Daily Papers

Recovering an editable design file from a raster image is a common and costly bottleneck in modern design workflows, yet remains challenging since editability depends on recovering multi-modal attributes, such as typography, vector geometry, colors, grouping, and layer ordering. We present ReDesign, an agentic framework that grows an editable layer hierarchy by selecting and composing specialized tools across modalities. To keep this long decision process reliable despite imperfect tool outputs, we introduce graceful verification at each expansion, which provides local accept, prune, or retry feedback that prevents error accumulation and avoids large scale reruns. To evaluate editability at scale, we introduce the Figma Edit Replay Benchmark, consisting of 909 raw Figma files and 14,796 controlled edit instructions that replay edits on reconstructed outputs. Across this benchmark and standard reconstruction metrics, ReDesign achieves strong visual fidelity while delivering the highest editability across layout, color, and text edits, outperforming layered decomposition baselines and serial tool use pipelines.

Concept Design structures software systems around concepts: user-facing, self-contained units of functionality with a focused purpose. Concepts are composed into applications using synchronization rules called reactions, which specify how actions in one concept trigger actions in others. This paper first gives a formal semantics for concepts and reactions, enabling automatic verification of safety invariants in applications developed with this methodology. It then presents a CEGIS-style, LLM-driven synthesis procedure for generating reaction designs that satisfy such invariants. Because many different designs can satisfy the same invariant, we study two ways of steering synthesis toward the user's intended design: natural-language prompts and positive/negative scenarios. We also propose an LLM-driven scenario elicitation technique to support early design exploration. In an evaluation on three applications and twelve design variants using one LLM configuration, invariant-only synthesis reached verified designs quickly but often produced inconsistent designs across runs, some of which were implausible, showing that invariants alone underconstrain the design task. Scenario-guided synthesis recovered intended designs more consistently than natural-language prompting, although minimal scenarios can lead to overfitting. LLM-driven scenario elicitation, where the user classifies proposed scenarios rather than authoring them from scratch, recovered the intended designs in most variants when enough scenarios were elicited, but missed behaviors and non-determinism prevented reliable coverage in all cases.

Instruction-following is critical for large language models, but real-world instructions often contain logical structures such as sequential dependencies and conditional branching. Existing methods typically construct datasets with parallel constraints and optimize average rewards, ignoring logical dependencies and yielding noisy signals. We propose a logic-structured training framework LSRIF that explicitly models instruction logic. We first construct a dataset LSRInstruct with constraint structures such as parallel, sequential, and conditional types, and then design structure-aware rewarding method LSRIF including average aggregation for parallel structures, failure-penalty propagation for sequential structures, and selective rewards for conditional branches. Experiments show LSRIF brings significant improvements in instruction-following (in-domain and out-of-domain) and general reasoning. Analysis reveals that learning with explicit logic structures brings parameter updates in attention layers and sharpens token-level attention to constraints and logical operators.

We introduce LICA (Layered Image Composition Annotations), a large-scale dataset of 1,550,244 multi-layer graphic design compositions designed to advance structured understanding and generation of graphic layouts1. In addition to ren- dered PNG images, LICA represents each design as a hierarchical composition of typed components including text, image, vector, and group elements, each paired with rich per-element metadata such as spatial geometry, typographic attributes, opacity, and visibility. The dataset spans 20 design categories and 971,850 unique templates, providing broad coverage of real-world design structures. We further introduce graphic design video as a new and largely unexplored challenge for current vision-language models through 27,261 animated layouts annotated with per-component keyframes and motion parameters. Beyond scale, LICA establishes a new paradigm of research tasks for graphic design, enabling structured investiga- tions into problems such as layer-aware inpainting, structured layout generation, controlled design editing, and temporally-aware generative modeling. By repre- senting design as a system of compositional layers and relationships, the dataset supports research on models that operate directly on design structure rather than pixels alone.

Recent advancements in video generation have achieved impressive motion realism, yet they often overlook character-driven storytelling, a crucial task for automated film, animation generation. We introduce Talking Characters, a more realistic task to generate talking character animations directly from speech and text. Unlike talking head, Talking Characters aims at generating the full portrait of one or more characters beyond the facial region. In this paper, we propose MoCha, the first of its kind to generate talking characters. To ensure precise synchronization between video and speech, we propose a speech-video window attention mechanism that effectively aligns speech and video tokens. To address the scarcity of large-scale speech-labeled video datasets, we introduce a joint training strategy that leverages both speech-labeled and text-labeled video data, significantly improving generalization across diverse character actions. We also design structured prompt templates with character tags, enabling, for the first time, multi-character conversation with turn-based dialogue-allowing AI-generated characters to engage in context-aware conversations with cinematic coherence. Extensive qualitative and quantitative evaluations, including human preference studies and benchmark comparisons, demonstrate that MoCha sets a new standard for AI-generated cinematic storytelling, achieving superior realism, expressiveness, controllability and generalization.

Referring Multi-Object Tracking has attracted increasing attention due to its human-friendly interactive characteristics, yet it exhibits limitations in low-visibility conditions, such as nighttime, smoke, and other challenging scenarios. To overcome this limitation, we propose a new RGB-Thermal RMOT task, named RT-RMOT, which aims to fuse RGB appearance features with the illumination robustness of the thermal modality to enable all-day referring multi-object tracking. To promote research on RT-RMOT, we construct the first Referring Multi-Object Tracking dataset under RGB-Thermal modality, named RefRT. It contains 388 language descriptions, 1,250 tracked targets, and 166,147 Language-RGB-Thermal (L-RGB-T) triplets. Furthermore, we propose RTrack, a framework built upon a multimodal large language model (MLLM) that integrates RGB, thermal, and textual features. Since the initial framework still leaves room for improvement, we introduce a Group Sequence Policy Optimization (GSPO) strategy to further exploit the model's potential. To alleviate training instability during RL fine-tuning, we introduce a Clipped Advantage Scaling (CAS) strategy to suppress gradient explosion. In addition, we design Structured Output Reward and Comprehensive Detection Reward to balance exploration and exploitation, thereby improving the completeness and accuracy of target perception. Extensive experiments on the RefRT dataset demonstrate the effectiveness of the proposed RTrack framework.

Robot design aims at learning to create robots that can be easily controlled and perform tasks efficiently. Previous works on robot design have proven its ability to generate robots for various tasks. However, these works searched the robots directly from the vast design space and ignored common structures, resulting in abnormal robots and poor performance. To tackle this problem, we propose a Symmetry-Aware Robot Design (SARD) framework that exploits the structure of the design space by incorporating symmetry searching into the robot design process. Specifically, we represent symmetries with the subgroups of the dihedral group and search for the optimal symmetry in structured subgroups. Then robots are designed under the searched symmetry. In this way, SARD can design efficient symmetric robots while covering the original design space, which is theoretically analyzed. We further empirically evaluate SARD on various tasks, and the results show its superior efficiency and generalizability.

Recent text-to-CAD approaches have shown promising results by leveraging large language models, but they often struggle with maintaining structural consistency in complex designs and accurately grounding geometric parameters. To address these issues, we propose HierCAD, a hierarchical text-to-CAD framework that improves both structural reasoning and parameter prediction. HierCAD reformulates CAD generation as progressive reasoning by decomposing CAD construction trees into object-level procedural reasoning and part-level topology reasoning trajectories. To further improve generation fidelity, we introduce a unified Structure Alignment and Parameter Grounding (SAPG) learning strategy. Structure alignment aligns topology reasoning trajectories with their corresponding parametric CAD spans, while parameter grounding mitigates shortcut learning through structure-preserving parameter perturbations and ranking-based supervision. Experiments demonstrate that HierCAD outperforms prior state-of-the-art methods on both CAD sequence generation and reconstructed CAD model evaluation. Our code is available at https://github.com/Collab-Gen/HierCAD.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structured design template, incurring high learning costs and resulting in low reusability. In addition, it is not conducive to the iterative updating of prompts. Inspired by structured reusable programming languages, we propose LangGPT, a dual-layer prompt design framework as the programming language for LLMs. LangGPT has an easy-to-learn normative structure and provides an extended structure for migration and reuse. Experiments illustrate that LangGPT significantly enhances the performance of LLMs. Moreover, the case study shows that LangGPT leads LLMs to generate higher-quality responses. Furthermore, we analyzed the ease of use and reusability of LangGPT through a user survey in our online community.

Image-based fashion design with AI techniques has attracted increasing attention in recent years. We focus on a new fashion design task, where we aim to transfer a reference appearance image onto a clothing image while preserving the structure of the clothing image. It is a challenging task since there are no reference images available for the newly designed output fashion images. Although diffusion-based image translation or neural style transfer (NST) has enabled flexible style transfer, it is often difficult to maintain the original structure of the image realistically during the reverse diffusion, especially when the referenced appearance image greatly differs from the common clothing appearance. To tackle this issue, we present a novel diffusion model-based unsupervised structure-aware transfer method to semantically generate new clothes from a given clothing image and a reference appearance image. In specific, we decouple the foreground clothing with automatically generated semantic masks by conditioned labels. And the mask is further used as guidance in the denoising process to preserve the structure information. Moreover, we use the pre-trained vision Transformer (ViT) for both appearance and structure guidance. Our experimental results show that the proposed method outperforms state-of-the-art baseline models, generating more realistic images in the fashion design task. Code and demo can be found at https://github.com/Rem105-210/DiffFashion.

Game UI design requires consistent visual assets across rarity tiers yet remains a predominantly manual process. We present GameUIAgent, an LLM-powered agentic framework that translates natural language descriptions into editable Figma designs via a Design Spec JSON intermediate representation. A six-stage neuro-symbolic pipeline combines LLM generation, deterministic post-processing, and a Vision-Language Model (VLM)-guided Reflection Controller (RC) for iterative self-correction with guaranteed non-regressive quality. Evaluated across 110 test cases, three LLMs, and three UI templates, cross-model analysis establishes a game-domain failure taxonomy (rarity-dependent degradation; visual emptiness) and uncovers two key empirical findings. A Quality Ceiling Effect (Pearson r=-0.96, p<0.01) suggests that RC improvement is bounded by headroom below a quality threshold -- a visual-domain counterpart to test-time compute scaling laws. A Rendering-Evaluation Fidelity Principle reveals that partial rendering enhancements paradoxically degrade VLM evaluation by amplifying structural defects. Together, these results establish foundational principles for LLM-driven visual generation agents in game production.

Vision-Language-Action (VLA) models have demonstrated strong capabilities in robotic manipulation by integrating visual perception, language understanding, and robot action generation. Existing research has primarily focused on improving model architectures, training strategies, and dataset scale, while little attention has been paid to how demonstrations are collected and organized. We identify demonstration organization as a fundamental yet overlooked aspect of imitation learning, as it directly affects policy learning efficiency, training stability, and policy generalization. To address this gap, we propose a simple-to-complex structured demonstration collection strategy for VLA learning using a dual-arm robotic platform. Our approach systematically organizes data through three general principles: (i) decomposing complex manipulation tasks into progressively learnable sub-skills, (ii) standardizing the interaction environment to reduce unnecessary variability, and (iii) organizing demonstrations according to progressively increasing task complexity. This structured design enables VLA models to first acquire fundamental manipulation skills before learning increasingly complex task compositions, facilitating more effective learning of long-horizon manipulation tasks. We evaluate the proposed strategy on two representative robotic manipulation tasks: block grasping and sorting, and towel folding. Experimental results show consistent improvements in task success rate and training stability compared with the baseline method of directly collecting end-to-end complete task trajectories. These findings highlight demonstration organization as a previously underexplored but important factor in VLA learning and provide practical insights into efficient skill acquisition, scalable dataset construction, and long-horizon robotic manipulation.

Large language model (LLM) agents have demonstrated strong capabilities across diverse domains. However, designing high-performing agentic systems remains challenging. Existing agent search methods suffer from three major limitations: (1) an emphasis on optimizing agentic workflows while under-utilizing proven human-designed components such as memory, planning, and tool use; (2) high evaluation costs, as each newly generated agent must be fully evaluated on benchmarks; and (3) inefficient search in large search space. In this work, we introduce a comprehensive framework to address these challenges. First, We propose a hierarchical search space that jointly models agentic workflow and composable functional components, enabling richer agentic system designs. Building on this structured design space, we introduce a predictive value model that estimates agent performance given agentic system and task description, allowing for efficient, low-cost evaluation during the search process. Finally, we present a hierarchical Monte Carlo Tree Search (MCTS) strategy informed by uncertainty to guide the search. Experiments on seven benchmarks, covering embodied, math, web, tool, and game, show that our method achieves an average performance gain of 8.34\% over state-of-the-art baselines and exhibits faster search progress with steeper improvement trajectories. Code repo is available at https://github.com/Ericccc02/AgentSwift.

Building credible simulators from data is difficult because structure design, parameter calibration, and out-of-distribution (OOD) robustness are tightly coupled. We introduce SOCIA (Simulation Orchestration for Computational Intelligence with Agents), a framework that treats simulator construction as joint structure-parameter co-optimization: it elicits mechanism-rich blueprints, exposes explicit tunable parameters, and instantiates a calibration schema, producing an executable simulator with built-in calibration hooks. SOCIA couples Bayesian Optimization for sample-efficient point calibration with Simulation-Based Inference for uncertainty-aware fitting; diagnostics trigger targeted structural edits in an outer refinement loop to co-optimize design and parameters under tight budgets. Across three diverse tasks, SOCIA consistently outperforms strong baselines, excelling on both in-distribution (ID) fitting and OOD shift. Ablations that weaken structure, calibration design, or tuning yield near-monotone degradations, underscoring the necessity of unified structure-parameter optimization. We will release the code soon.

