Daily Papers

Sparsity in Deep Neural Networks (DNNs) has been widely studied to compress and accelerate the models on resource-constrained environments. It can be generally categorized into unstructured fine-grained sparsity that zeroes out multiple individual weights distributed across the neural network, and structured coarse-grained sparsity which prunes blocks of sub-networks of a neural network. Fine-grained sparsity can achieve a high compression ratio but is not hardware friendly and hence receives limited speed gains. On the other hand, coarse-grained sparsity cannot concurrently achieve both apparent acceleration on modern GPUs and decent performance. In this paper, we are the first to study training from scratch an N:M fine-grained structured sparse network, which can maintain the advantages of both unstructured fine-grained sparsity and structured coarse-grained sparsity simultaneously on specifically designed GPUs. Specifically, a 2:4 sparse network could achieve 2x speed-up without performance drop on Nvidia A100 GPUs. Furthermore, we propose a novel and effective ingredient, sparse-refined straight-through estimator (SR-STE), to alleviate the negative influence of the approximated gradients computed by vanilla STE during optimization. We also define a metric, Sparse Architecture Divergence (SAD), to measure the sparse network's topology change during the training process. Finally, We justify SR-STE's advantages with SAD and demonstrate the effectiveness of SR-STE by performing comprehensive experiments on various tasks. Source codes and models are available at https://github.com/NM-sparsity/NM-sparsity.

A tight and consistent link between resolutions is crucial to further expand the impact of multiscale modeling for complex materials. We herein tackle the generation of condensed molecular structures as a refinement -- backmapping -- of a coarse-grained structure. Traditional schemes start from a rough coarse-to-fine mapping and perform further energy minimization and molecular dynamics simulations to equilibrate the system. In this study we introduce DeepBackmap: A deep neural network based approach to directly predict equilibrated molecular structures for condensed-phase systems. We use generative adversarial networks to learn the Boltzmann distribution from training data and realize reverse mapping by using the coarse-grained structure as a conditional input. We apply our method to a challenging condensed-phase polymeric system. We observe that the model trained in a melt has remarkable transferability to the crystalline phase. The combination of data-driven and physics-based aspects of our architecture help reach temperature transferability with only limited training data.

Chain of thought reasoning has demonstrated remarkable success in large language models, yet its adaptation to vision-language reasoning remains an open challenge with unclear best practices. Existing attempts typically employ reasoning chains at a coarse-grained level, which struggles to perform fine-grained structured reasoning and, more importantly, are difficult to evaluate the reward and quality of intermediate reasoning. In this work, we delve into chain of step reasoning for vision-language models, enabling assessing reasoning step quality accurately and leading to effective reinforcement learning and inference-time scaling with fine-grained rewards. We present a simple, effective, and fully transparent framework, including the step-level reasoning data, process reward model (PRM), and reinforcement learning training. With the proposed approaches, our models set strong baselines with consistent improvements on challenging vision-language benchmarks. More importantly, we conduct a thorough empirical analysis and ablation study, unveiling the impact of each component and several intriguing properties of inference-time scaling. We believe this paper serves as a baseline for vision-language models and offers insights into more complex multimodal reasoning. Our dataset, PRM, and code will be available at https://github.com/baaivision/CoS.

Structured pruning fundamentally reduces computational and memory overheads of large language models (LLMs) and offers a feasible solution for end-side LLM deployment. Structurally pruned models remain dense and high-precision, highly compatible with further tuning and compression. However, as the coarse-grained structured pruning poses large damage to the highly interconnected model, achieving a high compression ratio for scaled-up LLMs remains a challenge. In this paper, we introduce a task-agnostic structured pruning approach coupled with a compact Transformer architecture design. The proposed approach, named TransAct, reduces transitional activations inside multi-head attention (MHA) and multi-layer perceptron (MLP) modules, while preserving the inter-module activations that are sensitive to perturbations. Hence, the LLM is pruned into an intra-module low-rank architecture, significantly reducing weights, KV Cache and attention computation. TransAct is implemented on the LLaMA model and evaluated on downstream benchmarks. Results verify the optimality of our approach at high compression with respect to both efficiency and performance. Further, ablation studies reveal the strength of activation-guided iterative pruning and provide experimental analysis on the redundancy of MHA and MLP modules.

Video topic segmentation unveils the coarse-grained semantic structure underlying videos and is essential for other video understanding tasks. Given the recent surge in multi-modal, relying solely on a single modality is arguably insufficient. On the other hand, prior solutions for similar tasks like video scene/shot segmentation cater to short videos with clear visual shifts but falter for long videos with subtle changes, such as livestreams. In this paper, we introduce a multi-modal video topic segmenter that utilizes both video transcripts and frames, bolstered by a cross-modal attention mechanism. Furthermore, we propose a dual-contrastive learning framework adhering to the unsupervised domain adaptation paradigm, enhancing our model's adaptability to longer, more semantically complex videos. Experiments on short and long video corpora demonstrate that our proposed solution, significantly surpasses baseline methods in terms of both accuracy and transferability, in both intra- and cross-domain settings.

Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modular nature has enabled the use of template-based methods to generate hypothetical MOFs by combining molecular building blocks in accordance with known network topologies. However, the ability of these methods to identify top-performing MOFs is often hindered by the limited diversity of the resulting chemical space. In this work, we propose MOFDiff: a coarse-grained (CG) diffusion model that generates CG MOF structures through a denoising diffusion process over the coordinates and identities of the building blocks. The all-atom MOF structure is then determined through a novel assembly algorithm. Equivariant graph neural networks are used for the diffusion model to respect the permutational and roto-translational symmetries. We comprehensively evaluate our model's capability to generate valid and novel MOF structures and its effectiveness in designing outstanding MOF materials for carbon capture applications with molecular simulations.

In this work, we present a method to generate a configurational level fingerprint for polymers using the Bead-Spring-Model. Unlike some of the previous fingerprinting approaches that employ monomer-level information where atomistic descriptors are computed using quantum chemistry calculations, this approach incorporates configurational information from a coarse-grained model of a long polymer chain. The proposed approach may be advantageous for the study of behavior resulting from large molecular weights. To create this fingerprint, we make use of two kinds of descriptors. First, we calculate certain geometric descriptors like Re2, Rg2 etc. and label them as Calculated Descriptors. Second, we generate a set of data-driven descriptors using an unsupervised autoencoder model and call them Learnt Descriptors. Using a combination of both of them, we are able to learn mappings from the structure to various properties of the polymer chain by training ML models. We test our fingerprint to predict the probability of occurrence of a configuration at equilibrium, which is approximated by a simple linear relationship between the instantaneous internal energy and equilibrium average internal energy.

The colossal parameters and computational overhead of Large Language Models (LLMs) challenge their real-world applications. Network pruning, which targets unstructured or structured sparsity by removing redundant parameters, has recently been explored for LLM acceleration. Existing LLM pruning works focus on unstructured pruning, which typically requires special hardware support for a practical speed-up. In contrast, structured pruning can reduce latency on general devices. However, it remains a challenge to perform structured pruning efficiently and maintain performance, especially at high sparsity ratios. To this end, we introduce an efficient structured pruning framework named CFSP, which leverages both Coarse (interblock) and Fine-grained (intrablock) activation information as an importance criterion to guide pruning. The pruning is highly efficient, as it only requires one forward pass to compute feature activations. Specifically, we first allocate the sparsity budget across blocks based on their importance and then retain important weights within each block. In addition, we introduce a recovery fine-tuning strategy that adaptively allocates training overhead based on coarse-grained importance to further improve performance. Experimental results demonstrate that CFSP outperforms existing methods on diverse models across various sparsity budgets. Our code will be available at https://github.com/wyxscir/CFSP.

Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While machine learning (ML) has produced accurate and efficient CG simulations of proteins, fast and reliable backmapping remains a challenge. Rule-based methods produce poor all-atom geometries, needing computationally costly refinement through additional simulations. Recently proposed ML approaches outperform traditional baselines but are not transferable between proteins and sometimes generate unphysical atom placements with steric clashes and implausible torsion angles. This work addresses both issues to build a fast, transferable, and reliable generative backmapping tool for CG protein representations. We achieve generalization and reliability through a combined set of innovations: representation based on internal coordinates; an equivariant encoder/prior; a custom loss function that helps ensure local structure, global structure, and physical constraints; and expert curation of high-quality out-of-equilibrium protein data for training. Our results pave the way for out-of-the-box backmapping of coarse-grained simulations for arbitrary proteins.

The growing size of neural language models has led to increased attention in model compression. The two predominant approaches are pruning, which gradually removes weights from a pre-trained model, and distillation, which trains a smaller compact model to match a larger one. Pruning methods can significantly reduce the model size but hardly achieve large speedups as distillation. However, distillation methods require large amounts of unlabeled data and are expensive to train. In this work, we propose a task-specific structured pruning method CoFi (Coarse- and Fine-grained Pruning), which delivers highly parallelizable subnetworks and matches the distillation methods in both accuracy and latency, without resorting to any unlabeled data. Our key insight is to jointly prune coarse-grained (e.g., layers) and fine-grained (e.g., heads and hidden units) modules, which controls the pruning decision of each parameter with masks of different granularity. We also devise a layerwise distillation strategy to transfer knowledge from unpruned to pruned models during optimization. Our experiments on GLUE and SQuAD datasets show that CoFi yields models with over 10x speedups with a small accuracy drop, showing its effectiveness and efficiency compared to previous pruning and distillation approaches.

Precise lesion resection depends on accurately identifying fine-grained anatomical structures. While many coarse-grained segmentation (CGS) methods have been successful in large-scale segmentation (e.g., organs), they fall short in clinical scenarios requiring fine-grained segmentation (FGS), which remains challenging due to frequent individual variations in small-scale anatomical structures. Although recent Mamba-based models have advanced medical image segmentation, they often rely on fixed manually-defined scanning orders, which limit their adaptability to individual variations in FGS. To address this, we propose ASM-UNet, a novel Mamba-based architecture for FGS. It introduces adaptive scan scores to dynamically guide the scanning order, generated by combining group-level commonalities and individual-level variations. Experiments on two public datasets (ACDC and Synapse) and a newly proposed challenging biliary tract FGS dataset, namely BTMS, demonstrate that ASM-UNet achieves superior performance in both CGS and FGS tasks. Our code and dataset are available at https://github.com/YqunYang/ASM-UNet.

Storytelling video generation (SVG) has recently emerged as a task to create long, multi-motion, multi-scene videos that consistently represent the story described in the input text script. SVG holds great potential for diverse content creation in media and entertainment; however, it also presents significant challenges: (1) objects must exhibit a range of fine-grained, complex motions, (2) multiple objects need to appear consistently across scenes, and (3) subjects may require multiple motions with seamless transitions within a single scene. To address these challenges, we propose DreamRunner, a novel story-to-video generation method: First, we structure the input script using a large language model (LLM) to facilitate both coarse-grained scene planning as well as fine-grained object-level layout and motion planning. Next, DreamRunner presents retrieval-augmented test-time adaptation to capture target motion priors for objects in each scene, supporting diverse motion customization based on retrieved videos, thus facilitating the generation of new videos with complex, scripted motions. Lastly, we propose a novel spatial-temporal region-based 3D attention and prior injection module SR3AI for fine-grained object-motion binding and frame-by-frame semantic control. We compare DreamRunner with various SVG baselines, demonstrating state-of-the-art performance in character consistency, text alignment, and smooth transitions. Additionally, DreamRunner exhibits strong fine-grained condition-following ability in compositional text-to-video generation, significantly outperforming baselines on T2V-ComBench. Finally, we validate DreamRunner's robust ability to generate multi-object interactions with qualitative examples.

Deep generative models have shown promise for modeling metal-organic frameworks (MOFs), but existing approaches (1) rely on coarse-grained representations that assume fixed bond lengths and angles, and (2) neglect the MOF-adsorbate interactions, which are critical for downstream applications. We introduce AtomMOF, a scalable flow-based model built on an all-atom Diffusion Transformer that maps 2D molecular graphs of building blocks and adsorbates directly to equilibrium 3D structures without imposing structural constraints. We further present scaling laws for porous crystal generation, indicating predictable performance gains with increased model capacity, and introduce Feynman-Kac steering guided by machine-learned interatomic potentials to improve geometric validity and sampling stability. On the (MOF-only) BW dataset, AtomMOF increases the match rate by 35.00% and reduces RMSD by 32.64%. On the ODAC25 dataset (MOF-adsorbate), AtomMOF is substantially more sample-efficient than grand canonical Monte Carlo in recovering adsorption configurations and can identify candidates with lower adsorption energies than the reference dataset. Code is available at https://github.com/nayoung10/AtomMOF.

