Daily Papers

Deep learning's great success motivates many practitioners and students to learn about this exciting technology. However, it is often challenging for beginners to take their first step due to the complexity of understanding and applying deep learning. We present CNN Explainer, an interactive visualization tool designed for non-experts to learn and examine convolutional neural networks (CNNs), a foundational deep learning model architecture. Our tool addresses key challenges that novices face while learning about CNNs, which we identify from interviews with instructors and a survey with past students. CNN Explainer tightly integrates a model overview that summarizes a CNN's structure, and on-demand, dynamic visual explanation views that help users understand the underlying components of CNNs. Through smooth transitions across levels of abstraction, our tool enables users to inspect the interplay between low-level mathematical operations and high-level model structures. A qualitative user study shows that CNN Explainer helps users more easily understand the inner workings of CNNs, and is engaging and enjoyable to use. We also derive design lessons from our study. Developed using modern web technologies, CNN Explainer runs locally in users' web browsers without the need for installation or specialized hardware, broadening the public's education access to modern deep learning techniques.

Autonomous driving promises transformative improvements to transportation, but building systems capable of safely navigating the unstructured complexity of real-world scenarios remains challenging. A critical problem lies in effectively predicting the various potential outcomes that may emerge in response to the vehicle's actions as the world evolves. To address this challenge, we introduce GAIA-1 ('Generative AI for Autonomy'), a generative world model that leverages video, text, and action inputs to generate realistic driving scenarios while offering fine-grained control over ego-vehicle behavior and scene features. Our approach casts world modeling as an unsupervised sequence modeling problem by mapping the inputs to discrete tokens, and predicting the next token in the sequence. Emerging properties from our model include learning high-level structures and scene dynamics, contextual awareness, generalization, and understanding of geometry. The power of GAIA-1's learned representation that captures expectations of future events, combined with its ability to generate realistic samples, provides new possibilities for innovation in the field of autonomy, enabling enhanced and accelerated training of autonomous driving technology.

Language models have demonstrated the ability to generate highly fluent text; however, it remains unclear whether their output retains coherent high-level structure (e.g., story progression). Here, we propose to apply a statistical tool, model criticism in latent space, to evaluate the high-level structure of the generated text. Model criticism compares the distributions between real and generated data in a latent space obtained according to an assumptive generative process. Different generative processes identify specific failure modes of the underlying model. We perform experiments on three representative aspects of high-level discourse -- coherence, coreference, and topicality -- and find that transformer-based language models are able to capture topical structures but have a harder time maintaining structural coherence or modeling coreference.

A faithful and interpretable explanation of an AI model's behavior and internal structure is a high-level explanation that is human-intelligible but also consistent with the known, but often opaque low-level causal details of the model. We argue that the theory of causal abstraction provides the mathematical foundations for the desired kinds of model explanations. In causal abstraction analysis, we use interventions on model-internal states to rigorously assess whether an interpretable high-level causal model is a faithful description of an AI model. Our contributions in this area are: (1) We generalize causal abstraction to cyclic causal structures and typed high-level variables. (2) We show how multi-source interchange interventions can be used to conduct causal abstraction analyses. (3) We define a notion of approximate causal abstraction that allows us to assess the degree to which a high-level causal model is a causal abstraction of a lower-level one. (4) We prove constructive causal abstraction can be decomposed into three operations we refer to as marginalization, variable-merge, and value-merge. (5) We formalize the XAI methods of LIME, causal effect estimation, causal mediation analysis, iterated nullspace projection, and circuit-based explanations as special cases of causal abstraction analysis.

3D object segmentation with Large Language Models (LLMs) has become a prevailing paradigm due to its broad semantics, task flexibility, and strong generalization. However, this paradigm is hindered by representation misalignment: LLMs process high-level semantic tokens, whereas 3D point clouds convey only dense geometric structures. In prior methods, misalignment limits both input and output. At the input stage, dense point patches require heavy pre-alignment, weakening object-level semantics and confusing similar distractors. At the output stage, predictions depend only on dense features without explicit geometric cues, leading to a loss of fine-grained accuracy. To address these limitations, we present the Point Linguist Model (PLM), a general framework that bridges the representation gap between LLMs and dense 3D point clouds without requiring large-scale pre-alignment between 3D-text or 3D-images. Specifically, we introduce Object-centric Discriminative Representation (OcDR), which learns object-centric tokens that capture target semantics and scene relations under a hard negative-aware training objective. This mitigates the misalignment between LLM tokens and 3D points, enhances resilience to distractors, and facilitates semantic-level reasoning within LLMs. For accurate segmentation, we introduce the Geometric Reactivation Decoder (GRD), which predicts masks by combining OcDR tokens carrying LLM-inferred geometry with corresponding dense features, preserving comprehensive dense features throughout the pipeline. Extensive experiments show that PLM achieves significant improvements of +7.3 mIoU on ScanNetv2 and +6.0 mIoU on Multi3DRefer for 3D referring segmentation, with consistent gains across 7 benchmarks spanning 4 different tasks, demonstrating the effectiveness of comprehensive object-centric reasoning for robust 3D understanding.

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

Interpretability research on large language models (LLMs) has yielded important insights into model behaviour, yet recurring pitfalls persist: findings that do not generalise, and causal interpretations that outrun the evidence. Our position is that causal inference specifies what constitutes a valid mapping from model activations to invariant high-level structures, the data or assumptions needed to achieve it, and the inferences it can support. Specifically, Pearl's causal hierarchy clarifies what an interpretability study can justify. Observations establish associations between model behaviour and internal components. Interventions (e.g., ablations or activation patching) support claims how these edits affect a behavioural metric (e.g., average change in token probabilities) over a set of prompts. However, counterfactual claims -- i.e., asking what the model output would have been for the same prompt under an unobserved intervention -- remain largely unverifiable without controlled supervision. We show how causal representation learning (CRL) operationalises this hierarchy, specifying which variables are recoverable from activations and under what assumptions. Together, these motivate a diagnostic framework that helps practitioners select methods and evaluations matching claims to evidence such that findings generalise.

Normalizing Flows (NFs) are powerful generative models capable of exact density estimation and sampling. However, their strict invertibility often forces the model to exhaust its capacity on low-level pixel details, hindering the capture of high-level semantic structures. While Masked Image Modeling (MIM) has excelled in representation learning, its integration into generative pipelines has remained largely modular and disjointed. In this paper, we propose MIMFlow, a unified end-to-end framework that jointly optimizes latent semantics, pixel reconstruction, and generative flow. By employing a VAE encoder to infer semantic latent from masked images, MIMFlow achieves a principled decoupling of the generative task: the Normalizing Flow focuses on modeling a simplified, low-frequency semantic manifold, while a specialized decoder handles high-frequency synthesis. This design effectively resolves the inherent capacity bottleneck of NFs, allowing the model to prioritize global structural coherence over redundant noise. Empirical results on ImageNet 256times256 show that MIMFlow-L reaches 71.3\% linear probing accuracy and an FID of 2.50. Despite using only 128 tokens (50\% fewer than standard models), it yields a 32.8\% performance gain over similar-scale NF baselines. Our code is available at https://github.com/MCG-NJU/MIMFlow.

Large language models (LLMs) have shown remarkable advancements in enabling language agents to tackle simple tasks. However, applying them for complex, multi-step, long-horizon tasks remains a challenge. Recent work have found success by separating high-level planning from low-level execution, which enables the model to effectively balance high-level planning objectives and low-level execution details. However, generating accurate plans remains difficult since LLMs are not inherently trained for this task. To address this, we propose Plan-and-Act, a novel framework that incorporates explicit planning into LLM-based agents and introduces a scalable method to enhance plan generation through a novel synthetic data generation method. Plan-and-Act consists of a Planner model which generates structured, high-level plans to achieve user goals, and an Executor model that translates these plans into environment-specific actions. To train the Planner effectively, we introduce a synthetic data generation method that annotates ground-truth trajectories with feasible plans, augmented with diverse and extensive examples to enhance generalization. We evaluate Plan-and-Act using web navigation as a representative long-horizon planning environment, demonstrating a state-of the-art 54% success rate on the WebArena-Lite benchmark.

Large language model (LLM) powered chatbots are primarily text-based today, and impose a large interactional cognitive load, especially for exploratory or sensemaking tasks such as planning a trip or learning about a new city. Because the interaction is textual, users have little scaffolding in the way of structure, informational "scent", or ability to specify high-level preferences or goals. We introduce ExploreLLM that allows users to structure thoughts, help explore different options, navigate through the choices and recommendations, and to more easily steer models to generate more personalized responses. We conduct a user study and show that users find it helpful to use ExploreLLM for exploratory or planning tasks, because it provides a useful schema-like structure to the task, and guides users in planning. The study also suggests that users can more easily personalize responses with high-level preferences with ExploreLLM. Together, ExploreLLM points to a future where users interact with LLMs beyond the form of chatbots, and instead designed to support complex user tasks with a tighter integration between natural language and graphical user interfaces.

Large language models can produce creative and diverse responses. However, to integrate them into current developer workflows, it is essential to constrain their outputs to follow specific formats or standards. In this work, we surveyed 51 experienced industry professionals to understand the range of scenarios and motivations driving the need for output constraints from a user-centered perspective. We identified 134 concrete use cases for constraints at two levels: low-level, which ensures the output adhere to a structured format and an appropriate length, and high-level, which requires the output to follow semantic and stylistic guidelines without hallucination. Critically, applying output constraints could not only streamline the currently repetitive process of developing, testing, and integrating LLM prompts for developers, but also enhance the user experience of LLM-powered features and applications. We conclude with a discussion on user preferences and needs towards articulating intended constraints for LLMs, alongside an initial design for a constraint prototyping tool.

The ability to transform a flat sheet into a complex three-dimensional structure is a fundamental test of physical intelligence. Unlike cloth manipulation, origami is governed by strict geometric axioms and hard kinematic constraints, where a single invalid crease or collision can invalidate the entire folding sequence. As a result, origami demands long-horizon constructive reasoning that jointly satisfies precise physical laws and high-level semantic intent. Existing approaches fall into two disjoint paradigms: optimization-based methods enforce physical validity but require dense, precisely specified inputs, making them unsuitable for sparse natural language descriptions, while generative foundation models excel at semantic and perceptual synthesis yet fail to produce long-horizon, physics-consistent folding processes. Consequently, generating valid origami folding sequences directly from text remains an open challenge. To address this gap, we introduce Learn2Fold, a neuro-symbolic framework that formulates origami folding as conditional program induction over a crease-pattern graph. Our key insight is to decouple semantic proposal from physical verification. A large language model generates candidate folding programs from abstract text prompts, while a learned graph-structured world model serves as a differentiable surrogate simulator that predicts physical feasibility and failure modes before execution. Integrated within a lookahead planning loop, Learn2Fold enables robust generation of physically valid folding sequences for complex and out-of-distribution patterns, demonstrating that effective spatial intelligence arises from the synergy between symbolic reasoning and grounded physical simulation.