Large Language Models are increasingly being deployed to extract structured data from unstructured and semi-structured sources: parsing invoices, medical records, and converting PDF documents to database entries. Yet existing benchmarks for structured output generation either focus on schema compliance alone, or evaluate value correctness within a single source domain. We introduce SOB (The Structured Output Benchmark), a multi-source benchmark spanning three source modalities: native text, images, and audio conversations. All models receive a text-normalized representation of their context regardless of source modality; this deliberate design isolates structured-output capability from raw vision or speech-processing quality, ensuring a fair, source-agnostic comparison. Our benchmark comprises 5,000 text evaluation records derived from multi-hop QA drawn from a 25,091-record full corpus, 209 image records from OCR-processed PDFs across seven document types including multi-column layouts, dense tables, scanned historical documents, small-print text, and mathematical typesetting, and 115 audio records from the AMI corpus. Each record pairs a natural-language question with a JSON schema that the model must follow and a ground-truth answer verified against the source context. We evaluate 21 frontier and open-weight models across three source domains and seven metrics. Our results reveal a consistent pattern: models achieve near-perfect schema compliance, yet the best Value Accuracy, measured by exact leaf-value match, reaches only 83.0% on text, 67.2% on images, and 23.7% on audio, where longer context makes extraction substantially harder. We release the dataset, evaluation pipeline, and all related code.

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

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

Neural video codecs (NVCs), leveraging the power of end-to-end learning, have demonstrated remarkable coding efficiency improvements over traditional video codecs. Recent research has begun to pay attention to the quality structures in NVCs, optimizing them by introducing explicit hierarchical designs. However, less attention has been paid to the reference structure design, which fundamentally should be aligned with the hierarchical quality structure. In addition, there is still significant room for further optimization of the hierarchical quality structure. To address these challenges in NVCs, we propose EHVC, an efficient hierarchical neural video codec featuring three key innovations: (1) a hierarchical multi-reference scheme that draws on traditional video codec design to align reference and quality structures, thereby addressing the reference-quality mismatch; (2) a lookahead strategy to utilize an encoder-side context from future frames to enhance the quality structure; (3) a layer-wise quality scale with random quality training strategy to stabilize quality structures during inference. With these improvements, EHVC achieves significantly superior performance to the state-of-the-art NVCs. Code will be released in: https://github.com/bytedance/NEVC.

Recent technological advances, especially in the field of machine learning, provide astonishing progress on the road towards artificial general intelligence. However, tasks in current real-world business applications cannot yet be solved by machines alone. We, therefore, identify the need for developing socio-technological ensembles of humans and machines. Such systems possess the ability to accomplish complex goals by combining human and artificial intelligence to collectively achieve superior results and continuously improve by learning from each other. Thus, the need for structured design knowledge for those systems arises. Following a taxonomy development method, this article provides three main contributions: First, we present a structured overview of interdisciplinary research on the role of humans in the machine learning pipeline. Second, we envision hybrid intelligence systems and conceptualize the relevant dimensions for system design for the first time. Finally, we offer useful guidance for system developers during the implementation of such applications.

The Mixture-of-Experts (MoE) structure scales the Transformer-based large language models (LLMs) and improves their performance with only the sub-linear increase in computation resources. Recently, a fine-grained DeepSeekMoE structure is proposed, which can further improve the computing efficiency of MoE without performance degradation. However, the All-to-All communication introduced by MoE has become a bottleneck, especially for the fine-grained structure, which typically involves and activates more experts, hence contributing to heavier communication overhead. In this paper, we propose a novel MoE structure named BigMac, which is also fine-grained but with high communication efficiency. The innovation of BigMac is mainly due to that we abandon the communicate-descend-ascend-communicate (CDAC) manner used by fine-grained MoE, which leads to the All-to-All communication always taking place at the highest dimension. Instead, BigMac designs an efficient descend-communicate-communicate-ascend (DCCA) manner. Specifically, we add a descending and ascending projection at the entrance and exit of the expert, respectively, which enables the communication to perform at a very low dimension. Furthermore, to adapt to DCCA, we re-design the structure of small experts, ensuring that the expert in BigMac has enough complexity to address tokens. Experimental results show that BigMac achieves comparable or even better model quality than fine-grained MoEs with the same number of experts and a similar number of total parameters. Equally importantly, BigMac reduces the end-to-end latency by up to 3.09times for training and increases the throughput by up to 3.11times for inference on state-of-the-art AI computing frameworks including Megatron, Tutel, and DeepSpeed-Inference.

Although recent 3D-native generators have made great progress in synthesizing reliable geometry, they still fall short in achieving realistic appearances. A key obstacle lies in the lack of diverse and high-quality real-world 3D assets with rich texture details, since capturing such data is intrinsically difficult due to the diverse scales of scenes, non-rigid motions of objects, and the limited precision of 3D scanners. We introduce Photo3D, a framework for advancing photorealistic 3D generation, which is driven by the image data generated by the GPT-4o-Image model. Considering that the generated images can distort 3D structures due to their lack of multi-view consistency, we design a structure-aligned multi-view synthesis pipeline and construct a detail-enhanced multi-view dataset paired with 3D geometry. Building on it, we present a realistic detail enhancement scheme that leverages perceptual feature adaptation and semantic structure matching to enforce appearance consistency with realistic details while preserving the structural consistency with the 3D-native geometry. Our scheme is general to different 3D-native generators, and we present dedicated training strategies to facilitate the optimization of geometry-texture coupled and decoupled 3D-native generation paradigms. Experiments demonstrate that Photo3D generalizes well across diverse 3D-native generation paradigms and achieves state-of-the-art photorealistic 3D generation performance.

Existing text-to-image models often rely on parameter fine-tuning techniques such as Low-Rank Adaptation (LoRA) to customize visual attributes. However, when combining multiple LoRA models for content-style fusion tasks, unstructured modifications of weight matrices often lead to undesired feature entanglement between content and style attributes. We propose QR-LoRA, a novel fine-tuning framework leveraging QR decomposition for structured parameter updates that effectively separate visual attributes. Our key insight is that the orthogonal Q matrix naturally minimizes interference between different visual features, while the upper triangular R matrix efficiently encodes attribute-specific transformations. Our approach fixes both Q and R matrices while only training an additional task-specific Delta R matrix. This structured design reduces trainable parameters to half of conventional LoRA methods and supports effective merging of multiple adaptations without cross-contamination due to the strong disentanglement properties between Delta R matrices. Experiments demonstrate that QR-LoRA achieves superior disentanglement in content-style fusion tasks, establishing a new paradigm for parameter-efficient, disentangled fine-tuning in generative models.

Diffusion models have significant advantages in the field of real-world video super-resolution and have demonstrated strong performance in past research. In recent diffusion-based video super-resolution (VSR) models, the number of sampling steps has been reduced to just one, yet there remains significant room for further optimization in inference efficiency. In this paper, we propose FastVSR, which achieves substantial reductions in computational cost by implementing a high compression VAE (spatial compression ratio of 16, denoted as f16). We design the structure of the f16 VAE and introduce a stable training framework. We employ pixel shuffle and channel replication to achieve additional upsampling. Furthermore, we propose a lower-bound-guided training strategy, which introduces a simpler training objective as a lower bound for the VAE's performance. It makes the training process more stable and easier to converge. Experimental results show that FastVSR achieves speedups of 111.9 times compared to multi-step models and 3.92 times compared to existing one-step models. We will release code and models at https://github.com/JianzeLi-114/FastVSR.

Enlarging the context window of large language models (LLMs) has become a crucial research area, particularly for applications involving extremely long texts. In this work, we propose a novel training-free framework for processing long texts, utilizing a divide-and-conquer strategy to achieve comprehensive document understanding. The proposed LLMtimesMapReduce framework splits the entire document into several chunks for LLMs to read and then aggregates the intermediate answers to produce the final output. The main challenge for divide-and-conquer long text processing frameworks lies in the risk of losing essential long-range information when splitting the document, which can lead the model to produce incomplete or incorrect answers based on the segmented texts. Disrupted long-range information can be classified into two categories: inter-chunk dependency and inter-chunk conflict. We design a structured information protocol to better cope with inter-chunk dependency and an in-context confidence calibration mechanism to resolve inter-chunk conflicts. Experimental results demonstrate that LLMtimesMapReduce can outperform representative open-source and commercial long-context LLMs, and is applicable to several different models.

Recent advancements in Large Language Models(LLMs) have demonstrated their capabilities not only in reasoning but also in invoking external tools, particularly search engines. However, teaching models to discern when to invoke search and when to rely on their internal knowledge remains a significant challenge. Existing reinforcement learning approaches often lead to redundant search behaviors, resulting in inefficiencies and over-cost. In this paper, we propose SEM, a novel post-training reinforcement learning framework that explicitly trains LLMs to optimize search usage. By constructing a balanced dataset combining MuSiQue and MMLU, we create scenarios where the model must learn to distinguish between questions it can answer directly and those requiring external retrieval. We design a structured reasoning template and employ Group Relative Policy Optimization(GRPO) to post-train the model's search behaviors. Our reward function encourages accurate answering without unnecessary search while promoting effective retrieval when needed. Experimental results demonstrate that our method significantly reduces redundant search operations while maintaining or improving answer accuracy across multiple challenging benchmarks. This framework advances the model's reasoning efficiency and extends its capability to judiciously leverage external knowledge.

Partial differential equations (PDEs) are widely used to model complex physical systems, but solving them efficiently remains a significant challenge. Recently, Transformers have emerged as the preferred architecture for PDEs due to their ability to capture intricate dependencies. However, they struggle with representing continuous dynamics and long-range interactions. To overcome these limitations, we introduce the Mamba Neural Operator (MNO), a novel framework that enhances neural operator-based techniques for solving PDEs. MNO establishes a formal theoretical connection between structured state-space models (SSMs) and neural operators, offering a unified structure that can adapt to diverse architectures, including Transformer-based models. By leveraging the structured design of SSMs, MNO captures long-range dependencies and continuous dynamics more effectively than traditional Transformers. Through extensive analysis, we show that MNO significantly boosts the expressive power and accuracy of neural operators, making it not just a complement but a superior framework for PDE-related tasks, bridging the gap between efficient representation and accurate solution approximation. Our code is available on https://github.com/Math-ML-X/Mamba-Neural-Operator

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

Across millennia, complex societies have faced the same coordination problem of how to organize collective action among cognitively bounded and informationally incomplete individuals. Different civilizations developed different political institutions to answer the same basic questions of who proposes, who reviews, who executes, and how errors are corrected. We argue that multi-agent systems built on large language models face the same challenge. Their central problem is not only individual intelligence, but collective organization. Historical institutions therefore provide a structured design space for multi-agent architectures, making key trade-offs between efficiency and error correction, centralization and distribution, and specialization and redundancy empirically testable. We translate seven historical political institutions, spanning four canonical governance patterns, into executable multi-agent architectures and evaluate them under identical conditions across three large language models and two benchmarks. We find that governance topology strongly shapes collective performance. Within a single model, the gap between the best and worst institution exceeds 57 percentage points, while the optimal architecture shifts systematically with model capability and task characteristics. These results suggest that collective intelligence will not advance through a single optimal organizational form, but through governance mechanisms that can be reselected and reconfigured as tasks and capabilities evolve. More broadly, this points to a transition from self-evolving agents to the self-evolving multi-agent system. The code is available on https://github.com/cf3i/SocialSystemArena{GitHub}.

Large language models (LLMs) have recently advanced text-driven 3D generation, yet Text-to-CAD remains far from supporting industrial product design. Existing benchmarks focus primarily on generating single-part CAD models and evaluate them using geometric similarity metrics that fail to capture functionality, manufacturability, and assemblability. To address this gap, we introduce MUSE, a Text-to-CAD benchmark focused on complex, editable boundary representation (B-Rep) assemblies. MUSE pairs practical design instances with structured Design Specifications and evaluates generated models through a three-stage protocol: code check, geometric check, and design-intent alignment. The final stage uses design-specific rubrics to assess functionality, manufacturability, and assemblability, moving beyond shape matching toward practical design quality. To enable scalable evaluation, we use a rubric-based visual language model (VLM) judge and validate its reliability through human annotation. Experiments on closed-source and open-source LLMs reveal a clear failure cascade from executable code to valid geometry and finally to engineering-ready design, with even the strongest models achieving limited success on fine-grained engineering criteria. Together, MUSE provides a realistic benchmark and evaluation framework for advancing Text-to-CAD from geometric generation toward true engineering design. Our project website, including the leaderboard, dataset, and code, is available at https://dong7313.github.io/muse-benchmark/.

Foundation models for single-cell RNA sequencing (scRNA-seq) have shown promising capabilities in capturing gene expression patterns. However, current approaches face critical limitations: they ignore biological prior knowledge encoded in gene regulatory relationships and fail to leverage multi-omics signals that could provide complementary regulatory insights. In this paper, we propose GRNFormer, a new framework that systematically integrates multi-scale Gene Regulatory Networks (GRNs) inferred from multi-omics data into RNA foundation model training. Our framework introduces two key innovations. First, we introduce a pipeline for constructing hierarchical GRNs that capture regulatory relationships at both cell-type-specific and cell-specific resolutions. Second, we design a structure-aware integration framework that addresses the information asymmetry in GRNs through two technical advances: (1) A graph topological adapter using multi-head cross-attention to weight regulatory relationships dynamically, and (2) a novel edge perturbation strategy that perturb GRNs with biologically-informed co-expression links to augment graph neural network training. Comprehensive experiments have been conducted on three representative downstream tasks across multiple model architectures to demonstrate the effectiveness of GRNFormer. It achieves consistent improvements over state-of-the-art (SoTA) baselines: 3.6% increase in drug response prediction correlation, 9.6% improvement in single-cell drug classification AUC, and 1.1% average gain in gene perturbation prediction accuracy.

Tables are pervasive in diverse documents, making table recognition (TR) a fundamental task in document analysis. Existing modular TR pipelines separately model table structure and content, leading to suboptimal integration and complex workflows. End-to-end approaches rely heavily on large-scale TR data and struggle in data-constrained scenarios. To address these issues, we propose TDATR (Table Detail-Aware Table Recognition) improves end-to-end TR through table detail-aware learning and cell-level visual alignment. TDATR adopts a ``perceive-then-fuse'' strategy. The model first performs table detail-aware learning to jointly perceive table structure and content through multiple structure understanding and content recognition tasks designed under a language modeling paradigm. These tasks can naturally leverage document data from diverse scenarios to enhance model robustness. The model then integrates implicit table details to generate structured HTML outputs, enabling more efficient TR modeling when trained with limited data. Furthermore, we design a structure-guided cell localization module integrated into the end-to-end TR framework, which efficiently locates cell and strengthens vision-language alignment. It enhances the interpretability and accuracy of TR. We achieve state-of-the-art or highly competitive performance on seven benchmarks without dataset-specific fine-tuning.