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

Large language models (LLM) often hallucinate, and while adding citations is a common solution, it is frequently insufficient for accountability as users struggle to verify how a cited source supports a generated claim. Existing methods are typically coarse-grained and fail to distinguish between direct quotes and complex reasoning. In this paper, we introduce Generation-time Fine-grained Provenance, a task where models must generate fluent answers while simultaneously producing structured, sentence-level provenance triples. To enable this, we present ReFInE (Relation-aware Fine-grained Interpretability & Evidence), a dataset featuring expert verified annotations that distinguish between Quotation, Compression, and Inference. Building on ReFInE, we propose GenProve, a framework that combines Supervised Fine-Tuning (SFT) with Group Relative Policy Optimization (GRPO). By optimizing a composite reward for answer fidelity and provenance correctness, GenProve significantly outperforms 14 strong LLMs in joint evaluation. Crucially, our analysis uncovers a reasoning gap where models excel at surface-level quotation but struggle significantly with inference-based provenance, suggesting that verifiable reasoning remains a frontier challenge distinct from surface-level citation.

The Platonic Representation Hypothesis suggests that neural networks trained on different modalities (e.g., text and images) align and eventually converge toward the same representation of reality. If true, this has significant implications for whether modality choice matters at all. We show that the experimental evidence for this hypothesis is fragile and depends critically on the evaluation regime. Alignment is measured using mutual nearest neighbors on small datasets (approx1K samples) and degrades substantially as the dataset is scaled to millions of samples. The alignment that remains between model representations reflects coarse semantic overlap rather than consistent fine-grained structure. Moreover, the evaluations in Huh et al. are done in a one-to-one image-caption setting, a constraint that breaks down in realistic many-to-many settings and further reduces alignment. We also find that the reported trend of stronger language models increasingly aligning with vision does not appear to hold for newer models. Overall, our findings suggest that the current evidence for cross-modal representational convergence is considerably weaker than subsequent works have taken it to be. Models trained on different modalities may learn equally rich representations of the world, just not the same one.

Partition logics -- non-Boolean event structures obtained by pasting Boolean algebras -- provide a natural language for situations in which a system has a definite latent state but can be accessed and resolved only through mutually incompatible coarse-grained modes of observation. We show that this structure arises in a range of social-science settings by constructing six explicit examples from personnel assessment, survey framing, clinical diagnosis, espionage coordination, legal pluralism, and organizational auditing. For each case we identify the latent state space, the observational contexts as partitions, and the shared atoms that intertwine contexts, yielding instances of the L_{12} bowtie, triangle, pentagon, and automaton partition logics. These examples make precise a notion of social complementarity: different modes of inquiry can be incompatible even though the underlying system remains fully value-definite. Complementarity in this sense does not entail contextuality or ontic indeterminacy. We further compare the classical probabilities generated by convex mixtures of dispersion-free states with the quantum-like Born probabilities available when the same exclusivity graph admits a faithful orthogonal representation. The framework thus separates logical structure from probabilistic realization and suggests empirically testable benchmarks for quantum-cognition models.

Target-guided open-domain conversation aims to proactively and naturally guide a dialogue agent or human to achieve specific goals, topics or keywords during open-ended conversations. Existing methods mainly rely on single-turn datadriven learning and simple target-guided strategy without considering semantic or factual knowledge relations among candidate topics/keywords. This results in poor transition smoothness and low success rate. In this work, we adopt a structured approach that controls the intended content of system responses by introducing coarse-grained keywords, attains smooth conversation transition through turn-level supervised learning and knowledge relations between candidate keywords, and drives an conversation towards an specified target with discourse-level guiding strategy. Specially, we propose a novel dynamic knowledge routing network (DKRN) which considers semantic knowledge relations among candidate keywords for accurate next topic prediction of next discourse. With the help of more accurate keyword prediction, our keyword-augmented response retrieval module can achieve better retrieval performance and more meaningful conversations. Besides, we also propose a novel dual discourse-level target-guided strategy to guide conversations to reach their goals smoothly with higher success rate. Furthermore, to push the research boundary of target-guided open-domain conversation to match real-world scenarios better, we introduce a new large-scale Chinese target-guided open-domain conversation dataset (more than 900K conversations) crawled from Sina Weibo. Quantitative and human evaluations show our method can produce meaningful and effective target-guided conversations, significantly improving over other state-of-the-art methods by more than 20% in success rate and more than 0.6 in average smoothness score.

By reducing resolution, coarse-grained models greatly accelerate molecular simulations, unlocking access to long-timescale phenomena, though at the expense of microscopic information. Recovering this fine-grained detail is essential for tasks that depend on atomistic accuracy, making backmapping a central challenge in molecular modeling. We introduce split-flows, a novel flow-based approach that reinterprets backmapping as a continuous-time measure transport across resolutions. Unlike existing generative strategies, split-flows establish a direct probabilistic link between resolutions, enabling expressive conditional sampling of atomistic structures and -- for the first time -- a tractable route to computing mapping entropies, an information-theoretic measure of the irreducible detail lost in coarse-graining. We demonstrate these capabilities on diverse molecular systems, including chignolin, a lipid bilayer, and alanine dipeptide, highlighting split-flows as a principled framework for accurate backmapping and systematic evaluation of coarse-grained models.

Generative Sequential Recommendation (GSR) has emerged as a promising paradigm, reframing recommendation as an autoregressive sequence generation task over discrete Semantic IDs (SIDs), typically derived via codebook-based quantization. Despite its great potential in unifying retrieval and ranking, existing GSR frameworks still face two critical limitations: (1) impure and unstable semantic tokenization, where quantization methods struggle with interaction noise and codebook collapse, resulting in SIDs with ambiguous discrimination; and (2) lossy and weakly structured generation, where reliance solely on coarse-grained discrete tokens inevitably introduces information loss and neglects items' hierarchical logic. To address these issues, we propose a novel generative recommendation framework, PRISM, with Purified Representation and Integrated Semantic Modeling. Specifically, to ensure high-quality tokenization, we design a Purified Semantic Quantizer that constructs a robust codebook via adaptive collaborative denoising and hierarchical semantic anchoring mechanisms. To compensate for information loss during quantization, we further propose an Integrated Semantic Recommender, which incorporates a dynamic semantic integration mechanism to integrate fine-grained semantics and enforces logical validity through a semantic structure alignment objective. PRISM consistently outperforms state-of-the-art baselines across four real-world datasets, demonstrating substantial performance gains, particularly in high-sparsity scenarios.

Recent image editing models have achieved remarkable progress in instruction following, multimodal understanding, and complex visual editing. However, existing benchmarks often fail to faithfully reflect human judgment, especially for strong frontier models, due to limited task difficulty and coarse-grained evaluation protocols. In parallel, reward models have become increasingly important for RL-based image editing optimization, yet existing reward model benchmarks still rely on unrealistic evaluation settings that deviate from practical RL scenarios. These limitations hinder reliable assessment of both image editing models and reward models. To address these challenges, we introduce Edit-Compass and EditReward-Compass, a unified evaluation suite for image editing and reward modeling. Edit-Compass contains 2,388 carefully annotated instances spanning six progressively challenging task categories, covering capabilities such as world knowledge reasoning, visual reasoning, and multi-image editing. Beyond broad task coverage, Edit-Compass adopts a fine-grained multidimensional evaluation framework based on structured reasoning and carefully designed scoring rubrics. In parallel, EditReward-Compass contains 2,251 preference pairs that simulate realistic reward modeling scenarios during RL optimization.

Different medical imaging modalities capture diagnostic information at varying spatial resolutions, from coarse global patterns to fine-grained localized structures. However, most existing vision-language frameworks in the medical domain apply a uniform strategy for local feature extraction, overlooking the modality-specific demands. In this work, we present MedMoE, a modular and extensible vision-language processing framework that dynamically adapts visual representation based on the diagnostic context. MedMoE incorporates a Mixture-of-Experts (MoE) module conditioned on the report type, which routes multi-scale image features through specialized expert branches trained to capture modality-specific visual semantics. These experts operate over feature pyramids derived from a Swin Transformer backbone, enabling spatially adaptive attention to clinically relevant regions. This framework produces localized visual representations aligned with textual descriptions, without requiring modality-specific supervision at inference. Empirical results on diverse medical benchmarks demonstrate that MedMoE improves alignment and retrieval performance across imaging modalities, underscoring the value of modality-specialized visual representations in clinical vision-language systems.

Spatially variant dynamic convolution provides a principled approach of integrating spatial adaptivity into deep neural networks. However, mainstream designs in medical segmentation commonly generate dynamic kernels through average pooling, which implicitly collapses high-frequency spatial details into a coarse, spatially-compressed representation, leading to over-smoothed predictions that degrade the fidelity of fine-grained clinical structures. To address this limitation, we propose a novel Structure-Guided Dynamic Convolution (SGDC) mechanism, which leverages an explicitly supervised structure-extraction branch to guide the generation of dynamic kernels and gating signals for structure-aware feature modulation. Specifically, the high-fidelity boundary information from this auxiliary branch is fused with semantic features to enable spatially-precise feature modulation. By replacing context aggregation with pixel-wise structural guidance, the proposed design effectively prevents the information loss introduced by average pooling. Experimental results show that SGDC achieves state-of-the-art performance on ISIC 2016, PH2, ISIC 2018, and CoNIC datasets, delivering superior boundary fidelity by reducing the Hausdorff Distance (HD95) by 2.05, and providing consistent IoU gains of 0.99\%-1.49\% over pooling-based baselines. Moreover, the mechanism exhibits strong potential for extension to other fine-grained, structure-sensitive vision tasks, such as small-object detection, offering a principled solution for preserving structural integrity in medical image analysis. To facilitate reproducibility and encourage further research, the implementation code for both our SGE and SGDC modules has been is publicly released at https://github.com/solstice0621/SGDC.

Recent advances in video generation have enabled high-fidelity video synthesis from user provided prompts. However, existing models and benchmarks fail to capture the complexity and requirements of professional video generation. Towards that goal, we introduce Stable Cinemetrics, a structured evaluation framework that formalizes filmmaking controls into four disentangled, hierarchical taxonomies: Setup, Event, Lighting, and Camera. Together, these taxonomies define 76 fine-grained control nodes grounded in industry practices. Using these taxonomies, we construct a benchmark of prompts aligned with professional use cases and develop an automated pipeline for prompt categorization and question generation, enabling independent evaluation of each control dimension. We conduct a large-scale human study spanning 10+ models and 20K videos, annotated by a pool of 80+ film professionals. Our analysis, both coarse and fine-grained reveal that even the strongest current models exhibit significant gaps, particularly in Events and Camera-related controls. To enable scalable evaluation, we train an automatic evaluator, a vision-language model aligned with expert annotations that outperforms existing zero-shot baselines. SCINE is the first approach to situate professional video generation within the landscape of video generative models, introducing taxonomies centered around cinematic controls and supporting them with structured evaluation pipelines and detailed analyses to guide future research.

Compound AI systems (CASs) that employ LLMs as agents to accomplish knowledge-intensive tasks via interactions with tools and data retrievers have garnered significant interest within database and AI communities. While these systems have the potential to supplement typical analysis workflows of data analysts in enterprise data platforms, unfortunately, CASs are subject to the same data discovery challenges that analysts have encountered over the years -- silos of multimodal data sources, created across teams and departments within an organization, make it difficult to identify appropriate data sources for accomplishing the task at hand. Existing data discovery benchmarks do not model such multimodality and multiplicity of data sources. Moreover, benchmarks of CASs prioritize only evaluating end-to-end task performance. To catalyze research on evaluating the data discovery performance of multimodal data retrievers in CASs within a real-world setting, we propose CMDBench, a benchmark modeling the complexity of enterprise data platforms. We adapt existing datasets and benchmarks in open-domain -- from question answering and complex reasoning tasks to natural language querying over structured data -- to evaluate coarse- and fine-grained data discovery and task execution performance. Our experiments reveal the impact of data retriever design on downstream task performance -- a 46% drop in task accuracy on average -- across various modalities, data sources, and task difficulty. The results indicate the need to develop optimization strategies to identify appropriate LLM agents and retrievers for efficient execution of CASs over enterprise data.

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.

We present FaceVerse, a fine-grained 3D Neural Face Model, which is built from hybrid East Asian face datasets containing 60K fused RGB-D images and 2K high-fidelity 3D head scan models. A novel coarse-to-fine structure is proposed to take better advantage of our hybrid dataset. In the coarse module, we generate a base parametric model from large-scale RGB-D images, which is able to predict accurate rough 3D face models in different genders, ages, etc. Then in the fine module, a conditional StyleGAN architecture trained with high-fidelity scan models is introduced to enrich elaborate facial geometric and texture details. Note that different from previous methods, our base and detailed modules are both changeable, which enables an innovative application of adjusting both the basic attributes and the facial details of 3D face models. Furthermore, we propose a single-image fitting framework based on differentiable rendering. Rich experiments show that our method outperforms the state-of-the-art methods.