Robotic arms are increasingly deployed in uncertain environments, yet conventional control pipelines often become rigid and brittle when exposed to perturbations or incomplete information. Virtual Model Control (VMC) enables compliant behaviors by embedding virtual forces and mapping them into joint torques, but its reliance on fixed parameters and limited coordination among virtual components constrains adaptability and may undermine stability as task objectives evolve. To address these limitations, we propose Adaptive VMC with Large Language Model (LLM)- and Lyapunov-Based Reinforcement Learning (RL), which preserves the physical interpretability of VMC while supporting stability-guaranteed online adaptation. The LLM provides structured priors and high-level reasoning that enhance coordination among virtual components, improve sample efficiency, and facilitate flexible adjustment to varying task requirements. Complementarily, Lyapunov-based RL enforces theoretical stability constraints, ensuring safe and reliable adaptation under uncertainty. Extensive simulations on a 7-DoF Panda arm demonstrate that our approach effectively balances competing objectives in dynamic tasks, achieving superior performance while highlighting the synergistic benefits of LLM guidance and Lyapunov-constrained adaptation.

This technical white paper introduces the Interactive Agents Call Tree (IACT), a computational model designed to address the limitations of static, hard-coded agent workflows. Unlike traditional systems that require pre-defined graphs or specialized programming, IACT operates as a general-purpose autonomous system driven purely by user dialogue. Given a high-level objective, the system autonomously grows a dynamic, recursive agent topology incrementally tailored to the problem's structure. This allows it to scale its organizational complexity to match open-ended tasks. To mitigate the error propagation inherent in unidirectional function calls, IACT introduces interactional redundancy by replacing rigid invocations with bidirectional, stateful dialogues. This mechanism enables runtime error correction and ambiguity resolution. We describe the architecture, design principles, and practical lessons behind the production deployment of this model in the kragent.ai system, presenting qualitative evidence from real-world workflows rather than exhaustive benchmark results.

Intermediate Representations (IRs) play a critical role in compiler design and program analysis, yet their comprehension by Large Language Models (LLMs) remains underexplored. In this paper, we present an explorative empirical study evaluating the capabilities of six state-of-the-art LLMs: GPT-4, GPT-3, DeepSeek, Gemma 2, Llama 3, and Code Llama, in understanding IRs. Specifically, we assess model performance across four core tasks: control flow graph reconstruction, decompilation, code summarization, and execution reasoning. While LLMs exhibit competence in parsing IR syntax and identifying high-level structures, they consistently struggle with instruction-level reasoning, especially in control flow reasoning, loop handling, and dynamic execution. Common failure modes include misinterpreting branching instructions, omitting critical operations, and relying on heuristic reasoning rather than precise instruction-level logic. Our findings highlight the need for IR-specific enhancements in LLM design. We recommend fine-tuning on structured IR datasets and integrating control-flow-sensitive architectures to improve model effectiveness. All experimental data and source code are publicly available at

Achieving human-like spatial intelligence for vision-language models (VLMs) requires inferring 3D structures from 2D observations, recognizing object properties and relations in 3D space, and performing high-level spatial reasoning. In this paper, we propose a principled hierarchical framework that decomposes the learning of 3D spatial understanding in VLMs into four progressively complex levels, from geometric perception to abstract spatial reasoning. Guided by this framework, we construct an automated pipeline that processes approximately 5M images with over 45M objects to generate 3D spatial VQA pairs across diverse tasks and scenes for VLM supervised fine-tuning. We also develop an RGB-D VLM incorporating metric-scale point maps as auxiliary inputs to further enhance spatial understanding. Extensive experiments demonstrate that our approach achieves state-of-the-art performance on multiple spatial understanding and reasoning benchmarks, surpassing specialized spatial models and large proprietary systems such as Gemini-2.5-pro and GPT-5. Moreover, our analysis reveals clear dependencies among hierarchical task levels, offering new insights into how multi-level task design facilitates the emergence of 3D spatial intelligence.

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.

Customized video generation aims to produce videos that faithfully preserve the subject's appearance from reference images while maintaining temporally consistent motion from reference videos. Existing methods struggle to ensure both subject appearance similarity and motion pattern consistency due to the lack of object-level guidance for subject and motion. To address this, we propose SMRABooth, which leverages the self-supervised encoder and optical flow encoder to provide object-level subject and motion representations. These representations are aligned with the model during the LoRA fine-tuning process. Our approach is structured in three core stages: (1) We exploit subject representations via a self-supervised encoder to guide subject alignment, enabling the model to capture overall structure of subject and enhance high-level semantic consistency. (2) We utilize motion representations from an optical flow encoder to capture structurally coherent and object-level motion trajectories independent of appearance. (3) We propose a subject-motion association decoupling strategy that applies sparse LoRAs injection across both locations and timing, effectively reducing interference between subject and motion LoRAs. Extensive experiments show that SMRABooth excels in subject and motion customization, maintaining consistent subject appearance and motion patterns, proving its effectiveness in controllable text-to-video generation.

We present that hierarchical LLM reasoning via scaling thought templates can effectively optimize the reasoning search space and outperform the mathematical reasoning capabilities of powerful LLMs like OpenAI o1-preview and DeepSeek V3. We train our ReasonFlux-32B model with only 8 GPUs and introduces three innovations: (i) a structured and generic thought template library, containing around 500 high-level thought templates capable of generalizing to similar or relevant reasoning problems; (ii) performing hierarchical reinforcement learning on a sequence of thought templates instead of long CoTs, optimizing a base LLM to plan out an optimal template trajectory for gradually handling complex problems; (iii) a brand new inference scaling system that enables hierarchical LLM reasoning by adaptively scaling thought templates at inference time. With a template trajectory containing sequential thought templates, our ReasonFlux-32B significantly advances math reasoning capabilities to state-of-the-art levels. Notably, on the MATH benchmark, it achieves an accuracy of 91.2% and surpasses o1-preview by 6.7%. On the USA Math Olympiad (AIME) benchmark, ReasonFlux-32B solves an average of 56.7% of problems, surpassing o1-preview and DeepSeek-V3 by 27% and 45%, respectively. Code: https://github.com/Gen-Verse/ReasonFlux

We propose Representational Effective Theory (RET), a framework for describing large language model computation in terms of learned macrostates rather than microscopic details. RET learns these macrostates from hidden-state trajectories using a BYOL/JEPA-style self-supervised objective, coarse-graining activations into macrovariables that preserve higher-level structure relevant for prediction and interpretation. We evaluate whether these macrovariables are practically relevant for interpretability: RET yields temporally consistent states that reveal "mental-state" trajectories of reasoning, capture high-level semantic structure, support early prediction of behavioral outcomes such as sycophancy, and provide causal handles for steering generations toward interpretable computational phases. Together, these results suggest that LLM computation admits useful effective descriptions via RET: high-level, dynamically meaningful variables that support interpretation, prediction, and intervention.

While large language models (LLMs) have demonstrated impressive capabilities in formal theorem proving, current benchmarks fail to adequately measure library-grounded abstraction -- the ability to reason with high-level interfaces and reusable structures central to modern mathematics and software engineering. We introduce LeanCat, a challenging benchmark comprising 100 fully formalized category-theory tasks in Lean. Unlike algebra or arithmetic, category theory serves as a rigorous stress test for structural, interface-level reasoning. Our evaluation reveals a severe abstraction gap: the best state-of-the-art model solves only 12.0% of tasks at pass@4, with performance collapsing from 55.0% on Easy tasks to 0.0% on High-difficulty tasks, highlighting a failure in compositional generalization. To overcome this, we evaluate LeanBridge, a retrieval-augmented agent that employs a retrieve-generate-verify loop. LeanBridge achieves a peak success rate of 24.0% -- doubling the performance of the best static baseline. These results empirically demonstrate that iterative refinement and dynamic library retrieval are not merely optimizations but strict necessities for neuro-symbolic reasoning in abstract domains. LeanCat offers a compact, reusable testbed for tracking progress toward reliable, research-level formalization.

Unified multimodal models (UMMs) aim to handle perception and generation in a single model. Yet existing UMMs still rely on a frozen, separately pretrained VAE for image generation, imposing a structural bottleneck. Naively removing it introduces a quality gap, as the model must learn both high-level structure and low-level details from raw pixels. In this paper, we propose Representation Forcing (RF), a technique that closes this gap by making representation prediction a native capability of the model. Concretely, RF forces the decoder to autoregressively predict visual representations as intermediate tokens before pixels; these tokens then stay in context to guide pixel diffusion within the same backbone. By turning representations from perception outputs into generation targets, RF eliminates the need for any external generative latent space. We find that RF benefits both understanding and generation. On image generation, our pixel-space model with RF matches state-of-the-art VAE-based unified models. On image understanding, pixel-space RF generally outperforms its VAE-based variant. Together, these results offer an effective step toward end-to-end, bottleneck-free UMMs.

Diffusion Transformers have demonstrated remarkable capabilities in visual synthesis, yet they often struggle with high-level semantic reasoning and long-horizon planning. This limitation frequently leads to visual hallucinations and mis-alignments with user instructions, especially in scenarios involving complex scene understanding, human-object interactions, multi-stage actions, and in-context motion reasoning. To address these challenges, we propose Plan-X, a framework that explicitly enforces high-level semantic planning to instruct video generation process. At its core lies a Semantic Planner, a learnable multimodal language model that reasons over the user's intent from both text prompts and visual context, and autoregressively generates a sequence of text-grounded spatio-temporal semantic tokens. These semantic tokens, complementary to high-level text prompt guidance, serve as structured "semantic sketches" over time for the video diffusion model, which has its strength at synthesizing high-fidelity visual details. Plan-X effectively integrates the strength of language models in multimodal in-context reasoning and planning, together with the strength of diffusion models in photorealistic video synthesis. Extensive experiments demonstrate that our framework substantially reduces visual hallucinations and enables fine-grained, instruction-aligned video generation consistent with multimodal context.