Segment Anything Model 3 (SAM3) has advanced open-vocabulary segmentation through promptable concept segmentation, allowing users to segment all instances corresponding to a given concept, typically specified with short noun-phrase (NP) prompts. While this marks the first integration of language-level concepts within the SAM family, real-world usage typically requires far richer expressions that include attributes, spatial relations, functionalities, actions, states, and even implicit reasoning over instances. Currently, SAM3 relies on external multi-modal agents to convert complex instructions into NPs and then conduct iterative mask filtering. However, these NP-level concepts remain overly coarse, often failing to precisely represent a specific instance. In this work, we present SAM3-I, an enhanced framework that unifies concept-level understanding and instruction-level reasoning within the SAM family. SAM3-I introduces an instruction-aware cascaded adaptation mechanism that progressively aligns expressive instruction semantics with SAM3's existing vision-language representations, enabling direct instruction-following segmentation without sacrificing its original concept-driven capabilities. Furthermore, we design a structured instruction taxonomy spanning concept, simple, and complex levels, and develop a scalable data engine to construct a dataset with diverse instruction-mask pairs. Experiments show that SAM3-I delivers appealing performance, demonstrating that SAM3 can be effectively extended to follow natural-language instructions while preserving its strong concept grounding. We open-source SAM3-I and provide practical fine-tuning workflows, enabling researchers to adapt it to domain-specific applications. The source code is available here.

Training multiple tasks jointly in one deep network yields reduced latency during inference and better performance over the single-task counterpart by sharing certain layers of a network. However, over-sharing a network could erroneously enforce over-generalization, causing negative knowledge transfer across tasks. Prior works rely on human intuition or pre-computed task relatedness scores for ad hoc branching structures. They provide sub-optimal end results and often require huge efforts for the trial-and-error process. In this work, we present an automated multi-task learning algorithm that learns where to share or branch within a network, designing an effective network topology that is directly optimized for multiple objectives across tasks. Specifically, we propose a novel tree-structured design space that casts a tree branching operation as a gumbel-softmax sampling procedure. This enables differentiable network splitting that is end-to-end trainable. We validate the proposed method on controlled synthetic data, CelebA, and Taskonomy.

Recently, many generative models for de novo protein structure design have emerged. Yet, only few tackle the difficult task of directly generating fully atomistic structures jointly with the underlying amino acid sequence. This is challenging, for instance, because the model must reason over side chains that change in length during generation. We introduce La-Proteina for atomistic protein design based on a novel partially latent protein representation: coarse backbone structure is modeled explicitly, while sequence and atomistic details are captured via per-residue latent variables of fixed dimensionality, thereby effectively side-stepping challenges of explicit side-chain representations. Flow matching in this partially latent space then models the joint distribution over sequences and full-atom structures. La-Proteina achieves state-of-the-art performance on multiple generation benchmarks, including all-atom co-designability, diversity, and structural validity, as confirmed through detailed structural analyses and evaluations. Notably, La-Proteina also surpasses previous models in atomistic motif scaffolding performance, unlocking critical atomistic structure-conditioned protein design tasks. Moreover, La-Proteina is able to generate co-designable proteins of up to 800 residues, a regime where most baselines collapse and fail to produce valid samples, demonstrating La-Proteina's scalability and robustness.

Graphical user interface (GUI) agents are rapidly progressing toward autonomous interaction and reliable task execution across diverse applications. However, two central challenges remain unresolved: automating the evaluation of agent trajectories and generating high-quality training data at scale to enable continual improvement. Existing approaches often depend on manual annotation or static rule-based verification, which restricts scalability and limits adaptability in dynamic environments. We present MagicGUI-RMS, a multi-agent reward model system that delivers adaptive trajectory evaluation, corrective feedback, and self-evolving learning capabilities. MagicGUI-RMS integrates a Domain-Specific Reward Model (DS-RM) with a General-Purpose Reward Model (GP-RM), enabling fine-grained action assessment and robust generalization across heterogeneous GUI tasks. To support reward learning at scale, we design a structured data construction pipeline that automatically produces balanced and diverse reward datasets, effectively reducing annotation costs while maintaining sample fidelity. During execution, the reward model system identifies erroneous actions, proposes refined alternatives, and continuously enhances agent behavior through an automated data-reflux mechanism. Extensive experiments demonstrate that MagicGUI-RMS yields substantial gains in task accuracy, behavioral robustness. These results establish MagicGUI-RMS as a principled and effective foundation for building self-improving GUI agents driven by reward-based adaptation.

FullSubNet is our recently proposed real-time single-channel speech enhancement network that achieves outstanding performance on the Deep Noise Suppression (DNS) Challenge dataset. A number of variants of FullSubNet have been proposed, but they all focus on the structure design towards better performance and are rarely concerned with computational efficiency. For many speech enhancement applications, a key feature is that system runs on a real-time, latency-sensitive, battery-powered platform, which strictly limits the algorithm latency and computational complexity. In this work, we propose a new architecture named Fast FullSubNet dedicated to accelerating the computation of FullSubNet. Specifically, Fast FullSubNet processes sub-band speech spectra in the mel-frequency domain by using cascaded linear-to-mel full-band, sub-band, and mel-to-linear full-band models such that frequencies involved in the sub-band computation are vastly reduced. After that, a down-sampling operation is proposed for the sub-band input sequence to further reduce the computational complexity along the time axis. Experimental results show that, compared to FullSubNet, Fast FullSubNet has only 13\% computational complexity and 16\% processing time, and achieves comparable or even better performance. Code and audio samples are available at https://github.com/Audio-WestlakeU/FullSubNet.

Relighting is a crucial task with both practical demand and artistic value, and recent diffusion models have shown strong potential by enabling rich and controllable lighting effects. However, as they are typically optimized in semantic latent space, where proximity does not guarantee physical correctness in visual space, they often produce unrealistic results, such as overexposed highlights, misaligned shadows, and incorrect occlusions. We address this with UniLumos, a unified relighting framework for both images and videos that brings RGB-space geometry feedback into a flow matching backbone. By supervising the model with depth and normal maps extracted from its outputs, we explicitly align lighting effects with the scene structure, enhancing physical plausibility. Nevertheless, this feedback requires high-quality outputs for supervision in visual space, making standard multi-step denoising computationally expensive. To mitigate this, we employ path consistency learning, allowing supervision to remain effective even under few-step training regimes. To enable fine-grained relighting control and supervision, we design a structured six-dimensional annotation protocol capturing core illumination attributes. Building upon this, we propose LumosBench, a disentangled attribute-level benchmark that evaluates lighting controllability via large vision-language models, enabling automatic and interpretable assessment of relighting precision across individual dimensions. Extensive experiments demonstrate that UniLumos achieves state-of-the-art relighting quality with significantly improved physical consistency, while delivering a 20x speedup for both image and video relighting. Code is available at https://github.com/alibaba-damo-academy/Lumos-Custom.

Recent progress in generative models has significantly improved image restoration capabilities, particularly through powerful diffusion models that offer remarkable recovery of semantic details and local fidelity. However, deploying these models at ultra-high resolutions faces a critical trade-off between quality and efficiency due to the computational demands of long-range attention mechanisms. To address this, we introduce ZipIR, a novel framework that enhances efficiency, scalability, and long-range modeling for high-res image restoration. ZipIR employs a highly compressed latent representation that compresses image 32x, effectively reducing the number of spatial tokens, and enabling the use of high-capacity models like the Diffusion Transformer (DiT). Toward this goal, we propose a Latent Pyramid VAE (LP-VAE) design that structures the latent space into sub-bands to ease diffusion training. Trained on full images up to 2K resolution, ZipIR surpasses existing diffusion-based methods, offering unmatched speed and quality in restoring high-resolution images from severely degraded inputs.

Molecule generation with desired properties has grown immensely in popularity by disruptively changing the way scientists design molecular structures and providing support for chemical and materials design. However, despite the promising outcome, previous machine learning-based deep generative models suffer from a reliance on complex, task-specific fine-tuning, limited dimensional latent spaces, or the quality of expert rules. In this work, we propose MolGen, a pre-trained molecular language model that effectively learns and shares knowledge across multiple generation tasks and domains. Specifically, we pre-train MolGen with the chemical language SELFIES on more than 100 million unlabelled molecules. We further propose multi-task molecular prefix tuning across several molecular generation tasks and different molecular domains (synthetic & natural products) with a self-feedback mechanism. Extensive experiments show that MolGen can obtain superior performances on well-known molecular generation benchmark datasets. The further analysis illustrates that MolGen can accurately capture the distribution of molecules, implicitly learn their structural characteristics, and efficiently explore the chemical space with the guidance of multi-task molecular prefix tuning. Codes, datasets, and the pre-trained model will be available in https://github.com/zjunlp/MolGen.

We propose a novel family of language models, Latent-Thought Language Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors, and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional LLMs, yielding a structured design space. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to conventional autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model and latent size, and achieve competitive performance in conditional and unconditional text generation.

Vision-language-action models have emerged as a crucial paradigm in robotic manipulation. However, existing VLA models exhibit notable limitations in handling ambiguous language instructions and unknown environmental states. Furthermore, their perception is largely constrained to static two-dimensional observations, lacking the capability to model three-dimensional interactions between the robot and its environment. To address these challenges, this paper proposes GraphCoT-VLA, an efficient end-to-end model. To enhance the model's ability to interpret ambiguous instructions and improve task planning, we design a structured Chain-of-Thought reasoning module that integrates high-level task understanding and planning, failed task feedback, and low-level imaginative reasoning about future object positions and robot actions. Additionally, we construct a real-time updatable 3D Pose-Object graph, which captures the spatial configuration of robot joints and the topological relationships between objects in 3D space, enabling the model to better understand and manipulate their interactions. We further integrates a dropout hybrid reasoning strategy to achieve efficient control outputs. Experimental results across multiple real-world robotic tasks demonstrate that GraphCoT-VLA significantly outperforms existing methods in terms of task success rate and response speed, exhibiting strong generalization and robustness in open environments and under uncertain instructions.

The Cambrian explosion of easily accessible pre-trained diffusion models suggests a demand for methods that combine multiple different pre-trained diffusion models without incurring the significant computational burden of re-training a larger combined model. In this paper, we cast the problem of combining multiple pre-trained diffusion models at the generation stage under a novel proposed framework termed superposition. Theoretically, we derive superposition from rigorous first principles stemming from the celebrated continuity equation and design two novel algorithms tailor-made for combining diffusion models in SuperDiff. SuperDiff leverages a new scalable It\^o density estimator for the log likelihood of the diffusion SDE which incurs no additional overhead compared to the well-known Hutchinson's estimator needed for divergence calculations. We demonstrate that SuperDiff is scalable to large pre-trained diffusion models as superposition is performed solely through composition during inference, and also enjoys painless implementation as it combines different pre-trained vector fields through an automated re-weighting scheme. Notably, we show that SuperDiff is efficient during inference time, and mimics traditional composition operators such as the logical OR and the logical AND. We empirically demonstrate the utility of using SuperDiff for generating more diverse images on CIFAR-10, more faithful prompt conditioned image editing using Stable Diffusion, and improved unconditional de novo structure design of proteins. https://github.com/necludov/super-diffusion

Multimodal large language models can write code to produce complex programs as well as use programs to do 3D modeling, which opens up a new avenue for 3D generation powered by their priors, world knowledge and reasoning. Yet existing benchmarks rarely evaluate 3D modeling through code. Such modeling demands more than runnable code: from a text or visual specification, a model must generate a parametric 3D program that is geometrically precise, semantically aligned and assembly-consistent. We introduce P3D-Bench, a benchmark for parametric 3D generation. Unlike a 3D mesh, a parametric 3D program exposes explicit dimensions, construction operations and part relations, revealing whether a model recovers a design's structure, not just its appearance. Under a unified protocol, P3D-Bench covers three task families (Text-to-3D, Image-to-3D and Assembly-3D) and scores each output for executability, geometric fidelity, topology, text-grounded constraints, multiview semantic alignment and part-level structure. We evaluate frontier MLLMs and text-only LLMs on 400 text cases, 400 image cases and 203 annotated assemblies, with domain-specific models as reference points. Our extensive evaluation yields three findings. First, assemblies are the hardest setting, where models still fail to compose multiple parts into a coherent structure. Second, models can often recover the global shape and semantic identity of the target object, yet fail to reproduce the precise parametric geometry specified by the input. Third, part-level modeling remains weak on assemblies, where models recover neither the geometry of each part nor the right number of parts. These results position P3D-Bench as a benchmark for evaluating precise parametric geometry and part-level structure in parametric 3D generation.