Considering the hardware-friendly characteristics and broad applicability, structured pruning has emerged as an efficient solution to reduce the resource demands of large language models (LLMs) on resource-constrained devices. Traditional structured pruning methods often need fine-tuning to recover performance loss, which incurs high memory overhead and substantial data requirements, rendering them unsuitable for on-device applications. Additionally, post-training structured pruning techniques typically necessitate specific activation functions or architectural modifications, thereby limiting their scope of applications. Herein, we introduce COMP, a lightweight post-training structured pruning method that employs a hybrid-granularity pruning strategy. COMP initially prunes selected model layers based on their importance at a coarse granularity, followed by fine-grained neuron pruning within the dense layers of each remaining model layer. To more accurately evaluate neuron importance, COMP introduces a new matrix condition-based metric. Subsequently, COMP utilizes mask tuning to recover accuracy without the need for fine-tuning, significantly reducing memory consumption. Experimental results demonstrate that COMP improves performance by 6.13\% on the LLaMA-2-7B model with a 20\% pruning ratio compared to LLM-Pruner, while simultaneously reducing memory overhead by 80\%.

Visual tokenizers map high-dimensional raw pixels into a compressed representation for downstream modeling. Beyond compression, tokenizers dictate what information is preserved and how it is organized. A de facto standard approach to video tokenization is to represent a video as a spatiotemporal 3D grid of tokens, each capturing the corresponding local information in the original signal. This requires the downstream model that consumes the tokens, e.g., a text-to-video model, to learn to predict all low-level details "pixel-by-pixel" irrespective of the video's inherent complexity, leading to high learning complexity. We present VideoFlexTok, which represents videos with a variable-length sequence of tokens structured in a coarse-to-fine manner -- where the first tokens (emergently) capture abstract information, such as semantics and motion, and later tokens add fine-grained details. The generative flow decoder enables realistic video reconstructions from any token count. This representation structure allows adapting the token count according to downstream needs and encoding videos longer than the baselines with the same budget. We evaluate VideoFlexTok on class- and text-to-video generative tasks and show that it leads to more efficient training compared to 3D grid tokens, e.g., achieving comparable generation quality (gFVD and ViCLIP Score) with a 5x smaller model (1.1B vs 5.2B). Finally, we demonstrate how VideoFlexTok can enable long video generation without prohibitive computational cost by training a text-to-video model on 10-second 81-frame videos with only 672 tokens, 8x fewer than a comparable 3D grid tokenizer.

Radiology reports convey detailed clinical observations and capture diagnostic reasoning that evolves over time. However, existing evaluation methods are limited to single-report settings and rely on coarse metrics that fail to capture fine-grained clinical semantics and temporal dependencies. We introduce LUNGUAGE,a benchmark dataset for structured radiology report generation that supports both single-report evaluation and longitudinal patient-level assessment across multiple studies. It contains 1,473 annotated chest X-ray reports, each reviewed by experts, and 80 of them contain longitudinal annotations to capture disease progression and inter-study intervals, also reviewed by experts. Using this benchmark, we develop a two-stage framework that transforms generated reports into fine-grained, schema-aligned structured representations, enabling longitudinal interpretation. We also propose LUNGUAGESCORE, an interpretable metric that compares structured outputs at the entity, relation, and attribute level while modeling temporal consistency across patient timelines. These contributions establish the first benchmark dataset, structuring framework, and evaluation metric for sequential radiology reporting, with empirical results demonstrating that LUNGUAGESCORE effectively supports structured report evaluation. The code is available at: https://github.com/SuperSupermoon/Lunguage

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.

Autoregressive models have achieved remarkable success across various domains, yet their performance in 3D shape generation lags significantly behind that of diffusion models. In this paper, we introduce OctGPT, a novel multiscale autoregressive model for 3D shape generation that dramatically improves the efficiency and performance of prior 3D autoregressive approaches, while rivaling or surpassing state-of-the-art diffusion models. Our method employs a serialized octree representation to efficiently capture the hierarchical and spatial structures of 3D shapes. Coarse geometry is encoded via octree structures, while fine-grained details are represented by binary tokens generated using a vector quantized variational autoencoder (VQVAE), transforming 3D shapes into compact multiscale binary sequences suitable for autoregressive prediction. To address the computational challenges of handling long sequences, we incorporate octree-based transformers enhanced with 3D rotary positional encodings, scale-specific embeddings, and token-parallel generation schemes. These innovations reduce training time by 13 folds and generation time by 69 folds, enabling the efficient training of high-resolution 3D shapes, e.g.,1024^3, on just four NVIDIA 4090 GPUs only within days. OctGPT showcases exceptional versatility across various tasks, including text-, sketch-, and image-conditioned generation, as well as scene-level synthesis involving multiple objects. Extensive experiments demonstrate that OctGPT accelerates convergence and improves generation quality over prior autoregressive methods, offering a new paradigm for high-quality, scalable 3D content creation.

Latent Diffusion Models (LDMs) inherently follow a coarse-to-fine generation process, where high-level semantic structure is generated slightly earlier than fine-grained texture. This indicates the preceding semantics potentially benefit texture generation by providing a semantic anchor. Recent advances have integrated semantic priors from pretrained visual encoders to further enhance LDMs, yet they still denoise semantic and VAE-encoded texture synchronously, neglecting such ordering. Observing these, we propose Semantic-First Diffusion (SFD), a latent diffusion paradigm that explicitly prioritizes semantic formation. SFD first constructs composite latents by combining a compact semantic latent, which is extracted from a pretrained visual encoder via a dedicated Semantic VAE, with the texture latent. The core of SFD is to denoise the semantic and texture latents asynchronously using separate noise schedules: semantics precede textures by a temporal offset, providing clearer high-level guidance for texture refinement and enabling natural coarse-to-fine generation. On ImageNet 256x256 with guidance, SFD achieves FID 1.06 (LightningDiT-XL) and FID 1.04 (1.0B LightningDiT-XXL), while achieving up to 100x faster convergence than the original DiT. SFD also improves existing methods like ReDi and VA-VAE, demonstrating the effectiveness of asynchronous, semantics-led modeling. Project page and code: https://yuemingpan.github.io/SFD.github.io/.

Autoregressive point cloud generation has long lagged behind diffusion-based approaches in quality. The performance gap stems from the fact that autoregressive models impose an artificial ordering on inherently unordered point sets, forcing shape generation to proceed as a sequence of local predictions. This sequential bias emphasizes short-range continuity but undermines the model's capacity to capture long-range dependencies, hindering its ability to enforce global structural properties such as symmetry, consistent topology, and large-scale geometric regularities. Inspired by the level-of-detail (LOD) principle in shape modeling, we propose PointNSP, a coarse-to-fine generative framework that preserves global shape structure at low resolutions and progressively refines fine-grained geometry at higher scales through a next-scale prediction paradigm. This multi-scale factorization aligns the autoregressive objective with the permutation-invariant nature of point sets, enabling rich intra-scale interactions while avoiding brittle fixed orderings. Experiments on ShapeNet show that PointNSP establishes state-of-the-art (SOTA) generation quality for the first time within the autoregressive paradigm. In addition, it surpasses strong diffusion-based baselines in parameter, training, and inference efficiency. Finally, in dense generation with 8,192 points, PointNSP's advantages become even more pronounced, underscoring its scalability potential.

End-to-end multi-modal planning has been widely adopted to model the uncertainty of driving behavior, typically by scoring candidate trajectories and selecting the optimal one. Existing approaches generally fall into two categories: scoring a large static trajectory vocabulary, or scoring a small set of dynamically generated proposals. While static vocabularies often suffer from coarse discretization of the action space, dynamic proposals provide finer-grained precision and have shown stronger empirical performance on existing benchmarks. However, it remains unclear whether dynamic generation is fundamentally necessary, or whether static vocabularies can already achieve comparable performance when they are sufficiently dense to cover the action space. In this work, we start with a systematic scaling study of Hydra-MDP, a representative scoring-based method, revealing that performance consistently improves as trajectory anchors become denser, without exhibiting saturation before computational constraints are reached. Motivated by this observation, we propose SparseDriveV2 to push the performance boundary of scoring-based planning through two complementary innovations: (1) a scalable vocabulary representation with a factorized structure that decomposes trajectories into geometric paths and velocity profiles, enabling combinatorial coverage of the action space, and (2) a scalable scoring strategy with coarse factorized scoring over paths and velocity profiles followed by fine-grained scoring on a small set of composed trajectories. By combining these two techniques, SparseDriveV2 achieves 92.0 PDMS and 90.1 EPDMS on NAVSIM, with 89.15 Driving Score and 70.00 Success Rate on Bench2Drive with a lightweight ResNet-34 as backbone. Code and model are released at https://github.com/swc-17/SparseDriveV2.

Named entity disambiguation (NED), which involves mapping textual mentions to structured entities, is particularly challenging in the medical domain due to the presence of rare entities. Existing approaches are limited by the presence of coarse-grained structural resources in biomedical knowledge bases as well as the use of training datasets that provide low coverage over uncommon resources. In this work, we address these issues by proposing a cross-domain data integration method that transfers structural knowledge from a general text knowledge base to the medical domain. We utilize our integration scheme to augment structural resources and generate a large biomedical NED dataset for pretraining. Our pretrained model with injected structural knowledge achieves state-of-the-art performance on two benchmark medical NED datasets: MedMentions and BC5CDR. Furthermore, we improve disambiguation of rare entities by up to 57 accuracy points.

Artificial intelligence has become a crucial tool for medical image analysis. As an advanced cerebral angiography technique, Digital Subtraction Angiography (DSA) poses a challenge where the radiation dose to humans is proportional to the image count. By reducing images and using AI interpolation instead, the radiation can be cut significantly. However, DSA images present more complex motion and structural features than natural scenes, making interpolation more challenging. We propose MoSt-DSA, the first work that uses deep learning for DSA frame interpolation. Unlike natural scene Video Frame Interpolation (VFI) methods that extract unclear or coarse-grained features, we devise a general module that models motion and structural context interactions between frames in an efficient full convolution manner by adjusting optimal context range and transforming contexts into linear functions. Benefiting from this, MoSt-DSA is also the first method that directly achieves any number of interpolations at any time steps with just one forward pass during both training and testing. We conduct extensive comparisons with 7 representative VFI models for interpolating 1 to 3 frames, MoSt-DSA demonstrates robust results across 470 DSA image sequences (each typically 152 images), with average SSIM over 0.93, average PSNR over 38 (standard deviations of less than 0.030 and 3.6, respectively), comprehensively achieving state-of-the-art performance in accuracy, speed, visual effect, and memory usage. Our code is available at https://github.com/ZyoungXu/MoSt-DSA.

Multi-document Multi-entity Question Answering inherently demands models to track implicit logic between multiple entities across scattered documents. However, existing Large Language Models (LLMs) and Retrieval-Augmented Generation (RAG) frameworks suffer from critical limitations: standard RAG's vector similarity-based coarse-grained retrieval often omits critical facts, graph-based RAG fails to efficiently integrate fragmented complex relationship networks, and both lack schema awareness, leading to inadequate cross-document evidence chain construction and inaccurate entity relationship deduction. To address these challenges, we propose DocSage, an end-to-end agentic framework that integrates dynamic schema discovery, structured information extraction, and schema-aware relational reasoning with error guarantees. DocSage operates through three core modules: (1) A schema discovery module dynamically infers query-specific minimal joinable schemas to capture essential entities and relationships; (2) An extraction module transforms unstructured text into semantically coherent relational tables, enhanced by error-aware correction mechanisms to reduce extraction errors; (3) A reasoning module performs multi-hop relational reasoning over structured tables, leveraging schema awareness to efficiently align cross-document entities and aggregate evidence. This agentic design offers three key advantages: precise fact localization via SQL-powered indexing, natural support for cross-document entity joins through relational tables, and mitigated LLM attention diffusion via structured representation. Evaluations on two MDMEQA benchmarks demonstrate that DocSage significantly outperforms state-of-the-art long-context LLMs and RAG systems, achieving more than 27% accuracy improvements respectively.

Log anomaly detection is a critical task for system operations and security assurance. However, in networked systems at scale, log data are generated at massive scale while instance-level annotations are prohibitively expensive, posing great difficulties to fine-grained anomaly localization. To address this challenge, we propose LogMILP (Log anomaly localization based on Multi-Instance Learning enhanced by prototypes and Perturbation), a weakly supervised framework that enables both bag-level anomaly detection and instance-level anomaly localization using only bag-level labels. Our method guides the model to pinpoint the critical log entries using prototype-guided structural modeling with counterfactual perturbation consistency regularization, thereby improving localization reliability and interpretability under coarse-grained supervision. Experimental results on three public datasets demonstrate that LogMILP achieves competitive detection performance while yielding significantly more reliable instance-level localization. Our code is open-sourced at https://github.com/YUK1207/LogMILP.