Current visual representation learning remains bifurcated: vision-language models (e.g., CLIP) excel at global semantic alignment but lack spatial precision, while self-supervised methods (e.g., MAE, DINO) capture intricate local structures yet struggle with high-level semantic context. We argue that these paradigms are fundamentally complementary and can be integrated into a principled multi-task framework, further enhanced by dense spatial supervision. We introduce MTV, a multi-task visual pretraining framework that jointly optimizes a shared backbone across vision-language contrastive, self-supervised, and dense spatial objectives. To mitigate the need for manual annotations, we leverage high-capacity "expert" models -- such as Depth Anything V2 and OWLv2 -- to synthesize dense, structured pseudo-labels at scale. Beyond the framework, we provide a systematic investigation into the mechanics of multi-task visual learning, analyzing: (i) the marginal gain of each objective, (ii) task synergies versus interference, and (iii) scaling behavior across varying data and model scales. Our results demonstrate that MTV achieves "best-of-both-worlds" performance, significantly enhancing fine-grained spatial reasoning without compromising global semantic understanding. Our findings suggest that multi-task learning, fueled by high-quality pseudo-supervision, is a scalable path toward more general visual encoders.

Large language models (LLMs) have shown strong empirical gains as self-evolving agents for CUDA kernel generation, driven by feedback-conditioned planning across generations. However, how planning decisions attribute and combine heterogeneous feedback signals remains opaque. Standard end-to-end ablations fail to resolve this question, as iterative planning amplifies early perturbations and conflates feedback effects with trajectory-dependent drift. We introduce CUDAnalyst, a unified analysis layer for controlled, generation-level attribution of planning decisions to feedback components via trajectory freezing and selective feedback injection. CUDAnalyst enables stable generation-level evaluation and principled coalitional-style attribution of feedback effects and interactions. Our results show that explicit planning is beneficial only when feedback is aligned, that effective planning emerges from structured multi-feedback interactions, and that high-level plans from stronger reasoning models can partially transfer to weaker ones. These trends hold across reference backbones, representative workloads, and reference induction regimes, indicating that the identified feedback-to-plan structure is robust within the controlled axes studied.

Despite recent breakthroughs, audio foundation models struggle in processing complex multi-source acoustic scenes. We refer to this challenging domain as audio stories, which can have multiple speakers and background/foreground sound effects. Compared to traditional audio processing tasks, audio stories introduce new layers of semantic, temporal, and physical complexity. To address this challenge, we propose AudioChat, a framework for developing audio foundation models that can generate, edit, and understand audio stories. AudioChat introduces a new paradigm in which LLM-based toolcalling agents simulate interactions between users and the system, and these simulated dialogues are used as training data. We also introduce a novel Audio Transfusion Forcing objective to train the AudioChat model, allowing it to simultaneously decompose high-level instructions via structured chain-of-thought reasoning and perform interactive multi-turn audio understanding/generation. To evaluate generation and editing performance, we develop three new metrics that directly measure task performance instead of relying upon distribution-based scoring. We highly encourage readers to visit our demo to better understand the capabilities of AudioChat: https://wanchichen.github.io/audiochat/.

Vision-Language-Action (VLA) models have achieved notable success but often struggle with limited generalizations. To address this, integrating generalized Vision-Language Models (VLMs) as assistants to VLAs has emerged as a popular solution. However, current approaches often combine these models in rigid, sequential structures: using VLMs primarily for high-level scene understanding and task planning, and VLAs merely as executors of lower-level actions, leading to ineffective collaboration and poor grounding challenges. In this paper, we propose an embodied agent framework, PhysiAgent, tailored to operate effectively in physical environments. By incorporating monitor, memory, self-reflection mechanisms, and lightweight off-the-shelf toolboxes, PhysiAgent offers an autonomous scaffolding framework to prompt VLMs to organize different components based on real-time proficiency feedback from VLAs to maximally exploit VLAs' capabilities. Experimental results demonstrate significant improvements in task-solving performance on complex real-world robotic tasks, showcasing effective self-regulation of VLMs, coherent tool collaboration, and adaptive evolution of the framework during execution. PhysiAgent makes practical and pioneering efforts to integrate VLMs and VLAs, effectively grounding embodied agent frameworks in real-world settings.

Realistic image super-resolution (Real-ISR) aims to reproduce perceptually realistic image details from a low-quality input. The commonly used adversarial training based Real-ISR methods often introduce unnatural visual artifacts and fail to generate realistic textures for natural scene images. The recently developed generative stable diffusion models provide a potential solution to Real-ISR with pre-learned strong image priors. However, the existing methods along this line either fail to keep faithful pixel-wise image structures or resort to extra skipped connections to reproduce details, which requires additional training in image space and limits their extension to other related tasks in latent space such as image stylization. In this work, we propose a pixel-aware stable diffusion (PASD) network to achieve robust Real-ISR as well as personalized stylization. In specific, a pixel-aware cross attention module is introduced to enable diffusion models perceiving image local structures in pixel-wise level, while a degradation removal module is used to extract degradation insensitive features to guide the diffusion process together with image high level information. By simply replacing the base diffusion model with a personalized one, our method can generate diverse stylized images without the need to collect pairwise training data. PASD can be easily integrated into existing diffusion models such as Stable Diffusion. Experiments on Real-ISR and personalized stylization demonstrate the effectiveness of our proposed approach. The source code and models can be found at https://github.com/yangxy/PASD.

This document consolidates publicly reported technical details about Metas Llama 4 model family. It summarizes (i) released variants (Scout and Maverick) and the broader herd context including the previewed Behemoth teacher model, (ii) architectural characteristics beyond a high-level MoE description covering routed/shared-expert structure, early-fusion multimodality, and long-context design elements reported for Scout (iRoPE and length generalization strategies), (iii) training disclosures spanning pre-training, mid-training for long-context extension, and post-training methodology (lightweight SFT, online RL, and lightweight DPO) as described in release materials, (iv) developer-reported benchmark results for both base and instruction-tuned checkpoints, and (v) practical deployment constraints observed across major serving environments, including provider-specific context limits and quantization packaging. The manuscript also summarizes licensing obligations relevant to redistribution and derivative naming, and reviews publicly described safeguards and evaluation practices. The goal is to provide a compact technical reference for researchers and practitioners who need precise, source-backed facts about Llama 4.

Diffusion models currently dominate the field of data-driven image synthesis with their unparalleled scaling to large datasets. In this paper, we identify and rectify several causes for uneven and ineffective training in the popular ADM diffusion model architecture, without altering its high-level structure. Observing uncontrolled magnitude changes and imbalances in both the network activations and weights over the course of training, we redesign the network layers to preserve activation, weight, and update magnitudes on expectation. We find that systematic application of this philosophy eliminates the observed drifts and imbalances, resulting in considerably better networks at equal computational complexity. Our modifications improve the previous record FID of 2.41 in ImageNet-512 synthesis to 1.81, achieved using fast deterministic sampling. As an independent contribution, we present a method for setting the exponential moving average (EMA) parameters post-hoc, i.e., after completing the training run. This allows precise tuning of EMA length without the cost of performing several training runs, and reveals its surprising interactions with network architecture, training time, and guidance.

Flow-based generation in high-dimensional spaces is difficult because velocity prediction requires modeling high-dimensional noise, even when data has strong low-rank structure. We present Asymmetric Flow Modeling (AsymFlow), a rank-asymmetric velocity parameterization that restricts noise prediction to a low-rank subspace while keeping data prediction full-dimensional. From this asymmetric prediction, AsymFlow analytically recovers the full-dimensional velocity without changing the network architecture or training/sampling procedures. On ImageNet 256times256, AsymFlow achieves a leading 1.57 FID, outperforming prior DiT/JiT-like pixel diffusion models by a large margin. AsymFlow also provides the first-ever route for finetuning pretrained latent flow models into pixel-space models: aligning the low-rank pixel subspace to the latent space gives a seamless initialization that preserves the latent model's high-level semantics and structure, so finetuning mainly improves low-level mismatches rather than relearning pixel generation. We show that the pixel AsymFlow model finetuned from FLUX.2 klein 9B establishes a new state of the art for pixel-space text-to-image generation, beating its latent base on HPSv3, DPG-Bench, and GenEval while qualitatively showing substantially improved visual realism.

We introduce iFlyBot-VLA, a large-scale Vision-Language-Action (VLA) model trained under a novel framework. The main contributions are listed as follows: (1) a latent action model thoroughly trained on large-scale human and robotic manipulation videos; (2) a dual-level action representation framework that jointly supervises both the Vision-Language Model (VLM) and the action expert during training; (3) a mixed training strategy that combines robot trajectory data with general QA and spatial QA datasets, effectively enhancing the 3D perceptual and reasoning capabilities of the VLM backbone. Specifically, the VLM is trained to predict two complementary forms of actions: latent actions, derived from our latent action model pretrained on cross-embodiment manipulation data, which capture implicit high-level intentions; and structured discrete action tokens, obtained through frequency-domain transformations of continuous control signals, which encode explicit low-level dynamics. This dual supervision aligns the representation spaces of language, vision, and action, enabling the VLM to directly contribute to action generation. Experimental results on the LIBERO Franka benchmark demonstrate the superiority of our frame-work, while real-world evaluations further show that iFlyBot-VLA achieves competitive success rates across diverse and challenging manipulation tasks. Furthermore, we plan to open-source a portion of our self-constructed dataset to support future research in the community

Visual complexity prediction is a fundamental problem in computer vision with applications in image compression, retrieval, and classification. Understanding what makes humans perceive an image as complex is also a long-standing question in cognitive science. Recent approaches have leveraged multimodal models that combine visual and linguistic representations, but it remains unclear whether language information is necessary for this task. We propose DReX (DINO-ResNet Fusion), a vision-only model that fuses self-supervised and convolutional representations through a learnable attention mechanism to predict image complexity. Our architecture integrates multi-scale hierarchical features from ResNet-50 with semantically rich representations from DINOv3 ViT-S/16, enabling the model to capture both low-level texture patterns and high-level semantic structure. DReX achieves state-of-the-art performance on the IC9600 benchmark (Pearson r = 0.9581), surpassing previous methods--including those trained on multimodal image-text data--while using approximately 21.5x fewer learnable parameters. Furthermore, DReX generalizes robustly across multiple datasets and metrics, achieving superior results on Pearson and Spearman correlation, Root Mean Square Error (RMSE), and Mean Absolute Error (MAE). Ablation and attention analyses confirm that DReX leverages complementary cues from both backbones, with the DINOv3 [CLS] token enhancing sensitivity to visual complexity. Our findings suggest that visual features alone can be sufficient for human-aligned complexity prediction and that, when properly fused, self-supervised transformers and supervised deep convolutional neural networks offer complementary and synergistic benefits for this task.