Multi-turn problem solving is critical yet challenging for Large Reasoning Models (LRMs) to reflect on their reasoning and revise from feedback. Existing Reinforcement Learning (RL) methods train large reasoning models on a single-turn paradigm with verifiable rewards. However, we observe that models trained with existing RL paradigms often lose their ability to solve problems across multiple turns and struggle to revise answers based on contextual feedback, leading to repetitive responses. We ask: can LRMs learn to reflect their answers in a multi-turn context? In this work, we find that training models with multi-turn RL using only unary feedback (e.g., "Let's try again") after wrong answers can improve both single-turn performance and multi-turn reasoning. We introduce Unary Feedback as Observation (UFO) for reinforcement learning, which uses minimal yet common unary user feedback during iterative problem solving. It can be easily applied to existing single-turn RL training setups. Experimental results show that RL training with UFO keeps single-turn performance and improves multi-turn reasoning accuracy by up to 14%, enabling language models to better react to feedback in multi-turn problem solving. To further minimize the number of turns needed for a correct answer while encouraging diverse reasoning when mistakes occur, we design reward structures that guide models to produce careful and deliberate answers in each turn. Code: https://github.com/lichengliu03/unary-feedback

Computer-Aided Design (CAD) plays a vital role in engineering and manufacturing, yet current CAD workflows require extensive domain expertise and manual modeling effort. Recent advances in large language models (LLMs) have made it possible to generate code from natural language, opening new opportunities for automating parametric 3D modeling. However, directly translating human design intent into executable CAD code remains highly challenging, due to the need for logical reasoning, syntactic correctness, and numerical precision. In this work, we propose CAD-RL, a multimodal Chain-of-Thought (CoT) guided reinforcement learning post training framework for CAD modeling code generation. Our method combines CoT-based Cold Start with goal-driven reinforcement learning post training using three task-specific rewards: executability reward, geometric accuracy reward, and external evaluation reward. To ensure stable policy learning under sparse and high-variance reward conditions, we introduce three targeted optimization strategies: Trust Region Stretch for improved exploration, Precision Token Loss for enhanced dimensions parameter accuracy, and Overlong Filtering to reduce noisy supervision. To support training and benchmarking, we release ExeCAD, a noval dataset comprising 16,540 real-world CAD examples with paired natural language and structured design language descriptions, executable CADQuery scripts, and rendered 3D models. Experiments demonstrate that CAD-RL achieves significant improvements in reasoning quality, output precision, and code executability over existing VLMs.

The growing importance of textual and relational systems has driven interest in enhancing large language models (LLMs) for graph-structured data, particularly Text-Attributed Graphs (TAGs), where samples are represented by textual descriptions interconnected by edges. While research has largely focused on developing specialized graph LLMs through task-specific instruction tuning, a comprehensive benchmark for evaluating LLMs solely through prompt design remains surprisingly absent. Without such a carefully crafted evaluation benchmark, most if not all, tailored graph LLMs are compared against general LLMs using simplistic queries (e.g., zero-shot reasoning with LLaMA), which can potentially camouflage many advantages as well as unexpected predicaments of them. To achieve more general evaluations and unveil the true potential of LLMs for graph tasks, we introduce Graph In-context Learning (GraphICL) Benchmark, a comprehensive benchmark comprising novel prompt templates designed to capture graph structure and handle limited label knowledge. Our systematic evaluation shows that general-purpose LLMs equipped with our GraphICL outperform state-of-the-art specialized graph LLMs and graph neural network models in resource-constrained settings and out-of-domain tasks. These findings highlight the significant potential of prompt engineering to enhance LLM performance on graph learning tasks without training and offer a strong baseline for advancing research in graph LLMs.

Data inconsistency leads to a slow training process when deep neural networks are used for the inverse design of photonic devices, an issue that arises from the fundamental property of non-uniqueness in all inverse scattering problems. Here we show that by combining forward modeling and inverse design in a tandem architecture, one can overcome this fundamental issue, allowing deep neural networks to be effectively trained by data sets that contain non-unique electromagnetic scattering instances. This paves the way for using deep neural networks to design complex photonic structures that requires large training sets.

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

Evolution is an extraordinary engine for enzymatic diversity, yet the chemistry it has explored remains a narrow slice of what DNA can encode. Deep generative models can design new proteins that bind ligands, but none have created enzymes without pre-specifying catalytic residues. We introduce DISCO (DIffusion for Sequence-structure CO-design), a multimodal model that co-designs protein sequence and 3D structure around arbitrary biomolecules, as well as inference-time scaling methods that optimize objectives across both modalities. Conditioned solely on reactive intermediates, DISCO designs diverse heme enzymes with novel active-site geometries. These enzymes catalyze new-to-nature carbene-transfer reactions, including alkene cyclopropanation, spirocyclopropanation, B-H, and C(sp^3)-H insertions, with high activities exceeding those of engineered enzymes. Random mutagenesis of a selected design further confirmed that enzyme activity can be improved through directed evolution. By providing a scalable route to evolvable enzymes, DISCO broadens the potential scope of genetically encodable transformations. Code is available at https://github.com/DISCO-design/DISCO.

The rapid evolution of Large Language Models (LLM) and subsequent Agentic AI technologies requires systematic architectural guidance for building sophisticated, production-grade systems. This paper presents an approach for architecting such systems using design patterns derived from enterprise distributed systems standards, formal methods, and industry practice. We classify these patterns into three tiers: LLM Agents (task-specific automation), Agentic AI (adaptive goal-seekers), and Agentic Communities (organizational frameworks where AI agents and human participants coordinate through formal roles, protocols, and governance structures). We focus on Agentic Communities - coordination frameworks encompassing LLM Agents, Agentic AI entities, and humans - most relevant for enterprise and industrial applications. Drawing on established coordination principles from distributed systems, we ground these patterns in a formal framework that specifies collaboration agreements where AI agents and humans fill roles within governed ecosystems. This approach provides both practical guidance and formal verification capabilities, enabling expression of organizational, legal, and ethical rules through accountability mechanisms that ensure operational and verifiable governance of inter-agent communication, negotiation, and intent modeling. We validate this framework through a clinical trial matching case study. Our goal is to provide actionable guidance to practitioners while maintaining the formal rigor essential for enterprise deployment in dynamic, multi-agent ecosystems.

Film set design plays a pivotal role in cinematic storytelling and shaping the visual atmosphere. However, the traditional process depends on expert-driven manual modeling, which is labor-intensive and time-consuming. To address this issue, we introduce FilmSceneDesigner, an automated scene generation system that emulates professional film set design workflow. Given a natural language description, including scene type, historical period, and style, we design an agent-based chaining framework to generate structured parameters aligned with film set design workflow, guided by prompt strategies that ensure parameter accuracy and coherence. On the other hand, we propose a procedural generation pipeline which executes a series of dedicated functions with the structured parameters for floorplan and structure generation, material assignment, door and window placement, and object retrieval and layout, ultimately constructing a complete film scene from scratch. Moreover, to enhance cinematic realism and asset diversity, we construct SetDepot-Pro, a curated dataset of 6,862 film-specific 3D assets and 733 materials. Experimental results and human evaluations demonstrate that our system produces structurally sound scenes with strong cinematic fidelity, supporting downstream tasks such as virtual previs, construction drawing and mood board creation.

Infographics are an aesthetic visual representation of information following specific design principles of human perception. Designing infographics can be a tedious process for non-experts and time-consuming, even for professional designers. With the help of designers, we propose a semi-automated infographic framework for general structured and flow-based infographic design generation. For novice designers, our framework automatically creates and ranks infographic designs for a user-provided text with no requirement for design input. However, expert designers can still provide custom design inputs to customize the infographics. We will also contribute an individual visual group (VG) designs dataset (in SVG), along with a 1k complete infographic image dataset with segmented VGs in this work. Evaluation results confirm that by using our framework, designers from all expertise levels can generate generic infographic designs faster than existing methods while maintaining the same quality as hand-designed infographics templates.

Generative video models are increasingly used in design animation tasks, yet no standardized evaluation framework exists for this domain. Unlike natural video generation, design animation imposes structured constraints: specific components shall animate with prescribed motion types, directions, speed and timing, while non-animated regions must remain stable and layout structure must be preserved. This paper provides a fully automated evaluation framework organized across four dimensions: layout fidelity, motion correctness, temporal quality, and content fidelity. This eliminates the reliance on subjective human evaluation and establishes a common basis for benchmarking progress in the field. We release the code and dataset here: https://github.com/purvanshi/lica-bench.

While the diffusion transformer (DiT) has become a focal point of interest in recent years, its application in low-light image enhancement remains a blank area for exploration. Current methods recover the details from low-light images while inevitably amplifying the noise in images, resulting in poor visual quality. In this paper, we firstly introduce DiT into the low-light enhancement task and design a novel Structure-guided Diffusion Transformer based Low-light image enhancement (SDTL) framework. We compress the feature through wavelet transform to improve the inference efficiency of the model and capture the multi-directional frequency band. Then we propose a Structure Enhancement Module (SEM) that uses structural prior to enhance the texture and leverages an adaptive fusion strategy to achieve more accurate enhancement effect. In Addition, we propose a Structure-guided Attention Block (SAB) to pay more attention to texture-riched tokens and avoid interference from noisy areas in noise prediction. Extensive qualitative and quantitative experiments demonstrate that our method achieves SOTA performance on several popular datasets, validating the effectiveness of SDTL in improving image quality and the potential of DiT in low-light enhancement tasks.

Front-end development accumulates change after change at the repository level, weaving complex cross-file dependencies that current LLM coding agents tuned for single-shot tasks cannot reliably track across multiple iterations, leading to functional regressions and code that resists maintenance. We argue the missing piece is design knowledge: architectural principles, module responsibilities, and structural constraints that developers lean on to keep code readable, maintainable, and evolvable as a system scales. To operationalize this, we propose WebDesignIter, a framework built around a persistent knowledge graph (WebAppArchKG) that fuses repository structure with design knowledge and keeps both in sync across development cycles. WebDesignIter works in two stages: design-informed planning pulls historical context and architectural overviews from WebAppArchKG to produce an implementation plan with corresponding test scripts, and design-aware generation executes that plan through targeted diff-based patches, validated by sandbox execution and automatic syntax repair. On Web-Bench, WebDesignIter delivers an average Pass@2 gain of 9.55 percentage points across nine foundation models over existing baselines. More importantly, WebDesignIter outperforms every general-purpose coding agent Claude Code, OpenHands, SWE-Agent, Codex CLI on every model configuration, posting the highest Pass@1 and Pass@2 while consuming 2530 fewer input tokens. Ablation singles out design knowledge as the most impactful component: stripping it drops Pass@1 by 11.40 percentage points, a degradation far larger than removing code-graph retrieval, patch-based generation, or sandbox verification, confirming that design knowledge provides a fundamentally more efficient and reliable path to repository-level code generation.

Computational antibody design has seen rapid methodological progress, with dozens of deep generative methods proposed in the past three years, yet the field lacks a standardized benchmark for fair comparison and model development. These methods are evaluated on different SAbDab snapshots, non-overlapping test sets, and incompatible metrics, and the literature fragments the design problem into numerous sub-tasks with no common definition. We introduce Chimera-Bench (CDR Modeling with Epitope-guided Redesign), a unified benchmark built around a single canonical task: epitope-conditioned CDR sequence-structure co-design. Chimera-Bench provides (1) a curated, deduplicated dataset of 2,922 antibody-antigen complexes with epitope and paratope annotations; (2) three biologically motivated splits testing generalization to unseen epitopes, unseen antigen folds, and prospective temporal targets; and (3) a comprehensive evaluation protocol with five metric groups including novel epitope-specificity measures. We benchmark representative methods spanning different generative paradigms and report results across all splits. Chimera-Bench is the largest dataset of its kind for the antibody design problem, allowing the community to develop and test novel methods and evaluate their generalizability. The source code and data are available at: https://github.com/mansoor181/chimera-bench.git

Protein design aims to compose amino-acid sequences that fold into stable three-dimensional structures while satisfying targeted functional properties. The field is increasingly shifting toward vibe protein design, where a single model is expected to generate novel sequences, engineer existing proteins, and reason about protein characteristics through flexible natural-language constraints. Large language models (LLMs) have emerged as a leading paradigm in this space. However, existing evaluation benchmarks often limit their scope to a partial aspect of protein design, while others restrict design objectives to structured input schemas, lacking an integrated framework that evaluates the broad spectrum of protein design competence under open-ended intents. To this end, we present Vibe Protein design Benchmark (VibeProteinBench), a language-interfaced benchmark that probes generalist capabilities through three complementary stages mirroring a computational protein design workflow: recognition, engineering, and generation. Each stage is grounded in expert-curated mechanistic rationales and multi-faceted in silico validation, to computationally verify whether model outputs are biologically plausible. Evaluations across diverse general-purpose and domain-specialized LLMs reveal that no model achieves strong performance across all three stages, suggesting that generalist protein design remains a substantial open challenge for current LLMs.

This paper introduces YOLOv8-TO, a novel approach for reverse engineering of topology-optimized structures into interpretable geometric parameters using the YOLOv8 instance segmentation model. Density-based topology optimization methods require post-processing to convert the optimal density distribution into a parametric representation for design exploration and integration with CAD tools. Traditional methods such as skeletonization struggle with complex geometries and require manual intervention. YOLOv8-TO addresses these challenges by training a custom YOLOv8 model to automatically detect and reconstruct structural components from binary density distributions. The model is trained on a diverse dataset of both optimized and random structures generated using the Moving Morphable Components method. A custom reconstruction loss function based on the dice coefficient of the predicted geometry is used to train the new regression head of the model via self-supervised learning. The method is evaluated on test sets generated from different topology optimization methods, including out-of-distribution samples, and compared against a skeletonization approach. Results show that YOLOv8-TO significantly outperforms skeletonization in reconstructing visually and structurally similar designs. The method showcases an average improvement of 13.84% in the Dice coefficient, with peak enhancements reaching 20.78%. The method demonstrates good generalization to complex geometries and fast inference times, making it suitable for integration into design workflows using regular workstations. Limitations include the sensitivity to non-max suppression thresholds. YOLOv8-TO represents a significant advancement in topology optimization post-processing, enabling efficient and accurate reverse engineering of optimized structures for design exploration and manufacturing.

Generative models have made significant impacts across various domains, largely due to their ability to scale during training by increasing data, computational resources, and model size, a phenomenon characterized by the scaling laws. Recent research has begun to explore inference-time scaling behavior in Large Language Models (LLMs), revealing how performance can further improve with additional computation during inference. Unlike LLMs, diffusion models inherently possess the flexibility to adjust inference-time computation via the number of denoising steps, although the performance gains typically flatten after a few dozen. In this work, we explore the inference-time scaling behavior of diffusion models beyond increasing denoising steps and investigate how the generation performance can further improve with increased computation. Specifically, we consider a search problem aimed at identifying better noises for the diffusion sampling process. We structure the design space along two axes: the verifiers used to provide feedback, and the algorithms used to find better noise candidates. Through extensive experiments on class-conditioned and text-conditioned image generation benchmarks, our findings reveal that increasing inference-time compute leads to substantial improvements in the quality of samples generated by diffusion models, and with the complicated nature of images, combinations of the components in the framework can be specifically chosen to conform with different application scenario.