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

Despite significant advances in large-scale text-to-image models, achieving hyper-realistic human image generation remains a desirable yet unsolved task. Existing models like Stable Diffusion and DALL-E 2 tend to generate human images with incoherent parts or unnatural poses. To tackle these challenges, our key insight is that human image is inherently structural over multiple granularities, from the coarse-level body skeleton to fine-grained spatial geometry. Therefore, capturing such correlations between the explicit appearance and latent structure in one model is essential to generate coherent and natural human images. To this end, we propose a unified framework, HyperHuman, that generates in-the-wild human images of high realism and diverse layouts. Specifically, 1) we first build a large-scale human-centric dataset, named HumanVerse, which consists of 340M images with comprehensive annotations like human pose, depth, and surface normal. 2) Next, we propose a Latent Structural Diffusion Model that simultaneously denoises the depth and surface normal along with the synthesized RGB image. Our model enforces the joint learning of image appearance, spatial relationship, and geometry in a unified network, where each branch in the model complements to each other with both structural awareness and textural richness. 3) Finally, to further boost the visual quality, we propose a Structure-Guided Refiner to compose the predicted conditions for more detailed generation of higher resolution. Extensive experiments demonstrate that our framework yields the state-of-the-art performance, generating hyper-realistic human images under diverse scenarios. Project Page: https://snap-research.github.io/HyperHuman/

Large Language Models(LLMs) have revolutionized text generation and multimodal perception, but their capabilities in 3D content generation remain underexplored. Existing methods compromise by producing either low-resolution meshes or coarse structural proxies, failing to capture fine-grained geometry natively. In this paper, we propose CG-MLLM, a novel Multi-modal Large Language Model (MLLM) capable of 3D captioning and high-resolution 3D generation in a single framework. Leveraging the Mixture-of-Transformer architecture, CG-MLLM decouples disparate modeling needs, where the Token-level Autoregressive (TokenAR) Transformer handles token-level content, and the Block-level Autoregressive (BlockAR) Transformer handles block-level content. By integrating a pre-trained vision-language backbone with a specialized 3D VAE latent space, CG-MLLM facilitates long-context interactions between standard tokens and spatial blocks within a single integrated architecture. Experimental results show that CG-MLLM significantly outperforms existing MLLMs in generating high-fidelity 3D objects, effectively bringing high-resolution 3D content creation into the mainstream LLM paradigm.

Retrieval-augmented generation (RAG) enhances large language models with external knowledge, and tree-based RAG organizes documents into hierarchical indexes to support queries at multiple granularities. However, existing Tree-RAG methods designed for single-document retrieval face critical challenges in scaling to cross-document multi-hop questions: (1) poor distribution adaptability, where k-means clustering introduces noise due to rigid distribution assumptions; (2) structural isolation, as tree indexes lack explicit cross-document connections; and (3) coarse abstraction, which obscures fine-grained details. To address these limitations, we propose Ψ-RAG, a tree-RAG framework with two key components. First, a hierarchical abstract tree index built through an iterative "merging and collapse" process that adapts to data distributions without a priori assumption. Second, a multi-granular retrieval agent that intelligently interacts with the knowledge base with reorganized queries and an agent-powered hybrid retriever. Ψ-RAG supports diverse tasks from token-level question answering to document-level summarization. On cross-document multi-hop QA benchmarks, it outperforms RAPTOR by 25.9% and HippoRAG 2 by 7.4% in average F1 score. Code is available at https://github.com/Newiz430/Psi-RAG.

Machine-learned coarse-grained (CG) models often suffer from noisy training data, limiting their accuracy and transferability. We propose a method to generate low-noise training data based on the potential of mean force by constraining CG beads during atomistic simulations and accumulating time-averaged forces. Implemented within the neuroevolution potential (NEP) framework, our approach achieves training accuracy comparable to atomistic models trained on density functional theory data. For liquid water, the NEP-CG model accurately reproduces densities from 1 bar to 1 GPa, successfully extrapolating beyond the 0.5 GPa training limit, with a virial correction essential for the correct equation of state. For an anisotropic C_{60} monolayer, distinguishing crystallographically distinct bead types reduces stress errors by an order of magnitude and captures directional thermal conductivity. We further introduce a multiscale NEP-AACG model integrating all-atom (AA) and CG degrees of freedom, demonstrated for gold nanowire fracture at an experimentally relevant strain rate. Computational speeds for NEP-CG models reach hundreds to thousands of ns/day using a single consumer-grade GPU. This work provides a robust framework for constructing accurate, transferable, and efficient CG models across diverse systems.

Coarse-grained (CG) molecular models of proteins can substantially increase the time and length scales accessible to molecular dynamics simulations of proteins, but recovery of accurate all-atom (AA) ensembles from CG simulation trajectories can be essential for exposing molecular mechanisms of folding and docking and for calculation of physical properties requiring atomistic detail. The recently reported deep generative model FlowBack restores AA detail to protein C-alpha traces using a flow-matching architecture and demonstrates state-of-the-art performance in generation of AA structural ensembles. Training, however, is performed exclusively on structural data and the absence of any awareness of interatomic energies or forces within training results in small fractions of incorrect bond lengths, atomic clashes, and otherwise high-energy structures. In this work, we introduce FlowBack-Adjoint as a lightweight enhancement that upgrades the pre-trained FlowBack model through a one-time, physics-aware post-training pass. Auxiliary contributions to the flow introduce physical awareness of bond lengths and Lennard-Jones interactions and gradients of a molecular mechanics force field energy are incorporated via adjoint matching to steer the FlowBack-Adjoint vector field to produce lower-energy configurations. In benchmark tests against FlowBack, FlowBack-Adjoint lowers single-point energies by a median of ~78 kcal/mol.residue, reduces errors in bond lengths by >92%, eliminates >98% of molecular clashes, maintains excellent diversity of the AA configurational ensemble, and produces configurations capable of initializing stable all-atom molecular dynamics simulations without requiring energy relaxation. We propose FlowBack-Adjoint as an accurate and efficient physics-aware deep generative model for AA backmapping from C-alpha traces.

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these approaches often optimize robots directly in the vast design space, resulting in robots with complicated morphologies that are hard to control. In response, this paper presents a novel coarse-to-fine method for designing multi-cellular robots. Initially, this strategy seeks optimal coarse-grained robots and progressively refines them. To mitigate the challenge of determining the precise refinement juncture during the coarse-to-fine transition, we introduce the Hyperbolic Embeddings for Robot Design (HERD) framework. HERD unifies robots of various granularity within a shared hyperbolic space and leverages a refined Cross-Entropy Method for optimization. This framework enables our method to autonomously identify areas of exploration in hyperbolic space and concentrate on regions demonstrating promise. Finally, the extensive empirical studies on various challenging tasks sourced from EvoGym show our approach's superior efficiency and generalization capability.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

We study the emergence of multi-step reasoning in deep Transformer language models through a geometric and statistical-physics lens. Treating the hidden-state trajectory as a flow on an implicit Riemannian manifold, we analyze the layerwise covariance spectrum of activations, where C^{(ell)}=E[h^{(ell)}h^{(ell)top}], and track deviations from a random-matrix bulk. Across model scales (1.5B--30B), we observe a sharp reduction in effective dimensionality consistent with a phase transition: an order parameter based on sparsity/localization, Ω(h)=1-|h|_1/(d|h|_2), exhibits a discontinuity near a critical normalized depth γ_capprox 0.42 in sufficiently large models. We formalize the forward pass as a discrete coarse-graining map and relate the appearance of stable "concept basins" to fixed points of this renormalization-like dynamics. The resulting low-entropy regime is characterized by a spectral tail collapse and by the formation of transient, reusable object-like structures in representation space, which we call Transient Class Objects (TCOs). We provide theoretical conditions connecting logical separability to spectral decay and validate the predicted signatures with layerwise probes on multiple open-weight model families.

In Autonomous Driving (AD) transparency and safety are paramount, as mistakes are costly. However, neural networks used in AD systems are generally considered black boxes. As a countermeasure, we have methods of explainable AI (XAI), such as feature relevance estimation and dimensionality reduction. Coarse graining techniques can also help reduce dimensionality and find interpretable global patterns. A specific coarse graining method is Renormalization Groups from statistical physics. It has previously been applied to Restricted Boltzmann Machines (RBMs) to interpret unsupervised learning. We refine this technique by building a transparent backbone model for convolutional variational autoencoders (VAE) that allows mapping latent values to input features and has performance comparable to trained black box VAEs. Moreover, we propose a custom feature map visualization technique to analyze the internal convolutional layers in the VAE to explain internal causes of poor reconstruction that may lead to dangerous traffic scenarios in AD applications. In a second key contribution, we propose explanation and evaluation techniques for the internal dynamics and feature relevance of prediction networks. We test a long short-term memory (LSTM) network in the computer vision domain to evaluate the predictability and in future applications potentially safety of prediction models. We showcase our methods by analyzing a VAE-LSTM world model that predicts pedestrian perception in an urban traffic situation.

The K-core of a graph is the unique maximum subgraph within which each vertex connects to K or more other vertices. The optimal K-core attack problem asks to delete the minimum number of vertices from the K-core to induce its complete collapse. A hierarchical cycle-tree packing model is introduced here for this challenging combinatorial optimization problem. We convert the temporally long-range correlated K-core pruning dynamics into locally tree-like static patterns and analyze this model through the replica-symmetric cavity method of statistical physics. A set of coarse-grained belief propagation equations are derived to predict single vertex marginal probabilities efficiently. The associated hierarchical cycle-tree guided attack ({\tt hCTGA}) algorithm is able to construct nearly optimal attack solutions for regular random graphs and Erd\"os-R\'enyi random graphs. Our cycle-tree packing model may also be helpful for constructing optimal initial conditions for other irreversible dynamical processes on sparse random graphs.

All current formulations of thermodynamics invoke some form of coarse-graining or ensembles as the supposed link between their own laws and the microscopic laws of motion. They deal only with ensemble-averages, expectation values, macroscopic limits, infinite heat baths, etc., not with the details of physical variables of individual microscopic systems. They are consistent with the laws of motion for finite systems only in certain approximations, which improve with increasing scale, given various assumptions about initial conditions which are neither specified precisely nor even thought to hold exactly in nature. Here I propose a new formulation of the zeroth, first and second laws, improving upon the axiomatic approach to thermodynamics (Carath\'eodory, 1909; Lieb & Yngvason, 1999), via the principles of the recently proposed constructor theory. Specifically, I provide a non-approximative, scale-independent formulation of 'adiabatic accessibility'; this in turn provides a non-approximative, scale-independent distinction between work and heat and reveals an unexpected connection between information theory and the first law of thermodynamics (not just the second). It also achieves the long-sought unification of the axiomatic approach with Kelvin's.

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of such a long-stride MD approach. We validate FlashMD's accuracy in reproducing equilibrium and time-dependent properties, using both system-specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.

Coarse architectural models are often generated at scales ranging from individual buildings to scenes for downstream applications such as Digital Twin City, Metaverse, LODs, etc. Such piece-wise planar models can be abstracted as twins from 3D dense reconstructions. However, these models typically lack realistic texture relative to the real building or scene, making them unsuitable for vivid display or direct reference. In this paper, we present TwinTex, the first automatic texture mapping framework to generate a photo-realistic texture for a piece-wise planar proxy. Our method addresses most challenges occurring in such twin texture generation. Specifically, for each primitive plane, we first select a small set of photos with greedy heuristics considering photometric quality, perspective quality and facade texture completeness. Then, different levels of line features (LoLs) are extracted from the set of selected photos to generate guidance for later steps. With LoLs, we employ optimization algorithms to align texture with geometry from local to global. Finally, we fine-tune a diffusion model with a multi-mask initialization component and a new dataset to inpaint the missing region. Experimental results on many buildings, indoor scenes and man-made objects of varying complexity demonstrate the generalization ability of our algorithm. Our approach surpasses state-of-the-art texture mapping methods in terms of high-fidelity quality and reaches a human-expert production level with much less effort. Project page: https://vcc.tech/research/2023/TwinTex.

We show how to extract from a sufficiently long time series of stationary fluctuations of chemical reactions an estimate of the entropy production. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics, and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein Language Models (PLMs) capture evolutionary statistics but lack explicit physical grounding, while generative models trained to model full ensembles are computationally expensive. In this work we critically assess these limits and propose a path forward. We introduce GeoGraph, a simulation-informed surrogate trained to predict ensemble-averaged statistics of residue-residue contact-map topology directly from sequence. By featurizing coarse-grained molecular dynamics simulations into residue- and sequence-level graph descriptors, we create a robust and information-rich learning target. Our evaluation demonstrates that this approach yields representations that are more predictive of key biophysical properties than existing methods.