Language agents increasingly require persistent worlds in which they can act, remember, and learn. Existing approaches sit at two extremes: conventional web frameworks provide reliable but fixed contexts backed by databases, while fully generative world models aim for unlimited environments at the expense of controllability and practical engineering. In this work, we introduce the Web World Model (WWM), a middle ground where world state and ``physics'' are implemented in ordinary web code to ensure logical consistency, while large language models generate context, narratives, and high-level decisions on top of this structured latent state. We build a suite of WWMs on a realistic web stack, including an infinite travel atlas grounded in real geography, fictional galaxy explorers, web-scale encyclopedic and narrative worlds, and simulation- and game-like environments. Across these systems, we identify practical design principles for WWMs: separating code-defined rules from model-driven imagination, representing latent state as typed web interfaces, and utilizing deterministic generation to achieve unlimited but structured exploration. Our results suggest that web stacks themselves can serve as a scalable substrate for world models, enabling controllable yet open-ended environments. Project Page: https://github.com/Princeton-AI2-Lab/Web-World-Models.

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

Agricultural pest management increasingly relies on timely and accurate access to expert knowledge, yet high quality labeled data and continuous expert support remain limited, particularly for farmers operating in rural regions with unstable/no internet connectivity. At the same time, the rapid growth of AI and LLMs has created new opportunities to deliver practical decision support tools directly to end users in agriculture through compact and deployable systems. This work addresses (i) generating a structured insect information dataset, and (ii) adapting a lightweight LLM model (leq 7B) by fine tuning it for edge device uses in agricultural pest management. The textual data collection was done by reviewing and collecting information from available pest databases and published manuscripts on nine selected pest species. These structured reports were then reviewed and validated by a domain expert. From these reports, we constructed Q/A pairs to support model training and evaluation. A LoRA-based fine-tuning approach was applied to multiple lightweight LLMs and evaluated. Initial evaluation shows that Mistral 7B achieves an 88.9\% pass rate on the domain-specific Q/A task, substantially outperforming Qwen 2.5 7B (63.9\%), and LLaMA 3.1 8B (58.7\%). Notably, Mistral demonstrates higher semantic alignment (embedding similarity: 0.865) despite lower lexical overlap (BLEU: 0.097), indicating that semantic understanding and robust reasoning are more predictive of task success than surface-level conformity in specialized domains. By combining expert organized data, well-structured Q/A pairs, semantic quality control, and efficient model adaptation, this work contributes towards providing support for farmer facing agricultural decision support tools and demonstrates the feasibility of deploying compact, high-performing language models for practical field-level pest management guidance.

Structured images (e.g., charts and geometric diagrams) remain challenging for multimodal large language models (MLLMs), as perceptual slips can cascade into erroneous conclusions. Intermediate visual cues can steer reasoning; however, existing cue-based methods are constrained with low-fidelity image processing and linear, rigid reasoning patterns, limiting their effectiveness on complex structured-image tasks. In this paper, we propose PixelCraft, a novel multi-agent system for high-fidelity image processing and flexible visual reasoning on structured images. The system comprises a dispatcher, a planner, a reasoner, critics, and a set of visual tool agents. To achieve high-fidelity processing, we construct a high-quality corpus and fine-tune an MLLM into a grounding model, whose pixel-level localizations are integrated with traditional computer vision (CV) algorithms in tool agents. Building on this foundation, PixelCraft facilitates flexible visual reasoning through a dynamic three-stage workflow of tool selection, agent discussion, and self-criticism. Moreover, unlike prior linear reasoning patterns that simply append historical images, PixelCraft maintains an image memory to allow the planner to adaptively revisit earlier visual steps, explore alternative reasoning branches, and dynamically adjust the reasoning trajectory during discussion. Extensive experiments on challenging chart and geometry benchmarks demonstrate that PixelCraft significantly improves visual reasoning performance for advanced MLLMs, setting a new standard for structured image reasoning. Our code will be available at https://github.com/microsoft/PixelCraft.

The recent 3D Gaussian splatting (3D-GS) has shown remarkable rendering fidelity and efficiency compared to NeRF-based neural scene representations. While demonstrating the potential for real-time rendering, 3D-GS encounters rendering bottlenecks in large scenes with complex details due to an excessive number of Gaussian primitives located within the viewing frustum. This limitation is particularly noticeable in zoom-out views and can lead to inconsistent rendering speeds in scenes with varying details. Moreover, it often struggles to capture the corresponding level of details at different scales with its heuristic density control operation. Inspired by the Level-of-Detail (LOD) techniques, we introduce Octree-GS, featuring an LOD-structured 3D Gaussian approach supporting level-of-detail decomposition for scene representation that contributes to the final rendering results. Our model dynamically selects the appropriate level from the set of multi-resolution anchor points, ensuring consistent rendering performance with adaptive LOD adjustments while maintaining high-fidelity rendering results.

Recent text-to-video (T2V) diffusion models rely heavily on auxiliary reward signals (e.g., via reward models or DPO) to align generated content with human aesthetics and improve realism. These signals, however, incur substantial computational overhead, require costly human annotations, and often yield limited improvement in fine-grained local details. In this paper, we argue that your data manifold is secretly a reward model. By explicitly modeling the manifold structure of high-quality Supervised Fine-Tuning (SFT) data and encouraging video latents to lie on this manifold, we derive dense, differentiable, and nearly cost-free reward signals that significantly improve video quality, particularly in mitigating low-level distortions. Our modeling builds upon Local Coordinate Coding (LCC), which captures the `skeleton' of the manifold. However, directly applying LCC suffers from mean regression, pulling latents toward the geometric mean and losing high-frequency details. We therefore extend it to Shell Local Coordinate Coding (Shell-LCC), which models the manifold `surface' as an isotropic shell to align with the true high-density region. Experiments demonstrate that our approach improves realism, enhances high-frequency details, reduces over-smoothing artifacts, and alleviates motion blur.

Despite the remarkable success of deep neural networks in a myriad of settings, several works have demonstrated their overwhelming sensitivity to near-imperceptible perturbations, known as adversarial attacks. On the other hand, prior works have also observed that deep networks can be under-sensitive, wherein large-magnitude perturbations in input space do not induce appreciable changes to network activations. In this work, we study in detail the phenomenon of under-sensitivity in vision models such as CNNs and Transformers, and present techniques to study the geometry and extent of "equi-confidence" level sets of such networks. We propose a Level Set Traversal algorithm that iteratively explores regions of high confidence with respect to the input space using orthogonal components of the local gradients. Given a source image, we use this algorithm to identify inputs that lie in the same equi-confidence level set as the source image despite being perceptually similar to arbitrary images from other classes. We further observe that the source image is linearly connected by a high-confidence path to these inputs, uncovering a star-like structure for level sets of deep networks. Furthermore, we attempt to identify and estimate the extent of these connected higher-dimensional regions over which the model maintains a high degree of confidence. The code for this project is publicly available at https://github.com/SriramB-98/blindspots-neurips-sub

Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions pose significant challenges for accurately modeling arbitrary material candidates and forecasting their properties. We present MatterSim, a deep learning model actively learned from large-scale first-principles computations, for efficient atomistic simulations at first-principles level and accurate prediction of broad material properties across the periodic table, spanning temperatures from 0 to 5000 K and pressures up to 1000 GPa. Out-of-the-box, the model serves as a machine learning force field, and shows remarkable capabilities not only in predicting ground-state material structures and energetics, but also in simulating their behavior under realistic temperatures and pressures, signifying an up to ten-fold enhancement in precision compared to the prior best-in-class. This enables MatterSim to compute materials' lattice dynamics, mechanical and thermodynamic properties, and beyond, to an accuracy comparable with first-principles methods. Specifically, MatterSim predicts Gibbs free energies for a wide range of inorganic solids with near-first-principles accuracy and achieves a 15 meV/atom resolution for temperatures up to 1000K compared with experiments. This opens an opportunity to predict experimental phase diagrams of materials at minimal computational cost. Moreover, MatterSim also serves as a platform for continuous learning and customization by integrating domain-specific data. The model can be fine-tuned for atomistic simulations at a desired level of theory or for direct structure-to-property predictions, achieving high data efficiency with a reduction in data requirements by up to 97%.

The rapid advancement of large language models (LLMs) such as GPT-3, PaLM, and Llama has significantly transformed natural language processing, showcasing remarkable capabilities in understanding and generating language. However, these models often struggle with tasks requiring complex reasoning, particularly in mathematical problem-solving, due in part to the scarcity of large-scale, high-quality, domain-specific datasets necessary for training sophisticated reasoning abilities. To address this limitation, we introduce Template-based Data Generation (TDG), a novel approach that leverages LLMs (GPT-4) to automatically generate parameterized meta-templates, which are then used to synthesize a vast array of high-quality problems and solutions. Leveraging TDG, we create TemplateMath Part I: TemplateGSM, a dataset comprising over 7 million synthetically generated grade school math problems--each accompanied by code-based and natural language solutions--with the potential to generate an effectively unlimited number more. This dataset alleviates the scarcity of large-scale mathematical datasets and serves as a valuable resource for pre-training, fine-tuning, and evaluating LLMs in mathematical reasoning. Our method not only enables the generation of virtually infinite data but also elevates data augmentation to a new level by using GPT-4 for meta-template generation, ensuring diverse and high-quality problem structures. The TemplateMath Part I: TemplateGSM dataset is publicly available at https://huggingface.co/datasets/math-ai/TemplateGSM. The code is available at https://github.com/iiis-ai/TemplateMath.

Scene text editing, a subfield of image editing, requires modifying texts in images while preserving style consistency and visual coherence with the surrounding environment. While diffusion-based methods have shown promise in text generation, they still struggle to produce high-quality results. These methods often generate distorted or unrecognizable characters, particularly when dealing with complex characters like Chinese. In such systems, characters are composed of intricate stroke patterns and spatial relationships that must be precisely maintained. We present GlyphMastero, a specialized glyph encoder designed to guide the latent diffusion model for generating texts with stroke-level precision. Our key insight is that existing methods, despite using pretrained OCR models for feature extraction, fail to capture the hierarchical nature of text structures - from individual strokes to stroke-level interactions to overall character-level structure. To address this, our glyph encoder explicitly models and captures the cross-level interactions between local-level individual characters and global-level text lines through our novel glyph attention module. Meanwhile, our model implements a feature pyramid network to fuse the multi-scale OCR backbone features at the global-level. Through these cross-level and multi-scale fusions, we obtain more detailed glyph-aware guidance, enabling precise control over the scene text generation process. Our method achieves an 18.02\% improvement in sentence accuracy over the state-of-the-art multi-lingual scene text editing baseline, while simultaneously reducing the text-region Fr\'echet inception distance by 53.28\%.