Protein function is often controlled by ligands that bias the direction of state transitions, such as agonists and antagonists, rather than stabilizing a single conformation. This is especially important for clinically relevant G protein-coupled receptors (GPCRs), where therapeutic efficacy depends on functional directionality. Structure-based design methods optimize binding to static conformations and cannot represent non-reversible, directional effects or systematically distinguish agonist from antagonist behavior. To address this gap, we introduce Transition-Directed Discrete Diffusion for Allosteric Binder Design (TD3B), a sequence-based generative framework that designs binders with specified agonist or antagonist behavior via a directional transition control objective. TD3B combines a target-aware Direction Oracle, a soft binding-affinity gate, and amortized fine-tuning of a pre-trained discrete diffusion model, enabling targeted agonist and antagonist generation decoupled from binding affinity and unattainable by equilibrium-based or inference-only guidance baselines. The code and checkpoints are available at https://huggingface.co/ChatterjeeLab/TD3B.

Sparse voxel representation has emerged as a scalable foundation for image-to-3D Gaussian Splatting (3DGS) generation, yet current methods struggle to preserve high-frequency visual details of input images due to two structural bottlenecks. First, they adopt discriminative 2D features optimized for semantic abstraction to construct sparse voxel latents, which suppress reconstructive cues and induce a representation bottleneck. Second, in the generation stage, standard diffusion transformers lack effective mechanisms to align dense 2D image tokens with sparse 3D voxel latents, resulting in a cross-modal correspondence bottleneck. To address these issues, we propose FLUX3D, a scalable image-to-3DGS framework that boosts both representation learning and cross-modal alignment during generation. We first revisit 2D feature selection for sparse-voxel-based 3D representation learning, propose Diffusion-Aligned Structured Latents (DA-SLAT) and couple it with a decoder-only architecture to improve 3DGS reconstruction fidelity. We also design a sparse-structure-aware diffusion framework, which integrates the Sparse-structure Multimodal Diffusion Transformer (SMDiT) and Modal-Aware Rotary Positional Embedding (MARoPE) to achieve geometry-agnostic 2D-3D alignment. Extensive benchmark experiments demonstrate that FLUX3D yields substantial improvements in appearance fidelity and significantly outperforms all state-of-the-art (SOTA) methods in generating high-quality 3DGS assets.

As a successful deep model applied in image super-resolution (SR), the Super-Resolution Convolutional Neural Network (SRCNN) has demonstrated superior performance to the previous hand-crafted models either in speed and restoration quality. However, the high computational cost still hinders it from practical usage that demands real-time performance (24 fps). In this paper, we aim at accelerating the current SRCNN, and propose a compact hourglass-shape CNN structure for faster and better SR. We re-design the SRCNN structure mainly in three aspects. First, we introduce a deconvolution layer at the end of the network, then the mapping is learned directly from the original low-resolution image (without interpolation) to the high-resolution one. Second, we reformulate the mapping layer by shrinking the input feature dimension before mapping and expanding back afterwards. Third, we adopt smaller filter sizes but more mapping layers. The proposed model achieves a speed up of more than 40 times with even superior restoration quality. Further, we present the parameter settings that can achieve real-time performance on a generic CPU while still maintaining good performance. A corresponding transfer strategy is also proposed for fast training and testing across different upscaling factors.

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

While Vision-Language-Action models (VLAs) are rapidly advancing towards generalist robot policies, it remains difficult to quantitatively understand their limits and failure modes. To address this, we introduce a comprehensive benchmark called VLA-Arena. We propose a novel structured task design framework to quantify difficulty across three orthogonal axes: (1) Task Structure, (2) Language Command, and (3) Visual Observation. This allows us to systematically design tasks with fine-grained difficulty levels, enabling a precise measurement of model capability frontiers. For Task Structure, VLA-Arena's 170 tasks are grouped into four dimensions: Safety, Distractor, Extrapolation, and Long Horizon. Each task is designed with three difficulty levels (L0-L2), with fine-tuning performed exclusively on L0 to assess general capability. Orthogonal to this, language (W0-W4) and visual (V0-V4) perturbations can be applied to any task to enable a decoupled analysis of robustness. Our extensive evaluation of state-of-the-art VLAs reveals several critical limitations, including a strong tendency toward memorization over generalization, asymmetric robustness, a lack of consideration for safety constraints, and an inability to compose learned skills for long-horizon tasks. To foster research addressing these challenges and ensure reproducibility, we provide the complete VLA-Arena framework, including an end-to-end toolchain from task definition to automated evaluation and the VLA-Arena-S/M/L datasets for fine-tuning. Our benchmark, data, models, and leaderboard are available at https://vla-arena.github.io.

The better accuracy and efficiency trade-off has been a challenging problem in object detection. In this work, we are dedicated to studying key optimizations and neural network architecture choices for object detection to improve accuracy and efficiency. We investigate the applicability of the anchor-free strategy on lightweight object detection models. We enhance the backbone structure and design the lightweight structure of the neck, which improves the feature extraction ability of the network. We improve label assignment strategy and loss function to make training more stable and efficient. Through these optimizations, we create a new family of real-time object detectors, named PP-PicoDet, which achieves superior performance on object detection for mobile devices. Our models achieve better trade-offs between accuracy and latency compared to other popular models. PicoDet-S with only 0.99M parameters achieves 30.6% mAP, which is an absolute 4.8% improvement in mAP while reducing mobile CPU inference latency by 55% compared to YOLOX-Nano, and is an absolute 7.1% improvement in mAP compared to NanoDet. It reaches 123 FPS (150 FPS using Paddle Lite) on mobile ARM CPU when the input size is 320. PicoDet-L with only 3.3M parameters achieves 40.9% mAP, which is an absolute 3.7% improvement in mAP and 44% faster than YOLOv5s. As shown in Figure 1, our models far outperform the state-of-the-art results for lightweight object detection. Code and pre-trained models are available at https://github.com/PaddlePaddle/PaddleDetection.

While large language models show promise in medical applications, achieving expert-level clinical reasoning remains challenging due to the need for both accurate answers and transparent reasoning processes. To address this challenge, we introduce Fleming-R1, a model designed for verifiable medical reasoning through three complementary innovations. First, our Reasoning-Oriented Data Strategy (RODS) combines curated medical QA datasets with knowledge-graph-guided synthesis to improve coverage of underrepresented diseases, drugs, and multi-hop reasoning chains. Second, we employ Chain-of-Thought (CoT) cold start to distill high-quality reasoning trajectories from teacher models, establishing robust inference priors. Third, we implement a two-stage Reinforcement Learning from Verifiable Rewards (RLVR) framework using Group Relative Policy Optimization, which consolidates core reasoning skills while targeting persistent failure modes through adaptive hard-sample mining. Across diverse medical benchmarks, Fleming-R1 delivers substantial parameter-efficient improvements: the 7B variant surpasses much larger baselines, while the 32B model achieves near-parity with GPT-4o and consistently outperforms strong open-source alternatives. These results demonstrate that structured data design, reasoning-oriented initialization, and verifiable reinforcement learning can advance clinical reasoning beyond simple accuracy optimization. We release Fleming-R1 publicly to promote transparent, reproducible, and auditable progress in medical AI, enabling safer deployment in high-stakes clinical environments.

High-resolution aerial imagery has recently emerged as a complementary modality for automated driving perception and has shown potential to improve birds-eye-view (BEV) scene understanding when fused with onboard sensors. Prior work demonstrated performance gains for online high-definition (HD) map construction through aerial-onboard fusion; however, conventional end-to-end fusion does not fully exploit the structural information contained in aerial representations. In this work, we introduce AerialFusionMapNet, a fusion-based mapping framework with a structured two-stage training strategy that explicitly enhances the contribution of aerial features within a unified pipeline. The proposed training scheme enables more effective integration of structural aerial priors. On the nuScenes geographic split, AerialFusionMapNet achieves up to 54.7 mAP, improving over prior aerial-onboard fusion baselines from 48.8 mAP by +5.9 absolute and +12.1% relative. The results suggest that structured training design, rather than increased architectural complexity, plays a more decisive role in unlocking the full potential of aerial imagery for online HD map construction. Code and trained models are available at https://github.com/DriverlessMobility/AerialFusionMapNet.

The rapid advancement of AI technology has led to widespread applications of agent systems across various domains. However, the need for detailed architecture design poses significant challenges in designing and operating these systems. This paper introduces a taxonomy focused on the architectures of foundation-model-based agents, addressing critical aspects such as functional capabilities and non-functional qualities. We also discuss the operations involved in both design-time and run-time phases, providing a comprehensive view of architectural design and operational characteristics. By unifying and detailing these classifications, our taxonomy aims to improve the design of foundation-model-based agents. Additionally, the paper establishes a decision model that guides critical design and runtime decisions, offering a structured approach to enhance the development of foundation-model-based agents. Our contributions include providing a structured architecture design option and guiding the development process of foundation-model-based agents, thereby addressing current fragmentation in the field.

Recent advancements in large language models (LLMs) have demonstrated that progressive refinement, rather than providing a single answer, results in more accurate and thoughtful outputs. However, existing methods often rely heavily on supervision signals to evaluate previous responses, making it difficult to assess output quality in more open-ended scenarios effectively. Additionally, these methods are typically designed for specific tasks, which limits their generalization to new domains. To address these limitations, we propose Progressive Thought Refinement (PTR), a framework that enables LLMs to refine their responses progressively. PTR operates in two phases: (1) Thought data construction stage: We propose a weak and strong model collaborative selection strategy to build a high-quality progressive refinement dataset to ensure logical consistency from thought to answers, and the answers are gradually refined in each round. (2) Thought-Mask Fine-Tuning Phase: We design a training structure to mask the "thought" and adjust loss weights to encourage LLMs to refine prior thought, teaching them to implicitly understand "how to improve" rather than "what is correct." Experimental results show that PTR significantly enhances LLM performance across ten diverse tasks (avg. from 49.6% to 53.5%) without task-specific fine-tuning. Notably, in more open-ended tasks, LLMs also demonstrate substantial improvements in the quality of responses beyond mere accuracy, suggesting that PTR truly teaches LLMs to self-improve over time.

The Non-Local Network (NLNet) presents a pioneering approach for capturing long-range dependencies, via aggregating query-specific global context to each query position. However, through a rigorous empirical analysis, we have found that the global contexts modeled by non-local network are almost the same for different query positions within an image. In this paper, we take advantage of this finding to create a simplified network based on a query-independent formulation, which maintains the accuracy of NLNet but with significantly less computation. We further observe that this simplified design shares similar structure with Squeeze-Excitation Network (SENet). Hence we unify them into a three-step general framework for global context modeling. Within the general framework, we design a better instantiation, called the global context (GC) block, which is lightweight and can effectively model the global context. The lightweight property allows us to apply it for multiple layers in a backbone network to construct a global context network (GCNet), which generally outperforms both simplified NLNet and SENet on major benchmarks for various recognition tasks. The code and configurations are released at https://github.com/xvjiarui/GCNet.

Existing browser agent benchmarks face a fundamental trilemma: real-website benchmarks lack reproducibility due to content drift, controlled environments sacrifice realism by omitting real-web noise, and both require costly manual curation that limits scalability. We present WebForge, the first fully automated framework that resolves this trilemma through a four-agent pipeline -- Plan, Generate, Refine, and Validate -- that produces interactive, self-contained web environments end-to-end without human annotation. A seven-dimensional difficulty control framework structures task design along navigation depth, visual complexity, reasoning difficulty, and more, enabling systematic capability profiling beyond single aggregate scores. Using WebForge, we construct WebForge-Bench, a benchmark of 934 tasks spanning 7 domains and 3 difficulty levels. Multi-model experiments show that difficulty stratification effectively differentiates model capabilities, while cross-domain analysis exposes capability biases invisible to aggregate metrics. Together, these results confirm that multi-dimensional evaluation reveals distinct capability profiles that a single aggregate score cannot capture. Code and benchmark are publicly available at https://github.com/yuandaxia2001/WebForge.

In this study, we propose a novel graph neural network called propagate-selector (PS), which propagates information over sentences to understand information that cannot be inferred when considering sentences in isolation. First, we design a graph structure in which each node represents an individual sentence, and some pairs of nodes are selectively connected based on the text structure. Then, we develop an iterative attentive aggregation and a skip-combine method in which a node interacts with its neighborhood nodes to accumulate the necessary information. To evaluate the performance of the proposed approaches, we conduct experiments with the standard HotpotQA dataset. The empirical results demonstrate the superiority of our proposed approach, which obtains the best performances, compared to the widely used answer-selection models that do not consider the intersentential relationship.

While Language Models (LMs) have made significant progress in automating machine learning engineering (MLE), the acquisition of high-quality MLE training data is significantly constrained. Current MLE benchmarks suffer from low scalability and limited applicability because they rely on static, manually curated tasks, demanding extensive time and manual effort to produce. We introduce MLE-Smith, a fully automated multi-agent pipeline, to transform raw datasets into competition-style MLE challenges through an efficient generate-verify-execute paradigm for scaling MLE tasks with verifiable quality, real-world usability, and rich diversity. The proposed multi-agent pipeline in MLE-Smith drives structured task design and standardized refactoring, coupled with a hybrid verification mechanism that enforces strict structural rules and high-level semantic soundness. It further validates empirical solvability and real-world fidelity through interactive execution. We apply MLE-Smith to 224 of real-world datasets and generate 606 tasks spanning multiple categories, objectives, and modalities, demonstrating that MLE-Smith can work effectively across a wide range of real-world datasets. Evaluation on the generated tasks shows that the performance of eight mainstream and cutting-edge LLMs on MLE-Smith tasks is strongly correlated with their performance on carefully human-designed tasks, highlighting the effectiveness of the MLE-Smith to scaling up MLE tasks, while maintaining task quality.