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples. Generative molecular dynamics (GenMD) has recently emerged as an alternative, learning surrogates of molecular distributions either from data or through interaction with energy models. While these methods enable efficient sampling, their transferability across molecular systems is often limited. In this work, we show that incorporating auxiliary sources of information can improve the data efficiency and generalization of transferable implicit transfer operators (TITO) for molecular dynamics. We find that coarse-grained TITO models are substantially more data-efficient than Boltzmann Emulators, and that incorporating protein language model (pLM) embeddings further improves out-of-distribution generalization. Our approach, PLaTITO, achieves state-of-the-art performance on equilibrium sampling benchmarks for out-of-distribution protein systems, including fast-folding proteins. We further study the impact of additional conditioning signals -- such as structural embeddings, temperature, and large-language-model-derived embeddings -- on model performance.

We investigate the time evolution of the Boltzmann entropy of a dilute gas of N particles, N>>1, as it undergoes a free expansion doubling its volume. The microstate of the system, a point in the 4N dimensional phase space, changes in time via Hamiltonian dynamics. Its entropy, at any time t, is given by the logarithm of the phase space volume of all the microstates giving rise to its macrostate at time t. The macrostates that we consider are defined by coarse graining the one-particle phase space into cells Δ_α. The initial and final macrostates of the system are equilibrium states in volumes V and 2V, with the same energy E and particle number N. Their entropy per particle is given, for sufficiently large systems, by the thermodynamic entropy as a function of the particle and energy density, whose leading term is independent of the size of the Δ_α. The intermediate (non-equilibrium) entropy does however depend on the size of the cells Δ_α. Its change with time is due to (i) dispersal in physical space from free motion and to (ii) the collisions between particles which change their velocities. The former depends strongly on the size of the velocity coarse graining Δv: it produces entropy at a rate proportional to Δv. This dependence is investigated numerically and analytically for a dilute two-dimensional gas of hard discs. It becomes significant when the mean free path between collisions is of the same order or larger than the length scale of the initial spatial inhomogeneity. In the opposite limit, the rate of entropy production is essentially independent of Δv and is given by the Boltzmann equation for the limit Δvrightarrow 0. We show that when both processes are active the time dependence of the entropy has a scaling form involving the ratio of the rates of its production by the two processes.

In the text-to-image generation field, recent remarkable progress in Stable Diffusion makes it possible to generate rich kinds of novel photorealistic images. However, current models still face misalignment issues (e.g., problematic spatial relation understanding and numeration failure) in complex natural scenes, which impedes the high-faithfulness text-to-image generation. Although recent efforts have been made to improve controllability by giving fine-grained guidance (e.g., sketch and scribbles), this issue has not been fundamentally tackled since users have to provide such guidance information manually. In this work, we strive to synthesize high-fidelity images that are semantically aligned with a given textual prompt without any guidance. Toward this end, we propose a coarse-to-fine paradigm to achieve layout planning and image generation. Concretely, we first generate the coarse-grained layout conditioned on a given textual prompt via in-context learning based on Large Language Models. Afterward, we propose a fine-grained object-interaction diffusion method to synthesize high-faithfulness images conditioned on the prompt and the automatically generated layout. Extensive experiments demonstrate that our proposed method outperforms the state-of-the-art models in terms of layout and image generation. Our code and settings are available at https://layoutllm-t2i.github.io.

We address the problem of aligning real-world 3D data of garments, which benefits many applications such as texture learning, physical parameter estimation, generative modeling of garments, etc. Existing extrinsic methods typically perform non-rigid iterative closest point and struggle to align details due to incorrect closest matches and rigidity constraints. While intrinsic methods based on functional maps can produce high-quality correspondences, they work under isometric assumptions and become unreliable for garment deformations which are highly non-isometric. To achieve wrinkle-level as well as texture-level alignment, we present a novel coarse-to-fine two-stage method that leverages intrinsic manifold properties with two neural deformation fields, in the 3D space and the intrinsic space, respectively. The coarse stage performs a 3D fitting, where we leverage intrinsic manifold properties to define a manifold deformation field. The coarse fitting then induces a functional map that produces an alignment of intrinsic embeddings. We further refine the intrinsic alignment with a second neural deformation field for higher accuracy. We evaluate our method with our captured garment dataset, GarmCap. The method achieves accurate wrinkle-level and texture-level alignment and works for difficult garment types such as long coats. Our project page is https://jsnln.github.io/iccv2023_intrinsic/index.html.

In this report, we introduce UltraShape 1.0, a scalable 3D diffusion framework for high-fidelity 3D geometry generation. The proposed approach adopts a two-stage generation pipeline: a coarse global structure is first synthesized and then refined to produce detailed, high-quality geometry. To support reliable 3D generation, we develop a comprehensive data processing pipeline that includes a novel watertight processing method and high-quality data filtering. This pipeline improves the geometric quality of publicly available 3D datasets by removing low-quality samples, filling holes, and thickening thin structures, while preserving fine-grained geometric details. To enable fine-grained geometry refinement, we decouple spatial localization from geometric detail synthesis in the diffusion process. We achieve this by performing voxel-based refinement at fixed spatial locations, where voxel queries derived from coarse geometry provide explicit positional anchors encoded via RoPE, allowing the diffusion model to focus on synthesizing local geometric details within a reduced, structured solution space. Our model is trained exclusively on publicly available 3D datasets, achieving strong geometric quality despite limited training resources. Extensive evaluations demonstrate that UltraShape 1.0 performs competitively with existing open-source methods in both data processing quality and geometry generation. All code and trained models will be released to support future research.

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

Learning radiance fields (NeRF) with powerful 2D diffusion models has garnered popularity for text-to-3D generation. Nevertheless, the implicit 3D representations of NeRF lack explicit modeling of meshes and textures over surfaces, and such surface-undefined way may suffer from the issues, e.g., noisy surfaces with ambiguous texture details or cross-view inconsistency. To alleviate this, we present DreamMesh, a novel text-to-3D architecture that pivots on well-defined surfaces (triangle meshes) to generate high-fidelity explicit 3D model. Technically, DreamMesh capitalizes on a distinctive coarse-to-fine scheme. In the coarse stage, the mesh is first deformed by text-guided Jacobians and then DreamMesh textures the mesh with an interlaced use of 2D diffusion models in a tuning free manner from multiple viewpoints. In the fine stage, DreamMesh jointly manipulates the mesh and refines the texture map, leading to high-quality triangle meshes with high-fidelity textured materials. Extensive experiments demonstrate that DreamMesh significantly outperforms state-of-the-art text-to-3D methods in faithfully generating 3D content with richer textual details and enhanced geometry. Our project page is available at https://dreammesh.github.io.

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various examples including bio-inspired hierarchical honeycomb design, carbon nanotube mechanics, and protein unfolding. In spite of the flexible nature of the model-which allows us to easily incorporate diverse materials, scales, and mechanical features-it performs well across disparate forward and inverse tasks. Based on an autoregressive attention-model, MeLM effectively represents a large multi-particle system consisting of hundreds of millions of neurons, where the interaction potentials are discovered through graph-forming self-attention mechanisms that are then used to identify relationships from emergent structures, while taking advantage of synergies discovered in the training data. We show that the model can solve complex degenerate mechanics design problems and determine novel material architectures across a range of hierarchical levels, providing an avenue for materials discovery and analysis. Looking beyond the demonstrations reported in this paper, we discuss other opportunities in applied mechanics and general considerations about the use of large language models in modeling, design, and analysis that can span a broad spectrum of material properties from mechanical, thermal, optical, to electronic.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

We present 3D DEM simulations of bidisperse granular packings to investigate their jamming densities, phi_J, and dimensionless bulk moduli, K, as a function of the size ratio, delta, and the concentration of small particles, X_{mathrm S}. We determine the partial and total bulk moduli for each packing and report the jamming transition diagram, i.e., the density or volume fraction marking both the first and second transitions of the system. At a large enough size difference, e.g., delta le 0.22, X^{*}_{mathrm S} divides the diagram with most small particles either non-jammed or jammed jointly with large ones. We find that the bulk modulus K jumps at X^{*}_{mathrm S}(delta = 0.15) approx 0.21, at the maximum jamming density, where both particle species mix most efficiently, while for X_{mathrm S} < X^{*}_{mathrm S} K is decoupled in two scenarios as a result of the first and second jamming transition. Along the second transition, K rises relative to the values found at the first transition, however, is still small compared to K at X^{*}_{mathrm S}. While the first transition is sharp, the second is smooth, carried by small-large interactions, while the small-small contacts display a transition. This demonstrates that for low enough delta and X_{mathrm S}, the jamming of small particles indeed impacts the internal resistance of the system. Our new results will allow tuning the bulk modulus K or other properties, such as the wave speed, by choosing specific sizes and concentrations based on a better understanding of whether small particles contribute to the jammed structure or not, and how the micromechanical structure behaves at either transition.

Complex hierarchical structures composed of simple nanoscale building blocks form the basis of most biological materials. Here we demonstrate how analogies between seemingly different fields enable the understanding of general principles by which functional properties in hierarchical systems emerge, similar to an analogy learning process. Specifically, natural hierarchical materials like spider silk exhibit properties comparable to classical music in terms of their hierarchical structure and function. As a comparative tool here we apply hierarchical ontology logs (olog) that follow a rigorous mathematical formulation based on category theory to provide an insightful system representation by expressing knowledge in a conceptual map. We explain the process of analogy creation, draw connections at several levels of hierarchy and identify similar patterns that govern the structure of the hierarchical systems silk and music and discuss the impact of the derived analogy for nanotechnology.

We developed a multiscale approach (MultiSCAAL) that integrates the potential of mean force (PMF) obtained from all-atomistic molecular dynamics simulations with a knowledge-based energy function for coarse-grained molecular simulations in better exploring the energy landscape of a small protein under chemical interference such as chemical denaturation. An excessive amount of water molecules in all-atomistic molecular dynamics simulations often negatively impacts the sampling efficiency of some advanced sampling techniques such as the replica exchange method and it makes the investigation of chemical interferences on protein dynamics difficult. Thus, there is a need to develop an effective strategy that focuses on sampling structural changes in protein conformations rather than solvent molecule fluctuations. In this work, we address this issue by devising a multiscale simulation scheme (MultiSCAAL) that bridges the gap between all-atomistic molecular dynamics simulation and coarse-grained molecular simulation. The two key features of this scheme are the Boltzmann inversion and a protein atomistic reconstruction method we previously developed (SCAAL). Using MultiSCAAL, we were able to enhance the sampling efficiency of proteins solvated by explicit water molecules. Our method has been tested on the folding energy landscape of a small protein Trp-cage with explicit solvent under 8M urea using both the all-atomistic replica exchange molecular dynamics (AA-REMD) and MultiSCAAL. We compared computational analyses on ensemble conformations of Trp-cage with its available experimental NOE distances. The analysis demonstrated that conformations explored by MultiSCAAL better agree with the ones probed in the experiments because it can effectively capture the changes in side chain orientations that can flip out of the hydrophobic pocket in the presence of urea and water molecules.

In a novel application of the tools of topological data analysis (TDA) to nonperturbative quantum gravity, we introduce a new class of observables that allows us to assess whether quantum spacetime really resembles a ``quantum foam" near the Planck scale. The key idea is to investigate the Betti numbers of coarse-grained path integral histories, regularized in terms of dynamical triangulations, as a function of the coarse-graining scale. In two dimensions our analysis exhibits the well-known fractal structure of Euclidean quantum gravity.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

We investigate composed image retrieval with text feedback. Users gradually look for the target of interest by moving from coarse to fine-grained feedback. However, existing methods merely focus on the latter, i.e., fine-grained search, by harnessing positive and negative pairs during training. This pair-based paradigm only considers the one-to-one distance between a pair of specific points, which is not aligned with the one-to-many coarse-grained retrieval process and compromises the recall rate. In an attempt to fill this gap, we introduce a unified learning approach to simultaneously modeling the coarse- and fine-grained retrieval by considering the multi-grained uncertainty. The key idea underpinning the proposed method is to integrate fine- and coarse-grained retrieval as matching data points with small and large fluctuations, respectively. Specifically, our method contains two modules: uncertainty modeling and uncertainty regularization. (1) The uncertainty modeling simulates the multi-grained queries by introducing identically distributed fluctuations in the feature space. (2) Based on the uncertainty modeling, we further introduce uncertainty regularization to adapt the matching objective according to the fluctuation range. Compared with existing methods, the proposed strategy explicitly prevents the model from pushing away potential candidates in the early stage, and thus improves the recall rate. On the three public datasets, i.e., FashionIQ, Fashion200k, and Shoes, the proposed method has achieved +4.03%, +3.38%, and +2.40% Recall@50 accuracy over a strong baseline, respectively.