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate to longer proteins and protein complexes well. They also fail to account for the underlying biological mechanisms carried out by biomolecular interactions and dynamics i.e., proteins often interact with other proteins, molecules, and pathways in complex biological systems. In this work, we propose LC-PLM based on an alternative protein LM architecture, BiMamba-S, built off selective structured state-space models, to learn high-quality universal protein representations at the amino acid token level using masked language modeling. We also introduce its graph-contextual variant, LC-PLM-G, which contextualizes protein-protein interaction (PPI) graphs for a second stage of training. LC-PLM demonstrates favorable neural scaling laws, better length extrapolation capability, and a 7% to 34% improvement on protein downstream tasks than Transformer-based ESM-2. LC-PLM-G further trained within the context of PPI graphs shows promising results on protein structure and function prediction tasks. Our study demonstrates the benefit of increasing the context size with computationally efficient LM architecture (e.g. structured state space models) in learning universal protein representations and incorporating molecular interaction context contained in biological graphs.

Modern model hubs, such as Hugging Face, store tens of petabytes of LLMs, with fine-tuned variants vastly outnumbering base models and dominating storage consumption. Existing storage reduction techniques -- such as deduplication and compression -- are either LLM-oblivious or not compatible with each other, limiting data reduction effectiveness. Our large-scale characterization study across all publicly available Hugging Face LLM repositories reveals several key insights: (1) fine-tuned models within the same family exhibit highly structured, sparse parameter differences suitable for delta compression; (2) bitwise similarity enables LLM family clustering; and (3) tensor-level deduplication is better aligned with model storage workloads, achieving high data reduction with low metadata overhead. Building on these insights, we design BitX, an effective, fast, lossless delta compression algorithm that compresses XORed difference between fine-tuned and base LLMs. We build ZipLLM, a model storage reduction pipeline that unifies tensor-level deduplication and lossless BitX compression. By synergizing deduplication and compression around LLM family clustering, ZipLLM reduces model storage consumption by 54%, over 20% higher than state-of-the-art deduplication and compression approaches.

Most visual generative models compress images into a latent space before applying diffusion or autoregressive modelling. Yet, existing approaches such as VAEs and foundation model aligned encoders implicitly constrain the latent space without explicitly shaping its distribution, making it unclear which types of distributions are optimal for modeling. We introduce Distribution-Matching VAE (DMVAE), which explicitly aligns the encoder's latent distribution with an arbitrary reference distribution via a distribution matching constraint. This generalizes beyond the Gaussian prior of conventional VAEs, enabling alignment with distributions derived from self-supervised features, diffusion noise, or other prior distributions. With DMVAE, we can systematically investigate which latent distributions are more conducive to modeling, and we find that SSL-derived distributions provide an excellent balance between reconstruction fidelity and modeling efficiency, reaching gFID equals 3.2 on ImageNet with only 64 training epochs. Our results suggest that choosing a suitable latent distribution structure (achieved via distribution-level alignment), rather than relying on fixed priors, is key to bridging the gap between easy-to-model latents and high-fidelity image synthesis. Code is avaliable at https://github.com/sen-ye/dmvae.

Video reasoning segmentation (VRS) endeavors to delineate referred objects in videos guided by implicit instructions that encapsulate human intent and temporal logic. Previous approaches leverage large vision language models (LVLMs) to encode object semantics into <SEG> tokens for mask prediction. However, this paradigm suffers from limited interpretability during inference and suboptimal performance due to inadequate spatiotemporal reasoning. Drawing inspiration from seminal breakthroughs in reinforcement learning, we introduce Veason-R1, a specialized LVLM for VRS that emphasizes structured reasoning in segmentation. Veason-R1 is trained through Group Relative Policy Optimization (GRPO) augmented with Chain-of-Thought (CoT) initialization. To begin with, we curate high-quality CoT training data to instill structured reasoning trajectories, bridging video-level semantics and frame-level spatial grounding, yielding the supervised fine-tuned model Veason-SFT. Subsequently, GRPO fine-tuning encourages efficient exploration of the reasoning space by optimizing reasoning chains. To this end, we incorporate a holistic reward mechanism that synergistically enhances spatial alignment and temporal consistency, bolstering keyframe localization and fine-grained grounding. Comprehensive empirical evaluations demonstrate that Veason-R1 achieves state-of-the-art performance on multiple benchmarks, surpassing prior art by significant margins (e.g., +1.3 J &F in ReVOS and +10.0 J &F in ReasonVOS), while exhibiting robustness to hallucinations (+8.8 R). Our code and model weights will be available at Veason-R1.

We target a 3D generative model for general natural scenes that are typically unique and intricate. Lacking the necessary volumes of training data, along with the difficulties of having ad hoc designs in presence of varying scene characteristics, renders existing setups intractable. Inspired by classical patch-based image models, we advocate for synthesizing 3D scenes at the patch level, given a single example. At the core of this work lies important algorithmic designs w.r.t the scene representation and generative patch nearest-neighbor module, that address unique challenges arising from lifting classical 2D patch-based framework to 3D generation. These design choices, on a collective level, contribute to a robust, effective, and efficient model that can generate high-quality general natural scenes with both realistic geometric structure and visual appearance, in large quantities and varieties, as demonstrated upon a variety of exemplar scenes.

Training reliable tool-augmented agents remains a significant challenge, largely due to the difficulty of credit assignment in multi-step reasoning. While process-level reward models offer a promising direction, existing LLM-based judges often produce noisy and inconsistent signals because they lack fine-grained, task-specific rubrics to distinguish high-level planning from low-level execution. In this work, we introduce SCRIBE (Skill-Conditioned Reward with Intermediate Behavioral Evaluation), a reinforcement learning framework that intervenes at a novel mid-level abstraction. SCRIBE grounds reward modeling in a curated library of skill prototypes, transforming open-ended LLM evaluation into a constrained verification problem. By routing each subgoal to a corresponding prototype, the reward model is equipped with precise, structured rubrics that substantially reduce reward variance. Experimental results show that SCRIBE achieves state-of-the-art performance across a range of reasoning and tool-use benchmarks. In particular, it improves the AIME25 accuracy of a Qwen3-4B model from 43.3% to 63.3%, and significantly increases success rates in complex multi-turn tool interactions. Further analysis of training dynamics reveals a co-evolution across abstraction levels, where mastery of mid-level skills consistently precedes the emergence of effective high-level planning behaviors. Finally, we demonstrate that SCRIBE is additive to low-level tool optimizations, providing a scalable and complementary pathway toward more autonomous and reliable tool-using agents.

A common design pattern in high-quality music generation is to handle structure and fidelity in different representation spaces: a generator first models high-level structure, followed by diffusion-based or neural decoding stages that reconstruct fine details. In this work, we explore an alternative view: both may be progressively modeled within a single deep acoustic-token hierarchy. To study this, we build a 64-layer residual vector quantization (RVQ) acoustic representation and propose a two-stage coarse-to-fine generation framework. A backbone model first generates coarse acoustic tokens for the full track, and a super-resolution model then completes finer tokens within the same acoustic token space. The super-resolution stage works at full-track scale and refines tokens layer by layer while running in parallel over time, leading to a fixed 62-step inference process. To jointly improve lyric alignment and fine-detail reconstruction, we further introduce hybrid-attention training: the alignment objective uses causal attention, while layer-wise refinement uses full attention. A key finding is that text--vocal alignment can emerge within pure acoustic-token language modeling, without requiring a separate semantic token stage. Moreover, initializing the super-resolution model from the trained backbone significantly improves convergence and final quality. Taken together, our results suggest that high-quality music generation can be effectively pursued without separating structure and fidelity into heterogeneous representation spaces. Instead, both can be progressively modeled within a unified acoustic-token hierarchy, pointing toward a simpler and more unified path to high-quality music generation.

Recently, diffusion- and flow-based generative models of protein structures have emerged as a powerful tool for de novo protein design. Here, we develop Proteina, a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture with up to 5x as many parameters as previous models. To meaningfully quantify performance, we introduce a new set of metrics that directly measure the distributional similarity of generated proteins with reference sets, complementing existing metrics. We further explore scaling training data to millions of synthetic protein structures and explore improved training and sampling recipes adapted to protein backbone generation. This includes fine-tuning strategies like LoRA for protein backbones, new guidance methods like classifier-free guidance and autoguidance for protein backbones, and new adjusted training objectives. Proteina achieves state-of-the-art performance on de novo protein backbone design and produces diverse and designable proteins at unprecedented length, up to 800 residues. The hierarchical conditioning offers novel control, enabling high-level secondary-structure guidance as well as low-level fold-specific generation.

Image editing using diffusion models has witnessed extremely fast-paced growth recently. There are various ways in which previous works enable controlling and editing images. Some works use high-level conditioning such as text, while others use low-level conditioning. Nevertheless, most of them lack fine-grained control over the properties of the different objects present in the image, i.e. object-level image editing. In this work, we consider an image as a composition of multiple objects, each defined by various properties. Out of these properties, we identify structure and appearance as the most intuitive to understand and useful for editing purposes. We propose Structure-and-Appearance Paired Diffusion model (PAIR-Diffusion), which is trained using structure and appearance information explicitly extracted from the images. The proposed model enables users to inject a reference image's appearance into the input image at both the object and global levels. Additionally, PAIR-Diffusion allows editing the structure while maintaining the style of individual components of the image unchanged. We extensively evaluate our method on LSUN datasets and the CelebA-HQ face dataset, and we demonstrate fine-grained control over both structure and appearance at the object level. We also applied the method to Stable Diffusion to edit any real image at the object level.

Large Vision-Language Models (LVLMs) demonstrate significant progress in multimodal understanding and reasoning, yet object hallucination remains a critical challenge. While existing research focuses on mitigating language priors or high-level statistical biases, they often overlook the internal complexities of the visual encoding process. We identify that visual statistical bias, arising from the inherent Bag-of-Patches behavior of Vision Encoders under weak structural supervision, acts as a contributing factor of object hallucinations. Under this bias, models prioritize local texture features within individual patches over holistic geometric structures. This tendency may induce spurious visual confidence and result in hallucinations. To address this, we introduce a training-free algorithm called Structure-Disrupted Contrastive Decoding (SDCD), which performs contrastive calibration of the output distribution by introducing a shuffled structure-disrupted view. By penalizing tokens that maintain high confidence under this structure-less view, SDCD effectively suppresses the texture-driven bias. Experimental results demonstrate that SDCD significantly mitigates hallucinations across multiple benchmarks and enhances the overall multimodal capabilities of LVLMs.