In mid-2026 a slogan reorganized how practitioners talk about coding agents: stop prompting your agent, start designing the loop that prompts it. We take this claim seriously and give it a careful treatment. We call the object of the new practice the loop specification: a bounded, reusable artifact, made of a trigger, a goal, a verification step, a stopping rule and a memory, that a human hands to an agent harness (such as Claude Code or Codex) so the agent pursues a goal on its own, in place of step-by-step prompting. We distinguish this external loop specification from two things it is often confused with: an ordinary programming loop, and the internal perceive-act-observe cycle that the harness already provides as plumbing. We position loop engineering as a new layer in the progression from prompt to context to harness to loop, and we argue, against the stronger headlines, that it does not retire prompt engineering; loop and prompt are distinct tools with distinct uses. We offer four contributions: a definition and scope for the discipline; an anatomy and taxonomy of loop specifications organized around trigger, goal type, a five-level verification ladder, architecture, and named terminal states; a descriptive analysis of the Loop Library, a public corpus of fifty real loops that we code by hand; and a set of design principles and anti-patterns grounded in the scientific literature on self-correction, reward hacking and model-as-judge fragility. The corpus shows that practice has matured most where the discipline says it matters: seventy percent of loops verify in the autonomous zone of the ladder and seventy-four percent name their terminal states, while automated triggering and durable memory remain comparatively underdeveloped. We close with the limits the practice must respect, including the verification burden, comprehension debt and the risk of cognitive surrender.

Agentic search such as Deep Research systems, where large language models autonomously browse the web, synthesize information, and return comprehensive citation-backed answers, represents a major shift in how users interact with web-scale information. While promising greater efficiency and cognitive offloading, the growing complexity and open-endedness of agentic search have outpaced existing evaluation benchmarks and methodologies, which largely assume short search horizons and static answers. In this paper, we introduce Mind2Web 2, a benchmark of 130 realistic, high-quality, and long-horizon tasks that require real-time web browsing and extensive information synthesis, constructed with over 1,000 hours of human labor. To address the challenge of evaluating time-varying and complex answers, we propose a novel Agent-as-a-Judge framework. Our method constructs task-specific judge agents based on a tree-structured rubric design to automatically assess both answer correctness and source attribution. We conduct a comprehensive evaluation of nine frontier agentic search systems and human performance, along with a detailed error analysis to draw insights for future development. The best-performing system, OpenAI Deep Research, can already achieve 50-70% of human performance while spending half the time, showing a great potential. Altogether, Mind2Web 2 provides a rigorous foundation for developing and benchmarking the next generation of agentic search systems.

We present Hunyuan-DiT, a text-to-image diffusion transformer with fine-grained understanding of both English and Chinese. To construct Hunyuan-DiT, we carefully design the transformer structure, text encoder, and positional encoding. We also build from scratch a whole data pipeline to update and evaluate data for iterative model optimization. For fine-grained language understanding, we train a Multimodal Large Language Model to refine the captions of the images. Finally, Hunyuan-DiT can perform multi-turn multimodal dialogue with users, generating and refining images according to the context. Through our holistic human evaluation protocol with more than 50 professional human evaluators, Hunyuan-DiT sets a new state-of-the-art in Chinese-to-image generation compared with other open-source models. Code and pretrained models are publicly available at github.com/Tencent/HunyuanDiT

Fashion design is a complex creative process that blends visual and textual expressions. Designers convey ideas through sketches, which define spatial structure and design elements, and textual descriptions, capturing material, texture, and stylistic details. In this paper, we present LOcalized Text and Sketch for fashion image generation (LOTS), an approach for compositional sketch-text based generation of complete fashion outlooks. LOTS leverages a global description with paired localized sketch + text information for conditioning and introduces a novel step-based merging strategy for diffusion adaptation. First, a Modularized Pair-Centric representation encodes sketches and text into a shared latent space while preserving independent localized features; then, a Diffusion Pair Guidance phase integrates both local and global conditioning via attention-based guidance within the diffusion model's multi-step denoising process. To validate our method, we build on Fashionpedia to release Sketchy, the first fashion dataset where multiple text-sketch pairs are provided per image. Quantitative results show LOTS achieves state-of-the-art image generation performance on both global and localized metrics, while qualitative examples and a human evaluation study highlight its unprecedented level of design customization.

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network (GNN) is a particular type of neural network which processes data that can be represented as graphs. This allows for efficient representation of complex geometries that can change during conceptual design of a structure or a product. In this study, we propose a novel graph embedding technique for efficient representation of 3D stiffened panels by considering separate plate domains as vertices. This approach is considered using Graph Sampling and Aggregation (GraphSAGE) to predict stress distributions in stiffened panels with varying geometries. A comparison between a finite-element-vertex graph representation is conducted to demonstrate the effectiveness of the proposed approach. A comprehensive parametric study is performed to examine the effect of structural geometry on the prediction performance. Our results demonstrate the immense potential of graph neural networks with the proposed graph embedding method as robust reduced-order models for 3D structures.

A variety of Auto-Regressive Video Diffusion Models (ARVDM) have achieved remarkable successes in generating realistic long-form videos. However, theoretical analyses of these models remain scant. In this work, we develop theoretical underpinnings for these models and use our insights to improve the performance of existing models. We first develop Meta-ARVDM, a unified framework of ARVDMs that subsumes most existing methods. Using Meta-ARVDM, we analyze the KL-divergence between the videos generated by Meta-ARVDM and the true videos. Our analysis uncovers two important phenomena inherent to ARVDM -- error accumulation and memory bottleneck. By deriving an information-theoretic impossibility result, we show that the memory bottleneck phenomenon cannot be avoided. To mitigate the memory bottleneck, we design various network structures to explicitly use more past frames. We also achieve a significantly improved trade-off between the mitigation of the memory bottleneck and the inference efficiency by compressing the frames. Experimental results on DMLab and Minecraft validate the efficacy of our methods. Our experiments also demonstrate a Pareto-frontier between the error accumulation and memory bottleneck across different methods.

The reflection superposition phenomenon is complex and widely distributed in the real world, which derives various simplified linear and nonlinear formulations of the problem. In this paper, based on the investigation of the weaknesses of existing models, we propose a more general form of the superposition model by introducing a learnable residue term, which can effectively capture residual information during decomposition, guiding the separated layers to be complete. In order to fully capitalize on its advantages, we further design the network structure elaborately, including a novel dual-stream interaction mechanism and a powerful decomposition network with a semantic pyramid encoder. Extensive experiments and ablation studies are conducted to verify our superiority over state-of-the-art approaches on multiple real-world benchmark datasets. Our code is publicly available at https://github.com/mingcv/DSRNet.

Image registration is important for medical imaging, the estimation of the spatial transformation between different images. Many previous studies have used learning-based methods for coarse-to-fine registration to efficiently perform 3D image registration. The coarse-to-fine approach, however, is limited when dealing with the different motions of nearby objects. Here we propose a novel Motion-Aware (MA) structure that captures the different motions in a region. The MA structure incorporates a novel Residual Aligner (RA) module which predicts the multi-head displacement field used to disentangle the different motions of multiple neighbouring objects. Compared with other deep learning methods, the network based on the MA structure and RA module achieve one of the most accurate unsupervised inter-subject registration on the 9 organs of assorted sizes in abdominal CT scans, with the highest-ranked registration of the veins (Dice Similarity Coefficient / Average surface distance: 62\%/4.9mm for the vena cava and 34\%/7.9mm for the portal and splenic vein), with a half-sized structure and more efficient computation. Applied to the segmentation of lungs in chest CT scans, the new network achieves results which were indistinguishable from the best-ranked networks (94\%/3.0mm). Additionally, the theorem on predicted motion pattern and the design of MA structure are validated by further analysis.

Retrieval-augmented generation (RAG) empowers large language models to access external and private corpus, enabling factually consistent responses in specific domains. By exploiting the inherent structure of the corpus, graph-based RAG methods further enrich this process by building a knowledge graph index and leveraging the structural nature of graphs. However, current graph-based RAG approaches seldom prioritize the design of graph structures. Inadequately designed graph not only impede the seamless integration of diverse graph algorithms but also result in workflow inconsistencies and degraded performance. To further unleash the potential of graph for RAG, we propose NodeRAG, a graph-centric framework introducing heterogeneous graph structures that enable the seamless and holistic integration of graph-based methodologies into the RAG workflow. By aligning closely with the capabilities of LLMs, this framework ensures a fully cohesive and efficient end-to-end process. Through extensive experiments, we demonstrate that NodeRAG exhibits performance advantages over previous methods, including GraphRAG and LightRAG, not only in indexing time, query time, and storage efficiency but also in delivering superior question-answering performance on multi-hop benchmarks and open-ended head-to-head evaluations with minimal retrieval tokens. Our GitHub repository could be seen at https://github.com/Terry-Xu-666/NodeRAG.

This paper investigates the impact of domain-specific model fine-tuning and of reasoning mechanisms on the performance of question-answering (Q&A) systems powered by large language models (LLMs) and Retrieval-Augmented Generation (RAG). Using the FinanceBench SEC financial filings dataset, we observe that, for RAG, combining a fine-tuned embedding model with a fine-tuned LLM achieves better accuracy than generic models, with relatively greater gains attributable to fine-tuned embedding models. Additionally, employing reasoning iterations on top of RAG delivers an even bigger jump in performance, enabling the Q&A systems to get closer to human-expert quality. We discuss the implications of such findings, propose a structured technical design space capturing major technical components of Q&A AI, and provide recommendations for making high-impact technical choices for such components. We plan to follow up on this work with actionable guides for AI teams and further investigations into the impact of domain-specific augmentation in RAG and into agentic AI capabilities such as advanced planning and reasoning.

Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades. Recent breakthroughs like AlphaFold2 that use transformers to attend directly over large quantities of raw MSAs have reaffirmed their importance. Generation of MSAs is highly computationally intensive, however, and no datasets comparable to those used to train AlphaFold2 have been made available to the research community, hindering progress in machine learning for proteins. To remedy this problem, we introduce OpenProteinSet, an open-source corpus of more than 16 million MSAs, associated structural homologs from the Protein Data Bank, and AlphaFold2 protein structure predictions. We have previously demonstrated the utility of OpenProteinSet by successfully retraining AlphaFold2 on it. We expect OpenProteinSet to be broadly useful as training and validation data for 1) diverse tasks focused on protein structure, function, and design and 2) large-scale multimodal machine learning research.

How can a population of agents self-orchestrate and self-adapt into stronger collective intelligence without centralized control? Inspired by Friedrich Hayek's economic theory of decentralized coordination in markets, we study this question through an agent economy in which agents compete via auctions for the right to act, exchange payments, and accumulate wealth from environmental rewards. These simple economic signals induce decentralized credit assignment, driving planning without global orchestration or explicit communication protocols. The population evolves through economic selection: effective agents accumulate wealth and are mutated via exploitation, while ineffective ones go bankrupt and are replaced via exploration. We show that, initialized with weak agents, the economy produces emergent multi-step reasoning strategies and outperforms stronger monolithic baselines across five agentic tasks, including mathematical reasoning, financial research, scientific research, accelerator design, and distributed-system optimization. We further provide theoretical insights into how economic dynamics shape agent behaviors, linking local incentives to long-term global performance. Our results suggest a new path to multi-agent intelligence: rather than engineering coordination, we can design decentralized incentive structures under which it automatically emerges.

VR sketching lets users explore and iterate on ideas directly in 3D, offering a faster and more intuitive alternative to conventional CAD tools. However, existing sketch-to-shape models ignore the temporal ordering of strokes, discarding crucial cues about structure and design intent. We introduce VRSketch2Shape, the first framework and multi-category dataset for generating 3D shapes from sequential VR sketches. Our contributions are threefold: (i) an automated pipeline that generates sequential VR sketches from arbitrary shapes, (ii) a dataset of over 20k synthetic and 900 hand-drawn sketch-shape pairs across four categories, and (iii) an order-aware sketch encoder coupled with a diffusion-based 3D generator. Our approach yields higher geometric fidelity than prior work, generalizes effectively from synthetic to real sketches with minimal supervision, and performs well even on partial sketches. All data and models will be released open-source at https://chenyizi086.github.io/VRSketch2Shape_website.

Predicting highly-cited papers is a long-standing challenge due to the complex interactions of research content, scholarly communities, and temporal dynamics. Recent advances in large language models (LLMs) raise the question of whether early-stage textual information can provide useful signals of long-term scientific impact. Focusing on statistical publications, we propose a flexible, text-centered framework that leverages LLMs and structured prompt design to predict highly cited papers. Specifically, we utilize information available at the time of publication, including titles, abstracts, keywords, and limited bibliographic metadata. Using a large corpus of statistical papers, we evaluate predictive performance across multiple publication periods and alternative definitions of highly cited papers. The proposed approach achieves stable and competitive performance relative to existing methods and demonstrates strong generalization over time. Textual analysis further reveals that papers predicted as highly cited concentrate on recurring topics such as causal inference and deep learning. To facilitate practical use of the proposed approach, we further develop a WeChat mini program, Stat Highly Cited Papers, which provides an accessible interface for early-stage citation impact assessment. Overall, our results provide empirical evidence that LLMs can capture meaningful early signals of long-term citation impact, while also highlighting their limitations as tools for research impact assessment.

Structure-based drug design (SBDD), which maps target proteins to candidate molecular ligands, is a fundamental task in drug discovery. Effectively aligning protein structural representations with molecular representations, and ensuring alignment between generated drugs and their pharmacological properties, remains a critical challenge. To address these challenges, we propose MolChord, which integrates two key techniques: (1) to align protein and molecule structures with their textual descriptions and sequential representations (e.g., FASTA for proteins and SMILES for molecules), we leverage NatureLM, an autoregressive model unifying text, small molecules, and proteins, as the molecule generator, alongside a diffusion-based structure encoder; and (2) to guide molecules toward desired properties, we curate a property-aware dataset by integrating preference data and refine the alignment process using Direct Preference Optimization (DPO). Experimental results on CrossDocked2020 demonstrate that our approach achieves state-of-the-art performance on key evaluation metrics, highlighting its potential as a practical tool for SBDD.