Diffusion models have shown remarkable results in generating 2D images and small-scale 3D objects. However, their application to the synthesis of large-scale 3D scenes has been rarely explored. This is mainly due to the inherent complexity and bulky size of 3D scenery data, particularly outdoor scenes, and the limited availability of comprehensive real-world datasets, which makes training a stable scene diffusion model challenging. In this work, we explore how to effectively generate large-scale 3D scenes using the coarse-to-fine paradigm. We introduce a framework, the Pyramid Discrete Diffusion model (PDD), which employs scale-varied diffusion models to progressively generate high-quality outdoor scenes. Experimental results of PDD demonstrate our successful exploration in generating 3D scenes both unconditionally and conditionally. We further showcase the data compatibility of the PDD model, due to its multi-scale architecture: a PDD model trained on one dataset can be easily fine-tuned with another dataset. Code is available at https://github.com/yuhengliu02/pyramid-discrete-diffusion.

Video diffusion models (VDMs) have advanced significantly in recent years, enabling the generation of highly realistic videos and drawing the attention of the community in their potential as world simulators. However, despite their capabilities, VDMs often fail to produce physically plausible videos due to an inherent lack of understanding of physics, resulting in incorrect dynamics and event sequences. To address this limitation, we propose a novel two-stage image-to-video generation framework that explicitly incorporates physics. In the first stage, we employ a Vision Language Model (VLM) as a coarse-grained motion planner, integrating chain-of-thought and physics-aware reasoning to predict a rough motion trajectories/changes that approximate real-world physical dynamics while ensuring the inter-frame consistency. In the second stage, we use the predicted motion trajectories/changes to guide the video generation of a VDM. As the predicted motion trajectories/changes are rough, noise is added during inference to provide freedom to the VDM in generating motion with more fine details. Extensive experimental results demonstrate that our framework can produce physically plausible motion, and comparative evaluations highlight the notable superiority of our approach over existing methods. More video results are available on our Project Page: https://madaoer.github.io/projects/physically_plausible_video_generation.

In geometrically frustrated assemblies local inter-subunit misfits propagate to intra-assembly strain gradients, giving rise to anomalous self-limiting assembly thermodynamics. Here, we use theory and coarse-grained simulation to study a recently developed class of ``curvamer'' particles, flexible shell-like particles that exhibit self-limiting assembly due to the build up of curvature deformation in cohesive stacks. To address a generic, yet poorly understood aspect of frustrated assembly, we introduce a model of curvamer assembly that incorporates both {\it intra-particle} shape deformation as well as compliance of {\it inter-particle} cohesive gaps, an effect we can attribute to a {\it finite range of attraction} between particles. We show that the ratio of intra-particle (bending elasticity) to inter-particle stiffness not only controls the regimes of self-limitation but also the nature of frustration propagation through curvamer stacks. We find a transition from uniformly-bound, curvature-focusing stacks at small size to gap-opened, uniformly curved stacks at large size is controlled by a dimensionless measure of inter- versus intra-curvamer stiffness. The finite range of inter-particle attraction determines range of cohesion in stacks are self-limiting, a prediction which is in strong agreement with numerical studies of our coarse-grained colloidal model. These predictions provide critical guidance for experimental realizations of frustrated particle systems designed to exhibit self-limitation at especially large multi-particle scales.

Recent advancements in Large Language Models (LLMs) have driven growing interest in LLM-based agents for complex planning tasks. To avoid costly agent training, many studies adopted memory mechanism that enhances LLM with offline experiences or online trajectory analysis. However, existing works focus on single-granularity memory derived from dynamic environmental interactions, which are inherently constrained by the quality of the collected experiences. This limitation, in turn, constrain the diversity of knowledge and the flexibility of planning. We propose Coarse-to-Fine Grounded Memory (), a novel framework that grounds coarse-to-fine memories with LLM, thereby fully leverage them for flexible adaptation to diverse scenarios. grounds environmental information into coarse-grained focus points to guide experience collection in training tasks, followed by grounding of actionable hybrid-grained tips from each experience. At inference, retrieves task-relevant experiences and tips to support planning. When facing environmental anomalies, the LLM grounds the current situation into fine-grained key information, enabling flexible self-QA reflection and plan correction.

We present dla-ideal-solver, a high-performance framework for simulating two-dimensional Diffusion-Limited Aggregation (DLA) using Numba-accelerated Python. By leveraging just-in-time (JIT) compilation, we achieve computational throughput comparable to legacy static implementations while retaining high-level flexibility. We investigate the Laplacian growth instability across varying injection geometries and walker concentrations. Our analysis confirms the robustness of the standard fractal dimension D_f approx 1.71 for dilute regimes, consistent with the Witten-Sander universality class. However, we report a distinct crossover to Eden-like compact growth (D_f approx 1.87) in high-density environments, attributed to the saturation of the screening length. Beyond standard mass-radius scaling, we employ generalized Rényi dimensions and lacunarity metrics to quantify the monofractal character and spatial heterogeneity of the aggregates. This work establishes a reproducible, open-source testbed for exploring phase transitions in non-equilibrium statistical mechanics.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

Statistics of grain sizes and orientations in metals correlate to the material's mechanical properties. Reproducing representative volume elements for further analysis of deformation and failure in metals, like 316L stainless steel, is particularly important due to their wide use in manufacturing goods today. Two approaches, initially created for video games, were considered for the procedural generation of representative grain microstructures. The first is the Wave Function Collapse (WFC) algorithm, and the second is constraint propagation and probabilistic inference through Markov Junior, a free and open-source software. This study aimed to investigate these two algorithms' effectiveness in using reference electron backscatter diffraction (EBSD) maps and recreating a statistically similar one that could be used in further research. It utilized two stainless steel EBSD maps as references to test both algorithms. First, the WFC algorithm was too constricting and, thus, incapable of producing images that resembled EBSDs. The second, MarkovJunior, was much more effective in creating a Voronoi tessellation that could be used to create an EBSD map in Python. When comparing the results between the reference and the generated EBSD, we discovered that the orientation and volume fractions were extremely similar. With the study, it was concluded that MarkovJunior is an effective machine learning tool that can reproduce representative grain microstructures.

In an experiment on a turbulent jet, we detect interfacial turbulent layers in a frame that moves, on average, along with the \tnti. This significantly prolongs the observation time of scalar and velocity structures and enables the measurement of two types of Lagrangian coherent structures. One structure, the finite-time Lyapunov field (FTLE), quantifies advective transport barriers of fluid parcels while the other structure highlights barriers of diffusive momentum transport. These two complementary structures depend on large-scale and small-scale motion and are therefore associated with the growth of the turbulent region through engulfment or nibbling, respectively. We detect the \tnti\ from cluster analysis, where we divide the measured scalar field into four clusters. Not only the \tnti\ can be found this way, but also the next, internal, turbulent-turbulent interface. Conditional averages show that these interfaces are correlated with barriers of advective and diffusive transport when the Lagrangian integration time is smaller than the integral time scale. Diffusive structures decorrelate faster since they have a smaller timescale. Conditional averages of these structures at internal turbulent-turbulent interfaces show the same pattern with a more pronounced jump at the interface indicative of a shear layer. This is quite an unexpected outcome, as the internal interface is now defined not by the presence or absence of vorticity, but by conditional vorticity corresponding to two uniform concentration zones. The long-time diffusive momentum flux along Lagrangian paths represents the growth of the turbulent flow into the irrotational domain, a direct demonstration of nibbling. The diffusive flux parallel to the \tnti\ appears to be concentrated in a diffusive superlayer whose width is comparable with the Taylor microscale, which is relatively invariant in time.

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

In 2000, Gillespie rehabilitated the chemical Langevin equation (CLE) by describing two conditions that must be satisfied for it yield a valid approximation of the chemical master equation (CME). In this work, we construct an original path integral description of the CME, and show how applying Gillespie's two conditions to it directly leads to a path integral equivalent to the CLE. We compare this approach to the path integral equivalent of a large system size derivation, and show that they are qualitatively different. In particular, both approaches involve converting many sums into many integrals, and the difference between the two methods is essentially the difference between using the Euler-Maclaurin formula and using Riemann sums. Our results shed light on how path integrals can be used to conceptualize coarse-graining biochemical systems, and are readily generalizable.

Correlated structures are intimately connected to intriguing phenomena exhibited by a variety of disordered systems such as soft colloidal gels, bio-polymer networks and colloidal suspensions near a shear jamming transition. The universal critical behavior of these systems near the onset of rigidity is often described by traditional approaches as the coherent potential approximation - a versatile version of effective-medium theory that nevertheless have hitherto lacked key ingredients to describe disorder spatial correlations. Here we propose a multi-purpose generalization of the coherent potential approximation to describe the mechanical behavior of elastic networks with spatially-correlated disorder. We apply our theory to a simple rigidity-percolation model for colloidal gels and study the effects of correlations in both the critical point and the overall scaling behavior. We find that although the presence of spatial correlations (mimicking attractive interactions of gels) shifts the critical packing fraction to lower values, suggesting sub-isostatic behavior, the critical coordination number of the associated network remains isostatic. More importantly, we discuss how our theory can be employed to describe a large variety of systems with spatially-correlated disorder.

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.

Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the art performance on a range of predictive tasks including molecular properties, structure generation, and protein-ligand interactions. The majority of approaches are limited by their use of static structures and it remains an open question, how best to use atomistic molecular dynamics (MD) simulations to develop more generalized models to improve prediction accuracy for novel molecular structures. We present SURrogate mmGBSA (SurGBSA) as a new modeling approach for MD-based representation learning, which learns a surrogate function of the Molecular Mechanics Generalized Born Surface Area (MMGBSA). We show for the first time the benefits of physics-informed pre-training to train a surrogate MMGBSA model on a collection of over 1.4 million 3D trajectories collected from MD simulations of the CASF-2016 benchmark. SurGBSA demonstrates a dramatic 27,927x speedup versus a traditional physics-based single-point MMGBSA calculation while nearly matching single-point MMGBSA accuracy on the challenging pose ranking problem for identification of the correct top pose (-0.4% difference). Our work advances the development of molecular foundation models by showing model improvements when training on MD simulations. Models, code and training data are made publicly available.

We develop a discipline-agnostic emergence calculus that treats theories as fixed points of idempotent operators acting on descriptions. We show that, once processes are composable but access to the underlying system is mediated by a bounded observational interface, a canonical toolkit of six closure-changing primitives (P1--P6) is unavoidable. The framework unifies order-theoretic closure operators with dynamics-induced endomaps E_{τ,f} built from a Markov kernel, a coarse-graining lens, and a time scale τ. We introduce a computable total-variation idempotence defect for E_{τ,f}; small retention error implies approximate idempotence and yields stable "objects" packaged at the chosen τ within a fixed lens. For directionality, we define an arrow-of-time functional as the path-space KL divergence between forward and time-reversed trajectories and prove it is monotone under coarse-graining (data processing); we also formalize a protocol-trap audit showing that protocol holonomy alone cannot sustain asymmetry without a genuine affinity in the lifted dynamics. Finally, we prove a finite forcing-style counting lemma: relative to a partition-based theory, definable predicate extensions are exponentially rare, giving a clean anti-saturation mechanism for strict ladder climbing.

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49% vs 28%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.

Biological tissues exhibit complex behaviors with their dynamics often resembling inert soft matter such as liquids, polymers, colloids, and liquid crystals. These analogies enable physics-based approaches for investigations of emergent behaviors in biological processes. A well-studied case is the spreading of cellular aggregates on solid surfaces, where they display dynamics similar to viscous droplets. In vivo, however, cells and tissues are in a confined environment with varying geometries and mechanical properties to which they need to adapt. In this work, we compressed cellular aggregates between two solid surfaces and studied their dynamics using microscopy, and computer simulations. The confined cellular aggregates transitioned from compressed spheres into dynamic living capillary bridges exhibiting bridge thinning and a convex-to-concave meniscus curvature transition. We found that the stability of the bridge is determined by the interplay between cell growth and cell spreading on the confining surfaces. This interaction leads to bridge rupture at a critical length scale determined by the distance between the plates. The force distributions, formation and stability regimes of the living capillary bridges were characterized with full 3D computer simulations that included cell division, migration and growth dynamics, directly showing how mechanical principles govern the behavior of the living bridges; cellular aggregates display jamming and stiffening analogously to granular matter, and cell division along the long axis enhances thinning. Based on our results, we propose a new class of active soft matter behavior, where cellular aggregates exhibit liquid-like adaptation to confinement, but with self-organized rupturing driven by biological activity.