Large language models (LLMs) have shown increasing capacity at planning and executing a high-level goal in a live computer environment (e.g. MiniWoB++). To perform a task, recent works often require a model to learn from trace examples of the task via either supervised learning or few/many-shot prompting. Without these trace examples, it remains a challenge how an agent can autonomously learn and improve its control on a computer, which limits the ability of an agent to perform a new task. We approach this problem with a zero-shot agent that requires no given expert traces. Our agent plans for executable actions on a partially observed environment, and iteratively progresses a task by identifying and learning from its mistakes via self-reflection and structured thought management. On the easy tasks of MiniWoB++, we show that our zero-shot agent often outperforms recent SoTAs, with more efficient reasoning. For tasks with more complexity, our reflective agent performs on par with prior best models, even though previous works had the advantages of accessing expert traces or additional screen information.

Concept-based explanations quantify how high-level concepts (e.g., gender or experience) influence model behavior, which is crucial for decision-makers in high-stakes domains. Recent work evaluates the faithfulness of such explanations by comparing them to reference causal effects estimated from counterfactuals. In practice, existing benchmarks rely on costly human-written counterfactuals that serve as an imperfect proxy. To address this, we introduce a framework for constructing datasets containing structural counterfactual pairs: LIBERTy (LLM-based Interventional Benchmark for Explainability with Reference Targets). LIBERTy is grounded in explicitly defined Structured Causal Models (SCMs) of the text generation, interventions on a concept propagate through the SCM until an LLM generates the counterfactual. We introduce three datasets (disease detection, CV screening, and workplace violence prediction) together with a new evaluation metric, order-faithfulness. Using them, we evaluate a wide range of methods across five models and identify substantial headroom for improving concept-based explanations. LIBERTy also enables systematic analysis of model sensitivity to interventions: we find that proprietary LLMs show markedly reduced sensitivity to demographic concepts, likely due to post-training mitigation. Overall, LIBERTy provides a much-needed benchmark for developing faithful explainability methods.

Large Language Models (LLMs) are increasingly deployed in socially sensitive domains, yet their unpredictable behaviors, ranging from misaligned intent to inconsistent personality, pose significant risks. We introduce SteerEval, a hierarchical benchmark for evaluating LLM controllability across three domains: language features, sentiment, and personality. Each domain is structured into three specification levels: L1 (what to express), L2 (how to express), and L3 (how to instantiate), connecting high-level behavioral intent to concrete textual output. Using SteerEval, we systematically evaluate contemporary steering methods, revealing that control often degrades at finer-grained levels. Our benchmark offers a principled and interpretable framework for safe and controllable LLM behavior, serving as a foundation for future research.

Large language models (LLMs) have shown remarkable capabilities in isolated step-by-step reasoning tasks such as mathematics and programming, but their proficiency in long-horizon planning, where solutions require extended, structured sequences of interdependent actions, remains underexplored. Existing benchmarks typically assess LLMs through abstract or low-dimensional algorithmic tasks, failing to capture the complexity of realistic planning environments. We introduce HeroBench, a novel benchmark designed specifically to evaluate long-horizon planning and structured reasoning within complex RPG-inspired virtual worlds. HeroBench provides a rigorously constructed dataset of tasks covering a wide range of difficulties, a simulated environment to execute and validate agent plans, and detailed analytical tools for evaluating model performance. Tasks challenge models to formulate strategic plans, efficiently gather resources, master necessary skills, craft equipment, and defeat adversaries, reflecting practical scenarios' layered dependencies and constraints. Our extensive evaluation of 25 state-of-the-art LLMs, spanning both open-source and proprietary models, including the GPT-5 family, reveals substantial performance disparities rarely observed in conventional reasoning benchmarks. Detailed error analysis further uncovers specific weaknesses in current models' abilities to generate robust high-level plans and reliably execute structured actions. HeroBench thus not only significantly advances the evaluation of LLM reasoning but also provides a flexible, scalable foundation for future research into advanced, autonomous planning in virtual environments.

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

Comprehending 3D environments is vital for intelligent systems in domains like robotics and autonomous navigation. Voxel grids offer a structured representation of 3D space, but extracting high-level semantic meaning remains challenging. This paper proposes a novel approach utilizing a Vision-Language Model (VLM) to extract "voxel semantics"-object identity, color, and location-from voxel data. Critically, instead of employing complex 3D networks, our method processes the voxel space by systematically slicing it along a primary axis (e.g., the Z-axis, analogous to CT scan slices). These 2D slices are then formatted and sequentially fed into the image encoder of a standard VLM. The model learns to aggregate information across slices and correlate spatial patterns with semantic concepts provided by the language component. This slice-based strategy aims to leverage the power of pre-trained 2D VLMs for efficient 3D semantic understanding directly from voxel representations.

Recent fMRI-to-image approaches mainly focused on associating fMRI signals with specific conditions of pre-trained diffusion models. These approaches, while producing high-quality images, capture only a limited aspect of the complex information in fMRI signals and offer little detailed control over image creation. In contrast, this paper proposes to directly modulate the generation process of diffusion models using fMRI signals. Our approach, NeuroPictor, divides the fMRI-to-image process into three steps: i) fMRI calibrated-encoding, to tackle multi-individual pre-training for a shared latent space to minimize individual difference and enable the subsequent cross-subject training; ii) fMRI-to-image cross-subject pre-training, perceptually learning to guide diffusion model with high- and low-level conditions across different individuals; iii) fMRI-to-image single-subject refining, similar with step ii but focus on adapting to particular individual. NeuroPictor extracts high-level semantic features from fMRI signals that characterizing the visual stimulus and incrementally fine-tunes the diffusion model with a low-level manipulation network to provide precise structural instructions. By training with over 60,000 fMRI-image pairs from various individuals, our model enjoys superior fMRI-to-image decoding capacity, particularly in the within-subject setting, as evidenced in benchmark datasets. Project page: https://jingyanghuo.github.io/neuropictor/.

Vision-Language-Action (VLA) models typically map visual observations and linguistic instructions directly to robotic control signals. This "black-box" mapping forces a single forward pass to simultaneously handle instruction interpretation, spatial grounding, and low-level control, often leading to poor spatial precision and limited robustness in out-of-distribution scenarios. To address these limitations, we propose VP-VLA, a dual-system framework that decouples high-level reasoning and low-level execution via a structured visual prompting interface. Specifically, a "System 2 Planner" decomposes complex instructions into sub-tasks and identifies relevant target objects and goal locations. These spatial anchors are then overlaid directly onto visual observations as structured visual prompts, such as crosshairs and bounding boxes. Guided by these prompts and enhanced by a novel auxiliary visual grounding objective during training, a "System 1 Controller" reliably generates precise low-level execution motions. Experiments on the Robocasa-GR1-Tabletop benchmark and SimplerEnv simulation demonstrate that VP-VLA improves success rates by 5% and 8.3%, surpassing competitive baselines including QwenOFT and GR00T-N1.6.

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

World Action Models (WAMs) have emerged as a new powerful paradigm for embodied intelligence, learning action-relevant visual dynamics that significantly enhance generalization and robustness. However, existing WAMs still struggle with task-relevant memory in long-horizon robotic manipulation. To address this, we present HiMem-WAM, a Hierarchical Memory-Gated WAM that integrates motion-centric latent actions, high-level skill latents, and boundary-triggered memory updates. Specifically, we develop a hierarchical latent action framework that jointly learns low-level motion and high-level skill latents, providing structured temporal abstraction. Meanwhile, a boundary-aware memory gate writes compact task states at predicted skill transitions, enabling causal inference without test-time generation of future video or optical flow estimation. Evaluated on LIBERO, LIBERO-PLUS, RMBench and real-world tasks, HiMem-WAM shows that hierarchical latents improve robustness under deployment perturbations, and the memory module substantially benefits memory-dependent long-horizon manipulation.

Chain-of-Thought (CoT) and its variants have markedly advanced the reasoning abilities of Large Language Models (LLMs), yet their monolithic and auto-regressive architecture inherently conflates high-level strategic planning with low-level step-by-step execution, leading to computational inefficiency, limited exploration of reasoning paths, and reduced interpretability. To overcome these issues, we propose the Explore-Execute Chain (E^2C), a structured reasoning framework that decouples reasoning into two distinct phases: an exploratory phase that stochastically generates succinct high-level plans, followed by an execution phase that deterministically carries out the chosen plan. Our approach incorporates a two-stage training methodology, which combines Supervised Fine-Tuning (SFT) - augmented by a novel data generation algorithm enforcing strict plan adherence - with a subsequent Reinforcement Learning (RL) stage that capitalizes on the informativeness of exploration and reinforces the determinism of execution. This decomposition enables an efficient test-time scaling strategy: on AIME'2024, E^2C Test Time Scaling reaches 58.1% accuracy using <10% of the decoding tokens required by comparable methods (e.g., Forest-of-Thought), sharply cutting self-consistency overhead. For cross-domain adaptation, our Exploration-Focused SFT (EF-SFT) fine-tunes with only 3.5% of the tokens used by standard SFT yet yields up to 14.5% higher accuracy than standard SFT on medical benchmarks, delivering state-of-the-art performance, strong generalization, and greater interpretability by separating planning from execution. The code and pre-trained models for the project are available at: https://github.com/yks23/Explore-Execute-Chain.git

Recent years have seen rapid advances in AI-driven image generation. Early diffusion models emphasized perceptual quality, while newer multimodal models like GPT-4o-image integrate high-level reasoning, improving semantic understanding and structural composition. Scientific illustration generation exemplifies this evolution: unlike general image synthesis, it demands accurate interpretation of technical content and transformation of abstract ideas into clear, standardized visuals. This task is significantly more knowledge-intensive and laborious, often requiring hours of manual work and specialized tools. Automating it in a controllable, intelligent manner would provide substantial practical value. Yet, no benchmark currently exists to evaluate AI on this front. To fill this gap, we introduce SridBench, the first benchmark for scientific figure generation. It comprises 1,120 instances curated from leading scientific papers across 13 natural and computer science disciplines, collected via human experts and MLLMs. Each sample is evaluated along six dimensions, including semantic fidelity and structural accuracy. Experimental results reveal that even top-tier models like GPT-4o-image lag behind human performance, with common issues in text/visual clarity and scientific correctness. These findings highlight the need for more advanced reasoning-driven visual generation capabilities.