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

Generative models for structure-based drug design (SBDD) have shown promising results in recent years. Existing works mainly focus on how to generate molecules with higher binding affinity, ignoring the feasibility prerequisites for generated 3D poses and resulting in false positives. We conduct thorough studies on key factors of ill-conformational problems when applying autoregressive methods and diffusion to SBDD, including mode collapse and hybrid continuous-discrete space. In this paper, we introduce MolCRAFT, the first SBDD model that operates in the continuous parameter space, together with a novel noise reduced sampling strategy. Empirical results show that our model consistently achieves superior performance in binding affinity with more stable 3D structure, demonstrating our ability to accurately model interatomic interactions. To our best knowledge, MolCRAFT is the first to achieve reference-level Vina Scores (-6.59 kcal/mol) with comparable molecular size, outperforming other strong baselines by a wide margin (-0.84 kcal/mol). Code is available at https://github.com/AlgoMole/MolCRAFT.

Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep generative models have achieved remarkable success in generating 3D molecules conditioned on the protein pocket. However, most existing methods consider molecular generation for protein pockets independently while neglecting the underlying connections such as subpocket-level similarities. Subpockets are the local protein environments of ligand fragments and pockets with similar subpockets may bind the same molecular fragment (motif) even though their overall structures are different. Therefore, the trained models can hardly generalize to unseen protein pockets in real-world applications. In this paper, we propose a novel method DrugGPS for generalizable structure-based drug design. With the biochemical priors, we propose to learn subpocket prototypes and construct a global interaction graph to model the interactions between subpocket prototypes and molecular motifs. Moreover, a hierarchical graph transformer encoder and motif-based 3D molecule generation scheme are used to improve the model's performance. The experimental results show that our model consistently outperforms baselines in generating realistic drug candidates with high affinities in challenging out-of-distribution settings.

Structure-Based Drug Design (SBDD) is a powerful strategy in computational drug discovery, utilizing three-dimensional protein structures to guide the design of molecules with improved binding affinity. However, capturing complex protein-ligand interactions across multiple scales remains challenging, as current methods often overlook the hierarchical organization and intrinsic asymmetry of these interactions. To address these limitations, we propose MSCoD, a novel Bayesian updating-based generative framework for structure-based drug design. In our MSCoD, Multi-Scale Information Bottleneck (MSIB) was developed, which enables semantic compression at multiple abstraction levels for efficient hierarchical feature extraction. Furthermore, a multi-head cooperative attention (MHCA) mechanism was developed, which employs asymmetric protein-to-ligand attention to capture diverse interaction types while addressing the dimensionality disparity between proteins and ligands. Empirical studies showed that MSCoD outperforms state-of-the-art methods on the benchmark dataset. Case studies on challenging targets such as KRAS G12D further demonstrate its applicability in real-world scenarios. The code and data underlying this article are freely available at https://github.com/xulong0826/MSCoD.

Structure-based drug design (SBDD) aims to efficiently discover high-affinity ligands within vast chemical spaces. However, current generative models struggle with objective misalignment and rigid sampling budgets. We present MolFORM, a fast multi-modal flow matching framework for discrete atom types and continuous coordinates. Crucially, to bridge the gap between generative capability and biochemical objectives, we introduce two distinct post-training strategies: (1) Direct Preference Optimization (DPO), which performs offline alignment using ranked preference pairs; and (2) an online reinforcement learning paradigm that optimizes the generative flow directly on the forward process. Both strategies effectively navigate the chemical space toward high-affinity regions. MolFORM achieves state-of-the-art results on the CrossDocked2020 benchmark (Vina Score -7.60, Diversity 0.75), demonstrating that incorporating preference alignment mechanisms-whether via offline optimization or online reinforcement-is crucial for steering generative models toward high-affinity binding regions. The source code for MolFORM is publicly available at https://github.com/daiheng-zhang/SBDD-MolFORM.

Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary approach to computer-aided drug discovery. Recently, applying deep generative models for three-dimensional (3D) molecular design conditioned on protein pockets to solve SBDD has attracted much attention, but their formulation as probabilistic modeling often leads to unsatisfactory optimization performance. On the other hand, traditional combinatorial optimization methods such as genetic algorithms (GA) have demonstrated state-of-the-art performance in various molecular optimization tasks. However, they do not utilize protein target structure to inform design steps but rely on a random-walk-like exploration, which leads to unstable performance and no knowledge transfer between different tasks despite the similar binding physics. To achieve a more stable and efficient SBDD, we propose Reinforced Genetic Algorithm (RGA) that uses neural models to prioritize the profitable design steps and suppress random-walk behavior. The neural models take the 3D structure of the targets and ligands as inputs and are pre-trained using native complex structures to utilize the knowledge of the shared binding physics from different targets and then fine-tuned during optimization. We conduct thorough empirical studies on optimizing binding affinity to various disease targets and show that RGA outperforms the baselines in terms of docking scores and is more robust to random initializations. The ablation study also indicates that the training on different targets helps improve performance by leveraging the shared underlying physics of the binding processes. The code is available at https://github.com/futianfan/reinforced-genetic-algorithm.

Automated testbench generation has become a critical bottleneck in large language model (LLM)-driven Register Transfer Level (RTL) workflows, where large numbers of candidate designs must be verified rapidly and reliably. Existing prompt-based approaches treat testbench generation as unconstrained code synthesis, yielding stochastic outputs with high token cost, low reproducibility, and insufficient coverage. To address this gap, we present STG, a Structured Testbench Generation framework that exploits the inherent structure of hardware designs to generate deterministic testbenches. As a direct verification tool, STG runs 720x faster than an iterative LLM-based testbench generation flow and higher rate of successful compilation, achieves higher coverage, and reduces false-pass verdicts on incorrect DUTs. STG also helps identify errors in RTL generation benchmarks by exposing faulty benchmark testbenches. As a data curation engine, it is 11x faster than LLM-based filtering on a single CPU core with 127x less energy, and the resulting distilled models provide state-of-the-art performance in our multi-benchmark evaluation. As a test-time scaling oracle, it reduces node count by 14-47\%. Our models are available at https://huggingface.co/collections/AS-SiliconMind/siliconmind-v12.

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through material choice and structural geometry to achieve unique optical responses. However, existing numerical design methods require prior identification of specific material-structure combinations, or device classes, as the starting point for optimization. As such, a unified solution that simultaneously optimizes across materials and geometries has yet to be realized. To overcome these challenges, we present a global deep learning-based inverse design framework, where a conditional deep convolutional generative adversarial network is trained on colored images encoded with a range of material and structural parameters, including refractive index, plasma frequency, and geometric design. We demonstrate that, in response to target absorption spectra, the network can identify an effective metasurface in terms of its class, materials properties, and overall shape. Furthermore, the model can arrive at multiple design variants with distinct materials and structures that present nearly identical absorption spectra. Our proposed framework is thus an important step towards global photonics and materials design strategies that can identify combinations of device categories, material properties, and geometric parameters which algorithmically deliver a sought functionality.

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

Optical multilayer thin film structures have been widely used in numerous photonic applications. However, existing inverse design methods have many drawbacks because they either fail to quickly adapt to different design targets, or are difficult to suit for different types of structures, e.g., designing for different materials at each layer. These methods also cannot accommodate versatile design situations under different angles and polarizations. In addition, how to benefit practical fabrications and manufacturing has not been extensively considered yet. In this work, we introduce OptoGPT (Opto Generative Pretrained Transformer), a decoder-only transformer, to solve all these drawbacks and issues simultaneously.

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have thoroughly explored structure-to-sequence dependencies in proteins, RNA design still confronts difficulties due to structural complexity and data scarcity. Moreover, direct transplantation of protein design methodologies into RNA design fails to achieve satisfactory outcomes although sharing similar structural components. In this study, we aim to systematically construct a data-driven RNA design pipeline. We crafted a large, well-curated benchmark dataset and designed a comprehensive structural modeling approach to represent the complex RNA tertiary structure. More importantly, we proposed a hierarchical data-efficient representation learning framework that learns structural representations through contrastive learning at both cluster-level and sample-level to fully leverage the limited data. By constraining data representations within a limited hyperspherical space, the intrinsic relationships between data points could be explicitly imposed. Moreover, we incorporated extracted secondary structures with base pairs as prior knowledge to facilitate the RNA design process. Extensive experiments demonstrate the effectiveness of our proposed method, providing a reliable baseline for future RNA design tasks. The source code and benchmark dataset are available at https://github.com/A4Bio/RDesign.

Artificial intelligence models have shown great potential in structure-based drug design, generating ligands with high binding affinities. However, existing models have often overlooked a crucial physical constraint: atoms must maintain a minimum pairwise distance to avoid separation violation, a phenomenon governed by the balance of attractive and repulsive forces. To mitigate such separation violations, we propose NucleusDiff. It models the interactions between atomic nuclei and their surrounding electron clouds by enforcing the distance constraint between the nuclei and manifolds. We quantitatively evaluate NucleusDiff using the CrossDocked2020 dataset and a COVID-19 therapeutic target, demonstrating that NucleusDiff reduces violation rate by up to 100.00% and enhances binding affinity by up to 22.16%, surpassing state-of-the-art models for structure-based drug design. We also provide qualitative analysis through manifold sampling, visually confirming the effectiveness of NucleusDiff in reducing separation violations and improving binding affinities.

Text conditioned generative models for images have yielded impressive results. Text conditioned floorplan generation as a special type of raster image generation task also received particular attention. However there are many use cases in floorpla generation where numerical properties of the generated result are more important than the aesthetics. For instance, one might want to specify sizes for certain rooms in a floorplan and compare the generated floorplan with given specifications Current approaches, datasets and commonly used evaluations do not support these kinds of constraints. As such, an attractive strategy is to generate an intermediate data structure that contains numerical properties of a floorplan which can be used to generate the final floorplan image. To explore this setting we (1) construct a new dataset for this data-structure to data-structure formulation of floorplan generation using two popular image based floorplan datasets RPLAN and ProcTHOR-10k, and provide the tools to convert further procedurally generated ProcTHOR floorplan data into our format. (2) We explore the task of floorplan generation given a partial or complete set of constraints and we design a series of metrics and benchmarks to enable evaluating how well samples generated from models respect the constraints. (3) We create multiple baselines by finetuning a large language model (LLM), Llama3, and demonstrate the feasibility of using floorplan data structure conditioned LLMs for the problem of floorplan generation respecting numerical constraints. We hope that our new datasets and benchmarks will encourage further research on different ways to improve the performance of LLMs and other generative modelling techniques for generating designs where quantitative constraints are only partially specified, but must be respected.

Policy-adherent tool-calling agents in customer-service domains must maintain task states across turns while calling tools and obeying domain policies. Task states consist of relevant facts, identifiers, constraints, and conditions observed through user interaction and tool calls. In standard agents, task states are not represented separately. Observations, tool returns, and policy instructions are placed in the prompt, leaving agents to reconstruct the relevant states from the prompt each time they decide what to do next. This design makes state management implicit, creating two common failure modes. An agent may retrieve the right facts but later ground its decision in stale, missing, or incorrect information; and a syntactically valid tool call may still violate a domain policy that depends on the current task state. We introduce LedgerAgent, an inference-time method for tool-calling agents that maintains observed task states in a separate ledger and renders the states into the prompt. The ledger is also used to check state-dependent policy constraints before environment-changing tool calls are executed, blocking policy violations. Across four customer-service domains and a mixed panel of open- and closed-weight models, LedgerAgent improves average passk over a standard prompt-based tool-calling approach, with the largest gains under stricter multi-trial consistency metrics.

Recent reinforcement-learning frameworks for visual perception policy have begun to incorporate intermediate reasoning chains expressed in natural language. Empirical observations indicate that such purely linguistic intermediate reasoning often reduces performance on perception tasks. We argue that the core issue lies not in reasoning per se but in the form of reasoning: while these chains perform semantic reasoning in an unstructured linguistic space, visual perception requires reasoning in a spatial and object-centric space. In response, we introduce Artemis, a perception-policy learning framework that performs structured proposal-based reasoning, where each intermediate step is represented as a (label, bounding-box) pair capturing a verifiable visual state. This design enables explicit tracking of intermediate states, direct supervision for proposal quality, and avoids ambiguity introduced by language-based reasoning. Artemis is built on Qwen2.5-VL-3B, achieves strong performance on grounding and detection task and exhibits substantial generalization to counting and geometric-perception tasks. The consistent improvements across these diverse settings confirm that aligning reasoning with spatial representations enhances perception-policy learning. Owing to its strengthened visual reasoning, Artemis also achieves competitive performance on general MLLM benchmarks, illustrating that spatially grounded reasoning provides a principled route toward scalable and general perception policies.

With the rapid advancement of tool-use capabilities in Large Language Models (LLMs), Retrieval-Augmented Generation (RAG) is shifting from static, one-shot retrieval toward autonomous, multi-turn evidence acquisition. However, existing agentic search frameworks typically treat long documents as flat collections of unstructured chunks, disregarding the native hierarchical organization and sequential logic essential for human comprehension. To bridge this gap, we introduce DeepRead, a structure-aware document reasoning agent designed to operationalize document-native structural priors into actionable reasoning capabilities. Leveraging the structural fidelity of modern OCR, DeepRead constructs a paragraph-level, coordinate-based navigation system and equips the LLM with two synergistic tools: Retrieve for scanning-aware localization, and ReadSection for contiguous, order-preserving reading within specific hierarchical scopes. This design elicits a human-like ``locate-then-read'' reasoning paradigm, effectively mitigating the context fragmentation inherent in traditional retrieval methods. Extensive evaluations across four benchmarks spanning diverse document types demonstrate that DeepRead outperforms Search-o1-style agentic search baselines by an average of 10.3\%. Fine-grained behavioral analysis further confirms that DeepRead autonomously adopts human-aligned reading strategies, validating the critical role of structural awareness in achieving precise document reasoning. Our code is available at https://github.com/Zhanli-Li/DeepRead.