It is inherently ambiguous to lift 2D results from pre-trained diffusion models to a 3D world for text-to-3D generation. 2D diffusion models solely learn view-agnostic priors and thus lack 3D knowledge during the lifting, leading to the multi-view inconsistency problem. We find that this problem primarily stems from geometric inconsistency, and avoiding misplaced geometric structures substantially mitigates the problem in the final outputs. Therefore, we improve the consistency by aligning the 2D geometric priors in diffusion models with well-defined 3D shapes during the lifting, addressing the vast majority of the problem. This is achieved by fine-tuning the 2D diffusion model to be viewpoint-aware and to produce view-specific coordinate maps of canonically oriented 3D objects. In our process, only coarse 3D information is used for aligning. This "coarse" alignment not only resolves the multi-view inconsistency in geometries but also retains the ability in 2D diffusion models to generate detailed and diversified high-quality objects unseen in the 3D datasets. Furthermore, our aligned geometric priors (AGP) are generic and can be seamlessly integrated into various state-of-the-art pipelines, obtaining high generalizability in terms of unseen shapes and visual appearance while greatly alleviating the multi-view inconsistency problem. Our method represents a new state-of-the-art performance with an 85+% consistency rate by human evaluation, while many previous methods are around 30%. Our project page is https://sweetdreamer3d.github.io/

Large-scale physical systems defined on irregular grids pose significant scalability challenges for deep learning methods, especially in the presence of long-range interactions and multi-scale coupling. Traditional approaches that compute all pairwise interactions, such as attention, become computationally prohibitive as they scale quadratically with the number of nodes. We present Erwin, a hierarchical transformer inspired by methods from computational many-body physics, which combines the efficiency of tree-based algorithms with the expressivity of attention mechanisms. Erwin employs ball tree partitioning to organize computation, which enables linear-time attention by processing nodes in parallel within local neighborhoods of fixed size. Through progressive coarsening and refinement of the ball tree structure, complemented by a novel cross-ball interaction mechanism, it captures both fine-grained local details and global features. We demonstrate Erwin's effectiveness across multiple domains, including cosmology, molecular dynamics, PDE solving, and particle fluid dynamics, where it consistently outperforms baseline methods both in accuracy and computational efficiency.

In recent years, 3D Gaussian splatting has emerged as a powerful technique for 3D reconstruction and generation, known for its fast and high-quality rendering capabilities. To address these shortcomings, this paper introduces a novel diffusion-based framework, GVGEN, designed to efficiently generate 3D Gaussian representations from text input. We propose two innovative techniques:(1) Structured Volumetric Representation. We first arrange disorganized 3D Gaussian points as a structured form GaussianVolume. This transformation allows the capture of intricate texture details within a volume composed of a fixed number of Gaussians. To better optimize the representation of these details, we propose a unique pruning and densifying method named the Candidate Pool Strategy, enhancing detail fidelity through selective optimization. (2) Coarse-to-fine Generation Pipeline. To simplify the generation of GaussianVolume and empower the model to generate instances with detailed 3D geometry, we propose a coarse-to-fine pipeline. It initially constructs a basic geometric structure, followed by the prediction of complete Gaussian attributes. Our framework, GVGEN, demonstrates superior performance in qualitative and quantitative assessments compared to existing 3D generation methods. Simultaneously, it maintains a fast generation speed (sim7 seconds), effectively striking a balance between quality and efficiency.

Robot co-design, where the morphology of a robot is optimized jointly with a learned policy to solve a specific task, is an emerging area of research. It holds particular promise for soft robots, which are amenable to novel manufacturing techniques that can realize learned morphologies and actuators. Inspired by nature and recent novel robot designs, we propose to go a step further and explore the novel reconfigurable robots, defined as robots that can change their morphology within their lifetime. We formalize control of reconfigurable soft robots as a high-dimensional reinforcement learning (RL) problem. We unify morphology change, locomotion, and environment interaction in the same action space, and introduce an appropriate, coarse-to-fine curriculum that enables us to discover policies that accomplish fine-grained control of the resulting robots. We also introduce DittoGym, a comprehensive RL benchmark for reconfigurable soft robots that require fine-grained morphology changes to accomplish the tasks. Finally, we evaluate our proposed coarse-to-fine algorithm on DittoGym and demonstrate robots that learn to change their morphology several times within a sequence, uniquely enabled by our RL algorithm. More results are available at https://dittogym.github.io.

We present FreeBird, an extensible Julia-based platform for computational studies of phase equilibria at generic interfaces. The package supports a range of system configurations, from atomistic solid surfaces to coarse-grained lattice-gas models, with energies evaluated using classical interatomic potentials or lattice Hamiltonians. Both atomistic and lattice systems accommodate single- or multi-component mixtures with flexibly definable surface and lattice geometries. Implemented sampling algorithms include nested sampling, Wang-Landau sampling, Metropolis Monte Carlo, and, for tractable lattice systems, exact enumeration. Leveraging Julia's type hierarchies and multiple dispatch, FreeBird provides a modular interface that allows seamless integration of system definitions, energy evaluators, and sampling schemes. Designed for flexibility, extensibility, and performance, FreeBird offers a versatile framework for exploring the thermodynamics of interfacial phenomena.

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.

Lagrangian turbulence lies at the core of numerous applied and fundamental problems related to the physics of dispersion and mixing in engineering, bio-fluids, atmosphere, oceans, and astrophysics. Despite exceptional theoretical, numerical, and experimental efforts conducted over the past thirty years, no existing models are capable of faithfully reproducing statistical and topological properties exhibited by particle trajectories in turbulence. We propose a machine learning approach, based on a state-of-the-art diffusion model, to generate single-particle trajectories in three-dimensional turbulence at high Reynolds numbers, thereby bypassing the need for direct numerical simulations or experiments to obtain reliable Lagrangian data. Our model demonstrates the ability to reproduce most statistical benchmarks across time scales, including the fat-tail distribution for velocity increments, the anomalous power law, and the increased intermittency around the dissipative scale. Slight deviations are observed below the dissipative scale, particularly in the acceleration and flatness statistics. Surprisingly, the model exhibits strong generalizability for extreme events, producing events of higher intensity and rarity that still match the realistic statistics. This paves the way for producing synthetic high-quality datasets for pre-training various downstream applications of Lagrangian turbulence.

Time series forecasting is widely used in extensive applications, such as traffic planning and weather forecasting. However, real-world time series usually present intricate temporal variations, making forecasting extremely challenging. Going beyond the mainstream paradigms of plain decomposition and multiperiodicity analysis, we analyze temporal variations in a novel view of multiscale-mixing, which is based on an intuitive but important observation that time series present distinct patterns in different sampling scales. The microscopic and the macroscopic information are reflected in fine and coarse scales respectively, and thereby complex variations can be inherently disentangled. Based on this observation, we propose TimeMixer as a fully MLP-based architecture with Past-Decomposable-Mixing (PDM) and Future-Multipredictor-Mixing (FMM) blocks to take full advantage of disentangled multiscale series in both past extraction and future prediction phases. Concretely, PDM applies the decomposition to multiscale series and further mixes the decomposed seasonal and trend components in fine-to-coarse and coarse-to-fine directions separately, which successively aggregates the microscopic seasonal and macroscopic trend information. FMM further ensembles multiple predictors to utilize complementary forecasting capabilities in multiscale observations. Consequently, TimeMixer is able to achieve consistent state-of-the-art performances in both long-term and short-term forecasting tasks with favorable run-time efficiency.

Many data have an underlying dependence on spatial location; it may be weather on the Earth, a simulation on a mesh, or a registered image. Yet this feature is rarely taken advantage of, and violates common assumptions made by many neural network layers, such as translation equivariance. Further, many works that do incorporate locality fail to capture fine-grained structure. To address this, we introduce the Spatial Mixture-of-Experts (SMoE) layer, a sparsely-gated layer that learns spatial structure in the input domain and routes experts at a fine-grained level to utilize it. We also develop new techniques to train SMoEs, including a self-supervised routing loss and damping expert errors. Finally, we show strong results for SMoEs on numerous tasks, and set new state-of-the-art results for medium-range weather prediction and post-processing ensemble weather forecasts.

Amodal object segmentation is a challenging task that involves segmenting both visible and occluded parts of an object. In this paper, we propose a novel approach, called Coarse-to-Fine Segmentation (C2F-Seg), that addresses this problem by progressively modeling the amodal segmentation. C2F-Seg initially reduces the learning space from the pixel-level image space to the vector-quantized latent space. This enables us to better handle long-range dependencies and learn a coarse-grained amodal segment from visual features and visible segments. However, this latent space lacks detailed information about the object, which makes it difficult to provide a precise segmentation directly. To address this issue, we propose a convolution refine module to inject fine-grained information and provide a more precise amodal object segmentation based on visual features and coarse-predicted segmentation. To help the studies of amodal object segmentation, we create a synthetic amodal dataset, named as MOViD-Amodal (MOViD-A), which can be used for both image and video amodal object segmentation. We extensively evaluate our model on two benchmark datasets: KINS and COCO-A. Our empirical results demonstrate the superiority of C2F-Seg. Moreover, we exhibit the potential of our approach for video amodal object segmentation tasks on FISHBOWL and our proposed MOViD-A. Project page at: http://jianxgao.github.io/C2F-Seg.

Large-scale vision foundation models such as Segment Anything (SAM) demonstrate impressive performance in zero-shot image segmentation at multiple levels of granularity. However, these zero-shot predictions are rarely 3D-consistent. As the camera viewpoint changes in a scene, so do the segmentation predictions, as well as the characterizations of "coarse" or "fine" granularity. In this work, we address the challenging task of lifting multi-granular and view-inconsistent image segmentations into a hierarchical and 3D-consistent representation. We learn a novel feature field within a Neural Radiance Field (NeRF) representing a 3D scene, whose segmentation structure can be revealed at different scales by simply using different thresholds on feature distance. Our key idea is to learn an ultrametric feature space, which unlike a Euclidean space, exhibits transitivity in distance-based grouping, naturally leading to a hierarchical clustering. Put together, our method takes view-inconsistent multi-granularity 2D segmentations as input and produces a hierarchy of 3D-consistent segmentations as output. We evaluate our method and several baselines on synthetic datasets with multi-view images and multi-granular segmentation, showcasing improved accuracy and viewpoint-consistency. We additionally provide qualitative examples of our model's 3D hierarchical segmentations in real world scenes. The code and dataset are available at https://github.com/hardyho/ultrametric_feature_fields

When completing knowledge-intensive tasks, humans sometimes need not just an answer but also a corresponding reference passage for auxiliary reading. Previous methods required obtaining pre-segmented article chunks through additional retrieval models. This paper explores leveraging the parameterized knowledge stored during the pre-training phase of large language models (LLMs) to independently recall reference passage from any starting position. We propose a two-stage framework that simulates the scenario of humans recalling easily forgotten references. Initially, the LLM is prompted to recall document title identifiers to obtain a coarse-grained document set. Then, based on the acquired coarse-grained document set, it recalls fine-grained passage. In the two-stage recall process, we use constrained decoding to ensure that content outside of the stored documents is not generated. To increase speed, we only recall a short prefix in the second stage, then locate its position to retrieve a complete passage. Experiments on KILT knowledge-sensitive tasks have verified that LLMs can independently recall reference passage location in various task forms, and the obtained reference significantly assist downstream tasks.

Coarse-guided visual generation, which synthesizes fine visual samples from degraded or low-fidelity coarse references, is essential for various real-world applications. While training-based approaches are effective, they are inherently limited by high training costs and restricted generalization due to paired data collection. Accordingly, recent training-free works propose to leverage pretrained diffusion models and incorporate guidance during the sampling process. However, these training-free methods either require knowing the forward (fine-to-coarse) transformation operator, e.g., bicubic downsampling, or are difficult to balance between guidance and synthetic quality. To address these challenges, we propose a novel guided method by using the h-transform, a tool that can constrain stochastic processes (e.g., sampling process) under desired conditions. Specifically, we modify the transition probability at each sampling timestep by adding to the original differential equation with a drift function, which approximately steers the generation toward the ideal fine sample. To address unavoidable approximation errors, we introduce a noise-level-aware schedule that gradually de-weights the term as the error increases, ensuring both guidance adherence and high-quality synthesis. Extensive experiments across diverse image and video generation tasks demonstrate the effectiveness and generalization of our method.

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are ill-suited for modeling the topological properties of graphs since learning to denoise the noisy samples does not explicitly learn the graph structures to be generated. To tackle this limitation, we propose a generative framework that models the topology of graphs by explicitly learning the final graph structures of the diffusion process. Specifically, we design the generative process as a mixture of endpoint-conditioned diffusion processes which is driven toward the predicted graph that results in rapid convergence. We further introduce a simple parameterization of the mixture process and develop an objective for learning the final graph structure, which enables maximum likelihood training. Through extensive experimental validation on general graph and 2D/3D molecule generation tasks, we show that our method outperforms previous generative models, generating graphs with correct topology with both continuous (e.g. 3D coordinates) and discrete (e.g. atom types) features. Our code is available at https://github.com/harryjo97/GruM.