Satellite image time-series analysis demands fine-grained spatial-temporal reasoning, which remains a challenge for existing multimodal large language models (MLLMs). In this work, we study the capabilities of MLLMs on a novel task that jointly targets temporal change understanding and future scene generation, aiming to assess their potential for modeling complex multimodal dynamics over time. We propose TAMMs, a Temporal-Aware Multimodal Model for satellite image change understanding and forecasting, which enhances frozen MLLMs with lightweight temporal modules for structured sequence encoding and contextual prompting. To guide future image generation, TAMMs introduces a Semantic-Fused Control Injection (SFCI) mechanism that adaptively combines high-level semantic reasoning and structural priors within an enhanced ControlNet. This dual-path conditioning enables temporally consistent and semantically grounded image synthesis. Experiments demonstrate that TAMMs outperforms strong MLLM baselines in both temporal change understanding and future image forecasting tasks, highlighting how carefully designed temporal reasoning and semantic fusion can unlock the full potential of MLLMs for spatio-temporal understanding.

We present a central-peripheral vision-inspired framework (CVP), a simple yet effective multimodal model for spatial reasoning that draws inspiration from the two types of human visual fields -- central vision and peripheral vision. Existing approaches primarily rely on unstructured representations, such as point clouds, voxels, or patch features, and inject scene context implicitly via coordinate embeddings. However, this often results in limited spatial reasoning capabilities due to the lack of explicit, high-level structural understanding. To address this limitation, we introduce two complementary components into a Large Multimodal Model-based architecture: target-affinity token, analogous to central vision, that guides the model's attention toward query-relevant objects; and allocentric grid, akin to peripheral vision, that captures global scene context and spatial arrangements. These components work in tandem to enable structured, context-aware understanding of complex 3D environments. Experiments show that CVP achieves state-of-the-art performance across a range of 3D scene understanding benchmarks.

Analogical reasoning is at the core of human cognition, serving as an important foundation for a variety of intellectual activities. While prior work has shown that LLMs can represent task patterns and surface-level concepts, it remains unclear whether these models can encode high-level relational concepts and apply them to novel situations through structured comparisons. In this work, we explore this fundamental aspect using proportional and story analogies, and identify three key findings. First, LLMs effectively encode the underlying relationships between analogous entities; both attributive and relational information propagate through mid-upper layers in correct cases, whereas reasoning failures reflect missing relational information within these layers. Second, unlike humans, LLMs often struggle not only when relational information is missing, but also when attempting to apply it to new entities. In such cases, strategically patching hidden representations at critical token positions can facilitate information transfer to a certain extent. Lastly, successful analogical reasoning in LLMs is marked by strong structural alignment between analogous situations, whereas failures often reflect degraded or misplaced alignment. Overall, our findings reveal that LLMs exhibit emerging but limited capabilities in encoding and applying high-level relational concepts, highlighting both parallels and gaps with human cognition.

Despite the remarkable success of large language models (LLMs) on traditional natural language processing tasks, their planning ability remains a critical bottleneck in tackling complex multi-step reasoning tasks. Existing approaches mainly rely on prompting or task-specific fine-tuning, often suffering from poor robustness and cross-task generalization. To address the limitation, we introduce CodePlan, a scalable framework that empowers LLMs to generate and follow code-form plans -- pseudocode that outlines high-level, structured reasoning processes. By leveraging the structured and versatile nature of code, CodePlan effectively captures the rich semantics and control flows inherent to sophisticated reasoning tasks. Importantly, CodePlan allows automatic extraction of code-form plans from massive, wide-ranging text corpora without the need for curated, task-specific datasets. This enables it to scale up efficiently and improve LLM's reasoning capabilities across diverse scenarios. To train CodePlan, we construct a large-scale dataset of 2M examples that integrate code-form plans with standard prompt-response pairs from existing corpora. With minimal computation overhead during both training and inference, CodePlan achieves a 25.1\% relative improvement compared with directly generating responses, averaged across 13 challenging multi-step reasoning benchmarks, spanning mathematical reasoning, symbolic reasoning, instruction-following, multi-hop QA, and decision-making tasks. Further analysis reveals CodePlan's increasing performance gains on more complex reasoning tasks, as well as significant data efficiency thanks to its generalization ability.

Rich and context-aware activity logs facilitate user behavior analysis and health monitoring, making them a key research focus in ubiquitous computing. The remarkable semantic understanding and generation capabilities of Large Language Models (LLMs) have recently created new opportunities for activity log generation. However, existing methods continue to exhibit notable limitations in terms of accuracy, efficiency, and semantic richness. To address these challenges, we propose DailyLLM. To the best of our knowledge, this is the first log generation and summarization system that comprehensively integrates contextual activity information across four dimensions: location, motion, environment, and physiology, using only sensors commonly available on smartphones and smartwatches. To achieve this, DailyLLM introduces a lightweight LLM-based framework that integrates structured prompting with efficient feature extraction to enable high-level activity understanding. Extensive experiments demonstrate that DailyLLM outperforms state-of-the-art (SOTA) log generation methods and can be efficiently deployed on personal computers and Raspberry Pi. Utilizing only a 1.5B-parameter LLM model, DailyLLM achieves a 17% improvement in log generation BERTScore precision compared to the 70B-parameter SOTA baseline, while delivering nearly 10x faster inference speed.

Recent advances in long chain-of-thought (CoT) reasoning have largely prioritized answer accuracy and token efficiency, while overlooking aspects critical to trustworthiness. We argue that usable reasoning systems must be trustworthy, characterized by three properties: interpretability, faithfulness, and reliability. To this end, we propose ReFIne, a new training framework that integrates supervised fine-tuning with GRPO to encourage models to: (i) improve interpretability by producing structured, tag-based traces with high-level planning that are easier for humans to follow; (ii) enhance faithfulness by explicitly disclosing the decisive information guiding each solution, with consistent cross-section references; and (iii) promote reliability by providing self-assessments of both the derivation's soundness and the confidence of the final answer. We apply ReFIne to the Qwen3 models at multiple scales (1.7B/4B/8B) and evaluate across mathematical benchmarks of varying difficulty. Our experimental results show that ReFIne models generate clearer and better-structured reasoning traces (interpretability +44.0%), more faithfully expose their underlying decision process (faithfulness +18.8%), and offer informative confidence estimates (reliability +42.4%). These findings highlight an overlooked but important direction: reasoning models should be optimized not only for accuracy, but also for broader dimensions of trustworthiness. Our code is available at: https://github.com/Trustworthy-ML-Lab/Training_Trustworthy_LRM_with_Refine

Humanoid loco-manipulation, which integrates whole-body locomotion with dexterous manipulation, remains a fundamental challenge in robotics. Beyond whole-body coordination and balance, a central difficulty lies in understanding human instructions and translating them into coherent sequences of embodied actions. Recent advances in foundation models provide transferable multimodal representations and reasoning capabilities, yet existing efforts remain largely restricted to either locomotion or manipulation in isolation, with limited applicability to humanoid settings. In this paper, we propose Humanoid-COA, the first humanoid agent framework that integrates foundation model reasoning with an Embodied Chain-of-Action (CoA) mechanism for zero-shot loco-manipulation. Within the perception--reasoning--action paradigm, our key contribution lies in the reasoning stage, where the proposed CoA mechanism decomposes high-level human instructions into structured sequences of locomotion and manipulation primitives through affordance analysis, spatial inference, and whole-body action reasoning. Extensive experiments on two humanoid robots, Unitree H1-2 and G1, in both an open test area and an apartment environment, demonstrate that our framework substantially outperforms prior baselines across manipulation, locomotion, and loco-manipulation tasks, achieving robust generalization to long-horizon and unstructured scenarios. Project page: https://humanoid-coa.github.io/

Scientific Large Language Models (Sci-LLMs) have emerged as a promising frontier for accelerating biological discovery. However, these models face a fundamental challenge when processing raw biomolecular sequences: the tokenization dilemma. Whether treating sequences as a specialized language, risking the loss of functional motif information, or as a separate modality, introducing formidable alignment challenges, current strategies fundamentally limit their reasoning capacity. We challenge this sequence-centric paradigm by positing that a more effective strategy is to provide Sci-LLMs with high-level structured context derived from established bioinformatics tools, thereby bypassing the need to interpret low-level noisy sequence data directly. Through a systematic comparison of leading Sci-LLMs on biological reasoning tasks, we tested three input modes: sequence-only, context-only, and a combination of both. Our findings are striking: the context-only approach consistently and substantially outperforms all other modes. Even more revealing, the inclusion of the raw sequence alongside its high-level context consistently degrades performance, indicating that raw sequences act as informational noise, even for models with specialized tokenization schemes. These results suggest that the primary strength of existing Sci-LLMs lies not in their nascent ability to interpret biomolecular syntax from scratch, but in their profound capacity for reasoning over structured, human-readable knowledge. Therefore, we argue for reframing Sci-LLMs not as sequence decoders, but as powerful reasoning engines over expert knowledge. This work lays the foundation for a new class of hybrid scientific AI agents, repositioning the developmental focus from direct sequence interpretation towards high-level knowledge synthesis. The code is available at https://github.com/opendatalab-raiser/CoKE.

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

The emergence of Large Reasoning Models has introduced exceptionally long Chain-of-Thought traces, creating a transparency burden where critical logic is often buried under massive procedural text. To address this, we present ReasoningLens, an open-source framework designed for the hierarchical visualization and diagnostic auditing of complex reasoning chains. ReasoningLens addresses information necropsy by: (1) structuring traces into interactive hierarchies that separate high-level strategy from low-level execution; (2) leveraging an agentic auditor for automated error detection and tool-augmented verification; and (3) synthesizing systemic reasoning profiles to reveal model-specific blind spots. By transforming unstructured walls of text into actionable insights, ReasoningLens provides a modular foundation for interpreting, debugging, and optimizing the next generation of reasoning-centric AI.

General-domain text-guided image editors achieve strong photorealism but introduce artifacts, hallucinate objects, and break the orthographic constraints of remote sensing (RS) imagery. We trace this gap to two high-level causes: (i) limited RS world knowledge in pre-trained models, and (ii) conditioning schemes that misalign with the bi-temporal structure and spatial priors of Earth observation data. We present RSEdit, a unified framework that adapts pretrained text-to-image diffusion models - both U-Net and DiT - into instruction-following RS editors via channel concatenation and in-context token concatenation. Trained on over 60,000 semantically rich bi-temporal remote sensing image pairs, RSEdit learns precise, physically coherent edits while preserving geospatial content. Experiments show clear gains over general and commercial baselines, demonstrating strong generalizability across diverse scenarios including disaster impacts, urban growth, and seasonal shifts, positioning RSEdit as a robust data engine for downstream analysis. We will release code, pretrained models, evaluation protocols, training logs, and generated results for full reproducibility. Code: https://github.com/Bili-Sakura/RSEdit-Preview

Diffusion-based 3D generation has made remarkable progress in recent years. However, existing 3D generative models often produce overly dense and unstructured meshes, which stand in stark contrast to the compact, structured, and sharply-edged Computer-Aided Design (CAD) models crafted by human designers. To address this gap, we introduce CADDreamer, a novel approach for generating boundary representations (B-rep) of CAD objects from a single image. CADDreamer employs a primitive-aware multi-view diffusion model that captures both local geometric details and high-level structural semantics during the generation process. By encoding primitive semantics into the color domain, the method leverages the strong priors of pre-trained diffusion models to align with well-defined primitives. This enables the inference of multi-view normal maps and semantic maps from a single image, facilitating the reconstruction of a mesh with primitive labels. Furthermore, we introduce geometric optimization techniques and topology-preserving extraction methods to mitigate noise and distortion in the generated primitives. These enhancements result in a complete and seamless B-rep of the CAD model. Experimental results demonstrate that our method effectively recovers high-quality CAD objects from single-view images. Compared to existing 3D generation techniques, the B-rep models produced by CADDreamer are compact in representation, clear in structure, sharp in edges, and watertight in topology.

