when we improve the way a musical score is converted into the data fed to a Transformer model. In particular, we seek to impose a metrical structure in the input data, so that Transformers can be more easily aware of the beat-bar-phrase hierarchical structure in music. The new data representation maintains the flexibility of local tempo changes, and provides hurdles to control the rhythmic and harmonic structure of music. With this approach, we build a Pop Music Transformer that composes Pop piano music with better rhythmic structure than existing Transformer models.

Deep neural networks (DNNs) are powerful machine learning models and have succeeded in various artificial intelligence tasks. Although various architectures and modules for the DNNs have been proposed, selecting and designing the appropriate network structure for a target problem is a challenging task. In this paper, we propose a method to simultaneously optimize the network structure and weight parameters during neural network training. We consider a probability distribution that generates network structures, and optimize the parameters of the distribution instead of directly optimizing the network structure. The proposed method can apply to the various network structure optimization problems under the same framework. We apply the proposed method to several structure optimization problems such as selection of layers, selection of unit types, and selection of connections using the MNIST, CIFAR-10, and CIFAR-100 datasets. The experimental results show that the proposed method can find the appropriate and competitive network structures.

We introduce Bayesian Poisson Tucker decomposition (BPTD) for modeling country--country interaction event data. These data consist of interaction events of the form "country i took action a toward country j at time t." BPTD discovers overlapping country--community memberships, including the number of latent communities. In addition, it discovers directed community--community interaction networks that are specific to "topics" of action types and temporal "regimes." We show that BPTD yields an efficient MCMC inference algorithm and achieves better predictive performance than related models. We also demonstrate that it discovers interpretable latent structure that agrees with our knowledge of international relations.