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or involve computationally expensive nested Markov chain Monte Carlo (MCMC) loops. In contrast, the proposed approach leverages stochastic averaging within a slow-fast system of stochastic differential equations (SDEs) to estimate intermediate scores along a diffusion path without training or inner-loop MCMC. Two algorithms are developed under this framework: MultALMC, which uses multiscale annealed Langevin dynamics, and MultCDiff, based on multiscale controlled diffusions for the reverse-time Ornstein-Uhlenbeck process. Both overdamped and underdamped variants are considered, with theoretical guarantees of convergence to the desired diffusion path. The framework is extended to handle heavy-tailed target distributions using Student's t-based noise models and tailored fast-process dynamics. Empirical results across synthetic and real-world benchmarks, including multimodal and high-dimensional distributions, demonstrate that the proposed methods are competitive with existing samplers in terms of accuracy and efficiency, without the need for learned models.

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model -- and its qualitative and at times quantitative accuracy -- on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, and chemical reactions. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry.

We present a novel generative 3D modeling system, coined CraftsMan, which can generate high-fidelity 3D geometries with highly varied shapes, regular mesh topologies, and detailed surfaces, and, notably, allows for refining the geometry in an interactive manner. Despite the significant advancements in 3D generation, existing methods still struggle with lengthy optimization processes, irregular mesh topologies, noisy surfaces, and difficulties in accommodating user edits, consequently impeding their widespread adoption and implementation in 3D modeling software. Our work is inspired by the craftsman, who usually roughs out the holistic figure of the work first and elaborates the surface details subsequently. Specifically, we employ a 3D native diffusion model, which operates on latent space learned from latent set-based 3D representations, to generate coarse geometries with regular mesh topology in seconds. In particular, this process takes as input a text prompt or a reference image and leverages a powerful multi-view (MV) diffusion model to generate multiple views of the coarse geometry, which are fed into our MV-conditioned 3D diffusion model for generating the 3D geometry, significantly improving robustness and generalizability. Following that, a normal-based geometry refiner is used to significantly enhance the surface details. This refinement can be performed automatically, or interactively with user-supplied edits. Extensive experiments demonstrate that our method achieves high efficacy in producing superior-quality 3D assets compared to existing methods. HomePage: https://craftsman3d.github.io/, Code: https://github.com/wyysf-98/CraftsMan

Aligned Large Language Models (LLMs) showcase remarkable versatility, capable of handling diverse real-world tasks. Meanwhile, aligned LLMs are also expected to exhibit speciality, excelling in specific applications. However, fine-tuning with extra data, a common practice to gain speciality, often leads to catastrophic forgetting (CF) of previously acquired versatility, hindering the model's performance across diverse tasks. In response to this challenge, we propose CoFiTune, a coarse to fine framework in an attempt to strike the balance between speciality and versatility. At the coarse-grained level, an empirical tree-search algorithm is utilized to pinpoint and update specific modules that are crucial for speciality, while keeping other parameters frozen; at the fine-grained level, a soft-masking mechanism regulates the update to the LLMs, mitigating the CF issue without harming speciality. In an overall evaluation of both speciality and versatility, CoFiTune consistently outperforms baseline methods across diverse tasks and model scales. Compared to the full-parameter SFT, CoFiTune leads to about 14% versatility improvement and marginal speciality loss on a 13B model. Lastly, based on further analysis, we provide a speculative insight into the information forwarding process in LLMs, which helps explain the effectiveness of the proposed method. The code is available at https://github.com/rattlesnakey/CoFiTune.

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, MSM Emulators, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.

Multivariate time series data, collected across various fields such as manufacturing and wearable technology, exhibit states at multiple levels of granularity, from coarse-grained system behaviors to fine-grained, detailed events. Effectively segmenting and integrating states across these different granularities is crucial for tasks like predictive maintenance and performance optimization. However, existing time series segmentation methods face two key challenges: (1) the inability to handle multiple levels of granularity within a unified model, and (2) limited adaptability to new, evolving patterns in dynamic environments. To address these challenges, we propose PromptTSS, a novel framework for time series segmentation with multi-granularity states. PromptTSS uses a unified model with a prompting mechanism that leverages label and boundary information to guide segmentation, capturing both coarse- and fine-grained patterns while adapting dynamically to unseen patterns. Experiments show PromptTSS improves accuracy by 24.49% in multi-granularity segmentation, 17.88% in single-granularity segmentation, and up to 599.24% in transfer learning, demonstrating its adaptability to hierarchical states and evolving time series dynamics. Our code is available at https://github.com/blacksnail789521/PromptTSS.

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

While transfer learning is an advantageous strategy, it overlooks the opportunity to leverage knowledge from numerous available models online. Addressing this multi-source transfer learning problem is a promising path to boost adaptability and cut re-training costs. However, existing approaches are inherently coarse-grained, lacking the necessary precision for granular knowledge extraction and the aggregation efficiency required to fuse knowledge from either a large number of source models or those with high parameter counts. We address these limitations by leveraging Singular Value Decomposition (SVD) to first decompose each source model into its elementary, rank-one components. A subsequent aggregation stage then selects only the most salient components from all sources, thereby overcoming the previous efficiency and precision limitations. To best preserve and leverage the synthesized knowledge base, our method adapts to the target task by fine-tuning only the principal singular values of the merged matrix. In essence, this process only recalibrates the importance of top SVD components. The proposed framework allows for efficient transfer learning, is robust to perturbations both at the input level and in the parameter space (e.g., noisy or pruned sources), and scales well computationally.

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at generating independent configurations. We show that, using a carefully constructed network architecture, our approach can be easily scaled to large lattice volumes with minimal retraining effort. The source code for our implementation is publicly available online at https://github.com/nftqcd/fthmc.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

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/ .

The advancement of diffusion models has pushed the boundary of text-to-3D object generation. While it is straightforward to composite objects into a scene with reasonable geometry, it is nontrivial to texture such a scene perfectly due to style inconsistency and occlusions between objects. To tackle these problems, we propose a coarse-to-fine 3D scene texturing framework, referred to as RoomTex, to generate high-fidelity and style-consistent textures for untextured compositional scene meshes. In the coarse stage, RoomTex first unwraps the scene mesh to a panoramic depth map and leverages ControlNet to generate a room panorama, which is regarded as the coarse reference to ensure the global texture consistency. In the fine stage, based on the panoramic image and perspective depth maps, RoomTex will refine and texture every single object in the room iteratively along a series of selected camera views, until this object is completely painted. Moreover, we propose to maintain superior alignment between RGB and depth spaces via subtle edge detection methods. Extensive experiments show our method is capable of generating high-quality and diverse room textures, and more importantly, supporting interactive fine-grained texture control and flexible scene editing thanks to our inpainting-based framework and compositional mesh input. Our project page is available at https://qwang666.github.io/RoomTex/.

Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrangements of atoms in a periodic lattice only a vanishingly small percentage are thermodynamically stable, which is a key indicator of the materials that can be experimentally realized. Two fundamental tasks in this area are to (a) predict the stable crystal structure of a known composition of elements and (b) propose novel compositions along with their stable structures. We present FlowMM, a pair of generative models that achieve state-of-the-art performance on both tasks while being more efficient and more flexible than competing methods. We generalize Riemannian Flow Matching to suit the symmetries inherent to crystals: translation, rotation, permutation, and periodic boundary conditions. Our framework enables the freedom to choose the flow base distributions, drastically simplifying the problem of learning crystal structures compared with diffusion models. In addition to standard benchmarks, we validate FlowMM's generated structures with quantum chemistry calculations, demonstrating that it is about 3x more efficient, in terms of integration steps, at finding stable materials compared to previous open methods.

Advances in generative modeling have recently been adapted to tabular data containing discrete and continuous features. However, generating mixed-type features that combine discrete states with an otherwise continuous distribution in a single feature remains challenging. We advance the state-of-the-art in diffusion models for tabular data with a cascaded approach. We first generate a low-resolution version of a tabular data row, that is, the collection of the purely categorical features and a coarse categorical representation of numerical features. Next, this information is leveraged in the high-resolution flow matching model via a novel guided conditional probability path and data-dependent coupling. The low-resolution representation of numerical features explicitly accounts for discrete outcomes, such as missing or inflated values, and therewith enables a more faithful generation of mixed-type features. We formally prove that this cascade tightens the transport cost bound. The results indicate that our model generates significantly more realistic samples and captures distributional details more accurately, for example, the detection score increases by 40%.

We study the fractal structure of language, aiming to provide a precise formalism for quantifying properties that may have been previously suspected but not formally shown. We establish that language is: (1) self-similar, exhibiting complexities at all levels of granularity, with no particular characteristic context length, and (2) long-range dependent (LRD), with a Hurst parameter of approximately H=0.70. Based on these findings, we argue that short-term patterns/dependencies in language, such as in paragraphs, mirror the patterns/dependencies over larger scopes, like entire documents. This may shed some light on how next-token prediction can lead to a comprehension of the structure of text at multiple levels of granularity, from words and clauses to broader contexts and intents. We also demonstrate that fractal parameters improve upon perplexity-based bits-per-byte (BPB) in predicting downstream performance. We hope these findings offer a fresh perspective on language and the mechanisms underlying the success of LLMs.

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.

Unified generation of sequence and structure for scientific data (e.g., materials, molecules, proteins) is a critical task. Existing approaches primarily rely on either autoregressive sequence models or diffusion models, each offering distinct advantages and facing notable limitations. Autoregressive models, such as GPT, Llama, and Phi-4, have demonstrated remarkable success in natural language generation and have been extended to multimodal tasks (e.g., image, video, and audio) using advanced encoders like VQ-VAE to represent complex modalities as discrete sequences. However, their direct application to scientific domains is challenging due to the high precision requirements and the diverse nature of scientific data. On the other hand, diffusion models excel at generating high-dimensional scientific data, such as protein, molecule, and material structures, with remarkable accuracy. Yet, their inability to effectively model sequences limits their potential as general-purpose multimodal foundation models. To address these challenges, we propose UniGenX, a unified framework that combines autoregressive next-token prediction with conditional diffusion models. This integration leverages the strengths of autoregressive models to ease the training of conditional diffusion models, while diffusion-based generative heads enhance the precision of autoregressive predictions. We validate the effectiveness of UniGenX on material and small molecule generation tasks, achieving a significant leap in state-of-the-art performance for material crystal structure prediction and establishing new state-of-the-art results for small molecule structure prediction, de novo design, and conditional generation. Notably, UniGenX demonstrates significant improvements, especially in handling long sequences for complex structures, showcasing its efficacy as a versatile tool for scientific data generation.

Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical challenges, as it involves combining very different mathematical foundations, as well as software ecosystems that are very well developed in their own merit, but do not share many commonalities. To address these issues and facilitate the adoption of ML in atomistic simulations, we introduce two dedicated software libraries. The first one, metatensor, provides multi-platform and multi-language storage and manipulation of arrays with many potentially sparse indices, designed from the ground up for atomistic ML applications. By combining the actual values with metadata that describes their nature and that facilitates the handling of geometric information and gradients with respect to the atomic positions, metatensor provides a common framework to enable data sharing between ML software -- typically written in Python -- and established atomistic modeling tools -- typically written in Fortran, C or C++. The second library, metatomic, provides an interface to store an atomistic ML model and metadata about this model in a portable way, facilitating the implementation, training and distribution of models, and their use across different simulation packages. We showcase a growing ecosystem of tools, from low-level libraries, training utilities, to interfaces with existing software packages that demonstrate the effectiveness of metatensor and metatomic in bridging the gap between traditional simulation software and modern ML frameworks.

Mechanically interlocked polymers (MIPs) are a novel class of polymer structures in which the components are connected by mechanical bonds instead of covalent bonds. We measure the single-molecule rheological properties of polyrotaxanes, daisy chains, and polycatenanes under steady shear and steady uniaxial extension using coarse-grained Brownian dynamics simulations with hydrodynamic interactions. We obtain key rheological features, including tumbling dynamics, molecular extension, stress, and viscosity. By systematically varying structural features, we demonstrate how MIP topology governs flow response. Compared to linear polymers, all three MIP architectures exhibit enhanced tumbling in shear flow and lower normal stress differences in extensional flow. While polyrotaxanes show higher shear and extensional viscosities, polycatenanes and daisy chains have lower viscosities. In extensional flow, polyrotaxanes and polycatenanes extend earlier than linear polymers. We find that mechanical bonds suppress shear thinning and alter the coil-stretch transition observed in linear polymers. These effects arise from the mechanically bonded rings in MIPs, which expand the polymer profile in gradient direction and increase backbone stiffness due to ring-backbone repulsions. This study provides key insights into MIP flow properties, providing the foundation for their systematic development in engineering applications.