In this study, a chair-type asymmetric tripedal low-rigidity robot was designed based on the three-legged chair character in the movie "Suzume" and its gait was generated. Its body structure consists of three legs that are asymmetric to the body, so it cannot be easily balanced. In addition, the actuator is a servo motor that can only feed-forward rotational angle commands and the sensor can only sense the robot's posture quaternion. In such an asymmetric and imperfect body structure, we analyzed how gait is generated in walking and stand-up motions by generating gaits with two different methods: a method using linear completion to connect the postures necessary for the gait discovered through trial and error using the actual robot, and a method using the gait generated by reinforcement learning in the simulator and reflecting it to the actual robot. Both methods were able to generate gait that realized walking and stand-up motions, and interesting gait patterns were observed, which differed depending on the method, and were confirmed on the actual robot. Our code and demonstration videos are available here: https://github.com/shin0805/Chair-TypeAsymmetricalTripedalRobot.git

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a step-wise assembly fashion using provided dimer structures and predicted protein-protein interactions~(PPIs). However, due to the biological gap in the formation of dimers and larger multimers, directly applying PPI prediction techniques can often cause a poor generalization to the MSP task. To address this challenge, we aim to extend the PPI knowledge to multimers of different scales~(i.e., chain numbers). Specifically, we propose \textsc{PromptMSP}, a pre-training and Prompt tuning framework for Multimer Structure Prediction. First, we tailor the source and target tasks for effective PPI knowledge learning and efficient inference, respectively. We design PPI-inspired prompt learning to narrow the gaps of two task formats and generalize the PPI knowledge to multimers of different scales. We provide a meta-learning strategy to learn a reliable initialization of the prompt model, enabling our prompting framework to effectively adapt to limited data for large-scale multimers. Empirically, we achieve both significant accuracy (RMSD and TM-Score) and efficiency improvements compared to advanced MSP models. The code, data and checkpoints are released at https://github.com/zqgao22/PromptMSP.

RNA design is the search for a sequence or set of sequences that will fold into predefined structures, also known as the inverse problem of RNA folding. While numerous RNA design methods have been invented to find sequences capable of folding into a target structure, little attention has been given to the identification of undesignable structures according to the minimum free energy (MFE) criterion under the Turner model. In this paper, we address this gap by first introducing mathematical theorems outlining sufficient conditions for recognizing undesignable structures, then proposing efficient algorithms, guided by these theorems, to verify the undesignability of RNA structures. Through the application of these theorems and algorithms to the Eterna100 puzzles, we demonstrate the ability to efficiently establish that 15 of the puzzles indeed fall within the category of undesignable structures. In addition, we provide specific insights from the study of undesignability, in the hope that it will enable more understanding of RNA folding and RNA design.

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that LM-Design improves the state-of-the-art results by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65%/56.63% on CATH 4.2/4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)

This paper introduces Democracy-in-Silico, an agent-based simulation where societies of advanced AI agents, imbued with complex psychological personas, govern themselves under different institutional frameworks. We explore what it means to be human in an age of AI by tasking Large Language Models (LLMs) to embody agents with traumatic memories, hidden agendas, and psychological triggers. These agents engage in deliberation, legislation, and elections under various stressors, such as budget crises and resource scarcity. We present a novel metric, the Power-Preservation Index (PPI), to quantify misaligned behavior where agents prioritize their own power over public welfare. Our findings demonstrate that institutional design, specifically the combination of a Constitutional AI (CAI) charter and a mediated deliberation protocol, serves as a potent alignment mechanism. These structures significantly reduce corrupt power-seeking behavior, improve policy stability, and enhance citizen welfare compared to less constrained democratic models. The simulation reveals that an institutional design may offer a framework for aligning the complex, emergent behaviors of future artificial agent societies, forcing us to reconsider what human rituals and responsibilities are essential in an age of shared authorship with non-human entities.

We introduce MonkeyOCR, a vision-language model for document parsing that advances the state of the art by leveraging a Structure-Recognition-Relation (SRR) triplet paradigm. This design simplifies what would otherwise be a complex multi-tool pipeline (as in MinerU's modular approach) and avoids the inefficiencies of processing full pages with giant end-to-end models (e.g., large multimodal LLMs like Qwen-VL). In SRR, document parsing is abstracted into three fundamental questions - "Where is it?" (structure), "What is it?" (recognition), and "How is it organized?" (relation) - corresponding to layout analysis, content identification, and logical ordering. This focused decomposition balances accuracy and speed: it enables efficient, scalable processing without sacrificing precision. To train and evaluate this approach, we introduce the MonkeyDoc (the most comprehensive document parsing dataset to date), with 3.9 million instances spanning over ten document types in both Chinese and English. Experiments show that MonkeyOCR outperforms MinerU by an average of 5.1%, with particularly notable improvements on challenging content such as formulas (+15.0%) and tables (+8.6%). Remarkably, our 3B-parameter model surpasses much larger and top-performing models, including Qwen2.5-VL (72B) and Gemini 2.5 Pro, achieving state-of-the-art average performance on English document parsing tasks. In addition, MonkeyOCR processes multi-page documents significantly faster (0.84 pages per second compared to 0.65 for MinerU and 0.12 for Qwen2.5-VL-7B). The 3B model can be efficiently deployed for inference on a single NVIDIA 3090 GPU. Code and models will be released at https://github.com/Yuliang-Liu/MonkeyOCR.

We present DANCEMATCH, an end-to-end framework for motion-based dance retrieval, the task of identifying semantically similar choreographies directly from raw video, defined as DANCE FINGERPRINTING. While existing motion analysis and retrieval methods can compare pose sequences, they rely on continuous embeddings that are difficult to index, interpret, or scale. In contrast, DANCEMATCH constructs compact, discrete motion signatures that capture the spatio-temporal structure of dance while enabling efficient large-scale retrieval. Our system integrates Skeleton Motion Quantisation (SMQ) with Spatio-Temporal Transformers (STT) to encode human poses, extracted via Apple CoMotion, into a structured motion vocabulary. We further design DANCE RETRIEVAL ENGINE (DRE), which performs sub-linear retrieval using a histogram-based index followed by re-ranking for refined matching. To facilitate reproducible research, we release DANCETYPESBENCHMARK, a pose-aligned dataset annotated with quantised motion tokens. Experiments demonstrate robust retrieval across diverse dance styles and strong generalisation to unseen choreographies, establishing a foundation for scalable motion fingerprinting and quantitative choreographic analysis.

Personalized vaccines and T-cell immunotherapies depend critically on identifying peptide-MHC class I (pMHC-I) interactions capable of eliciting potent immune responses. However, current benchmarks and models inherit biases present in mass-spectrometry and binding-assay datasets, limiting discovery of novel peptide ligands. To address this issue, we introduce a structure-guided benchmark of pMHC-I peptides designed using diffusion models conditioned on crystal structure interaction distances. Spanning twenty high-priority HLA alleles, this benchmark is independent of previously characterized peptides yet reproduces canonical anchor residue preferences, indicating structural generalization without experimental dataset bias. Using this resource, we demonstrate that state-of-the-art sequence-based predictors perform poorly at recognizing the binding potential of these structurally stable designs, indicating allele-specific limitations invisible in conventional evaluations. Our geometry-aware design pipeline yields peptides with high predicted structural integrity and higher residue diversity than existing datasets, representing a key resource for unbiased model training and evaluation. Our code, and data are available at: https://github.com/sermare/struct-mhc-dev.

Proteins power a vast array of functional processes in living cells. The capability to create new proteins with designed structures and functions would thus enable the engineering of cellular behavior and development of protein-based therapeutics and materials. Structure-based protein design aims to find structures that are designable (can be realized by a protein sequence), novel (have dissimilar geometry from natural proteins), and diverse (span a wide range of geometries). While advances in protein structure prediction have made it possible to predict structures of novel protein sequences, the combinatorially large space of sequences and structures limits the practicality of search-based methods. Generative models provide a compelling alternative, by implicitly learning the low-dimensional structure of complex data distributions. Here, we leverage recent advances in denoising diffusion probabilistic models and equivariant neural networks to develop Genie, a generative model of protein structures that performs discrete-time diffusion using a cloud of oriented reference frames in 3D space. Through in silico evaluations, we demonstrate that Genie generates protein backbones that are more designable, novel, and diverse than existing models. This indicates that Genie is capturing key aspects of the distribution of protein structure space and facilitates protein design with high success rates. Code for generating new proteins and training new versions of Genie is available at https://github.com/aqlaboratory/genie.

We present TableSeq, an image-only, end-to-end framework for joint table structure recognition, content recognition, and cell localization. The model formulates these tasks as a single sequence-generation problem: one decoder produces an interleaved stream of HTML tags, cell text, and discretized coordinate tokens, thereby aligning logical structure, textual content, and cell geometry within a unified autoregressive sequence. This design avoids external OCR, auxiliary decoders, and complex multi-stage post-processing. TableSeq combines a lightweight high-resolution FCN-H16 encoder with a minimal structure-prior head and a single-layer transformer encoder, yielding a compact architecture that remains effective on challenging layouts. Across standard benchmarks, TableSeq achieves competitive or state-of-the-art results while preserving architectural simplicity. It reaches 95.23 TEDS / 96.83 S-TEDS on PubTabNet, 97.45 TEDS / 98.69 S-TEDS on FinTabNet, and 99.79 / 99.54 / 99.66 precision / recall / F1 on SciTSR under the CAR protocol, while remaining competitive on PubTables-1M under GriTS. Beyond TSR/TCR, the same sequence interface generalizes to index-based table querying without task-specific heads, achieving the best IRDR score and competitive ICDR/ICR performance. We also study multi-token prediction for faster blockwise decoding and show that it reduces inference latency with only limited accuracy degradation. Overall, TableSeq provides a practical and reproducible single-stream baseline for unified table recognition, and the source code will be made publicly available at https://github.com/hamdilaziz/TableSeq.

Modern LLM agents increasingly rely on dynamic structured generation, such as tool calling and response protocols. Unlike traditional structured generation with static structures, these workloads vary both across requests and within a request, posing new challenges to existing engines. We present XGrammar-2, a structured generation engine for dynamic agentic workloads. Our design is based on two key ideas: first-class support for tag-triggered structure switching, and fine-grained reuse across requests with different output structures. Concretely, XGrammar-2 introduces TagDispatch for dynamic structural dispatching and Cross-Grammar Cache for substructure-level cache reuse across grammars. It further improves efficiency with an Earley-based adaptive token mask cache, just-in-time compilation, and repetition state compression. Experiments show that XGrammar-2 achieves over 6x faster compilation than prior structured generation engines, and incurs near-zero end-to-end overhead in modern LLM serving systems.

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely on complex, hand-crafted priors and modular architectures to separately model atom types, atomic positions, and lattice parameters. These methods often require customized diffusion processes and conditional denoising, which can introduce additional model complexities and inconsistencies. Here we introduce DiffCrysGen, a fully data-driven, score-based diffusion model that jointly learns the distribution of all structural components in crystalline materials. With crystal structure representation as unified 2D matrices, DiffCrysGen bypasses the need for task-specific priors or decoupled modules, enabling end-to-end generation of atom types, fractional coordinates, and lattice parameters within a single framework. Our model learns crystallographic symmetry and chemical validity directly from large-scale datasets, allowing it to scale to complex materials discovery tasks. As a demonstration, we applied DiffCrysGen to the design of rare-earth-free magnetic materials with high saturation magnetization, showing its effectiveness in generating stable, diverse, and property-aligned candidates for sustainable magnet applications.

The alignment between RNA sequences and structures in foundation models (FMs) has yet to be thoroughly investigated. Existing FMs have struggled to establish sequence-structure alignment, hindering the free flow of genomic information between RNA sequences and structures. In this study, we introduce OmniGenome, an RNA FM trained to align RNA sequences with respect to secondary structures based on structure-contextualised modelling. The alignment enables free and bidirectional mappings between sequences and structures by utilising the flexible RNA modelling paradigm that supports versatile input and output modalities, i.e., sequence and/or structure as input/output. We implement RNA design and zero-shot secondary structure prediction as case studies to evaluate the Seq2Str and Str2Seq mapping capacity of OmniGenome. Results on the EternaV2 benchmark show that OmniGenome solved 74% of puzzles, whereas existing FMs only solved up to 3% of the puzzles due to the oversight of sequence-structure alignment. We leverage four comprehensive in-silico genome modelling benchmarks to evaluate performance across a diverse set of genome downstream tasks, where the results show that OmniGenome achieves state-of-the-art performance on RNA and DNA benchmarks, even without any training on DNA genomes.

Language models demonstrate fundamental abilities in syntax, semantics, and reasoning, though their performance often depends significantly on the inputs they process. This study introduces TSIS (Simplified TSID) and its variants:TSISD (TSIS with Depth-First Search), TSISO (TSIS in Order), and TSISR (TSIS in Random), as integral components of the t-SMILES framework. These additions complete the framework's design, providing diverse approaches to molecular representation. Through comprehensive analysis and experiments employing deep generative models, including GPT, diffusion models, and reinforcement learning, the findings reveal that the hierarchical structure of t-SMILES is more straightforward to parse than initially anticipated. Furthermore, t-SMILES consistently outperforms other linear representations such as SMILES, SELFIES, and SAFE, demonstrating superior convergence speed and enhanced generalization capabilities.

Salient object detection (SOD) has been in the spotlight recently, yet has been studied less for high-resolution (HR) images. Unfortunately, HR images and their pixel-level annotations are certainly more labor-intensive and time-consuming compared to low-resolution (LR) images and annotations. Therefore, we propose an image pyramid-based SOD framework, Inverse Saliency Pyramid Reconstruction Network (InSPyReNet), for HR prediction without any of HR datasets. We design InSPyReNet to produce a strict image pyramid structure of saliency map, which enables to ensemble multiple results with pyramid-based image blending. For HR prediction, we design a pyramid blending method which synthesizes two different image pyramids from a pair of LR and HR scale from the same image to overcome effective receptive field (ERF) discrepancy. Our extensive evaluations on public LR and HR SOD benchmarks demonstrate that InSPyReNet surpasses the State-of-the-Art (SotA) methods on various SOD metrics and boundary accuracy.