Human perception of 3D shapes goes beyond reconstructing them as a set of points or a composition of geometric primitives: we also effortlessly understand higher-level shape structure such as the repetition and reflective symmetry of object parts. In contrast, recent advances in 3D shape sensing focus more on low-level geometry but less on these higher-level relationships. In this paper, we propose 3D shape programs, integrating bottom-up recognition systems with top-down, symbolic program structure to capture both low-level geometry and high-level structural priors for 3D shapes. Because there are no annotations of shape programs for real shapes, we develop neural modules that not only learn to infer 3D shape programs from raw, unannotated shapes, but also to execute these programs for shape reconstruction. After initial bootstrapping, our end-to-end differentiable model learns 3D shape programs by reconstructing shapes in a self-supervised manner. Experiments demonstrate that our model accurately infers and executes 3D shape programs for highly complex shapes from various categories. It can also be integrated with an image-to-shape module to infer 3D shape programs directly from an RGB image, leading to 3D shape reconstructions that are both more accurate and more physically plausible.

In large language models (LLMs), code and reasoning reinforce each other: code offers an abstract, modular, and logic-driven structure that supports reasoning, while reasoning translates high-level goals into smaller, executable steps that drive more advanced code intelligence. In this study, we examine how code serves as a structured medium for enhancing reasoning: it provides verifiable execution paths, enforces logical decomposition, and enables runtime validation. We also explore how improvements in reasoning have transformed code intelligence from basic completion to advanced capabilities, enabling models to address complex software engineering tasks through planning and debugging. Finally, we identify key challenges and propose future research directions to strengthen this synergy, ultimately improving LLM's performance in both areas.

Existing video avatar models can produce fluid human animations, yet they struggle to move beyond mere physical likeness to capture a character's authentic essence. Their motions typically synchronize with low-level cues like audio rhythm, lacking a deeper semantic understanding of emotion, intent, or context. To bridge this gap, we propose a framework designed to generate character animations that are not only physically plausible but also semantically coherent and expressive. Our model, OmniHuman-1.5, is built upon two key technical contributions. First, we leverage Multimodal Large Language Models to synthesize a structured textual representation of conditions that provides high-level semantic guidance. This guidance steers our motion generator beyond simplistic rhythmic synchronization, enabling the production of actions that are contextually and emotionally resonant. Second, to ensure the effective fusion of these multimodal inputs and mitigate inter-modality conflicts, we introduce a specialized Multimodal DiT architecture with a novel Pseudo Last Frame design. The synergy of these components allows our model to accurately interpret the joint semantics of audio, images, and text, thereby generating motions that are deeply coherent with the character, scene, and linguistic content. Extensive experiments demonstrate that our model achieves leading performance across a comprehensive set of metrics, including lip-sync accuracy, video quality, motion naturalness and semantic consistency with textual prompts. Furthermore, our approach shows remarkable extensibility to complex scenarios, such as those involving multi-person and non-human subjects. Homepage: https://omnihuman-lab.github.io/v1_5/

Text-to-3D (T23D) generation has transformed digital content creation, yet remains bottlenecked by blind trial-and-error prompting processes that yield unpredictable results. While visual prompt engineering has advanced in text-to-image domains, its application to 3D generation presents unique challenges requiring multi-view consistency evaluation and spatial understanding. We present Sel3DCraft, a visual prompt engineering system for T23D that transforms unstructured exploration into a guided visual process. Our approach introduces three key innovations: a dual-branch structure combining retrieval and generation for diverse candidate exploration; a multi-view hybrid scoring approach that leverages MLLMs with innovative high-level metrics to assess 3D models with human-expert consistency; and a prompt-driven visual analytics suite that enables intuitive defect identification and refinement. Extensive testing and user studies demonstrate that Sel3DCraft surpasses other T23D systems in supporting creativity for designers.

Software development agents powered by large language models (LLMs) have shown great promise in automating tasks like environment setup, issue solving, and program repair. Unfortunately, understanding and debugging such agents remain challenging due to their complex and dynamic nature. Developers must reason about trajectories of LLM queries, tool calls, and code modifications, but current techniques reveal little of this intermediate process in a comprehensible format. The key insight of this paper is that debugging software development agents shares many similarities with conventional debugging of software programs, yet requires a higher level of abstraction that raises the level from low-level implementation details to high-level agent actions. Drawing on this insight, we introduce AgentStepper, the first interactive debugger for LLM-based software engineering agents. AgentStepper enables developers to inspect, control, and interactively manipulate agent trajectories. AgentStepper represents trajectories as structured conversations among an LLM, the agent program, and tools. It supports breakpoints, stepwise execution, and live editing of prompts and tool invocations, while capturing and displaying intermediate repository-level code changes. Our evaluation applies AgentStepper to three state-of-the-art software development agents, ExecutionAgent, SWE-Agent, and RepairAgent, showing that integrating the approach into existing agents requires minor code changes (39-42 edited lines). Moreover, we report on a user study with twelve participants, indicating that AgentStepper improves the ability of participants to interpret trajectories (64% vs. 67% mean performance) and identify bugs in the agent's implementation (17% vs. 60% success rate), while reducing perceived workload (e.g., frustration reduced from 5.4/7.0 to 2.4/7.0) compared to conventional tools.

Pixel-space diffusion has recently re-emerged as a strong alternative to latent diffusion, enabling high-quality generation without pretrained autoencoders. However, standard pixel-space diffusion models receive relatively weak semantic supervision and are not explicitly designed to capture high-level visual structure. Recent representation-alignment methods (e.g., REPA) suggest that pretrained visual features can substantially improve diffusion training, and visual co-denoising has emerged as a promising direction for incorporating such features into the generative process. However, existing co-denoising approaches often entangle multiple design choices, making it unclear which design choices are truly essential. Therefore, we present V-Co, a systematic study of visual co-denoising in a unified JiT-based framework. This controlled setting allows us to isolate the ingredients that make visual co-denoising effective. Our study reveals four key ingredients for effective visual co-denoising. First, preserving feature-specific computation while enabling flexible cross-stream interaction motivates a fully dual-stream architecture. Second, effective classifier-free guidance (CFG) requires a structurally defined unconditional prediction. Third, stronger semantic supervision is best provided by a perceptual-drifting hybrid loss. Fourth, stable co-denoising further requires proper cross-stream calibration, which we realize through RMS-based feature rescaling. Together, these findings yield a simple recipe for visual co-denoising. Experiments on ImageNet-256 show that, at comparable model sizes, V-Co outperforms the underlying pixel-space diffusion baseline and strong prior pixel-diffusion methods while using fewer training epochs, offering practical guidance for future representation-aligned generative models.

Large language models (LLMs) and multimodal models have become powerful general-purpose reasoning systems. However, radio-frequency (RF) signals, which underpin wireless systems, are still not natively supported by these models. Existing LLM-based approaches for telecom focus mainly on text and structured data, while conventional RF deep-learning models are built separately for specific signal-processing tasks, highlighting a clear gap between RF perception and high-level reasoning. To bridge this gap, we introduce RF-GPT, a radio-frequency language model (RFLM) that utilizes the visual encoders of multimodal LLMs to process and understand RF spectrograms. In this framework, complex in-phase/quadrature (IQ) waveforms are mapped to time-frequency spectrograms and then passed to pretrained visual encoders. The resulting representations are injected as RF tokens into a decoder-only LLM, which generates RF-grounded answers, explanations, and structured outputs. To train RF-GPT, we perform supervised instruction fine-tuning of a pretrained multimodal LLM using a fully synthetic RF corpus. Standards-compliant waveform generators produce wideband scenes for six wireless technologies, from which we derive time-frequency spectrograms, exact configuration metadata, and dense captions. A text-only LLM then converts these captions into RF-grounded instruction-answer pairs, yielding roughly 12,000 RF scenes and 0.625 million instruction examples without any manual labeling. Across benchmarks for wideband modulation classification, overlap analysis, wireless-technology recognition, WLAN user counting, and 5G NR information extraction, RF-GPT achieves strong multi-task performance, whereas general-purpose VLMs with no RF grounding largely fail.

Reconstructing images seen by people from their fMRI brain recordings provides a non-invasive window into the human brain. Despite recent progress enabled by diffusion models, current methods often lack faithfulness to the actual seen images. We present "Brain-IT", a brain-inspired approach that addresses this challenge through a Brain Interaction Transformer (BIT), allowing effective interactions between clusters of functionally-similar brain-voxels. These functional-clusters are shared by all subjects, serving as building blocks for integrating information both within and across brains. All model components are shared by all clusters & subjects, allowing efficient training with a limited amount of data. To guide the image reconstruction, BIT predicts two complementary localized patch-level image features: (i)high-level semantic features which steer the diffusion model toward the correct semantic content of the image; and (ii)low-level structural features which help to initialize the diffusion process with the correct coarse layout of the image. BIT's design enables direct flow of information from brain-voxel clusters to localized image features. Through these principles, our method achieves image reconstructions from fMRI that faithfully reconstruct the seen images, and surpass current SotA approaches both visually and by standard objective metrics. Moreover, with only 1-hour of fMRI data from a new subject, we achieve results comparable to current methods trained on full 40-hour recordings.

We present and evaluate a suite of proof-of-concept (PoC), structured workflow prompts designed to elicit human-like hierarchical reasoning while guiding Large Language Models (LLMs) in the high-level semantic and linguistic analysis of scholarly manuscripts. The prompts target two non-trivial analytical tasks within academic summaries (abstracts and conclusions): identifying unsubstantiated claims (informational integrity) and flagging semantically confusing ambiguous pronoun references (linguistic clarity). We conducted a systematic, multi-run evaluation on two frontier models (Gemini Pro 2.5 Pro and ChatGPT Plus o3) under varied context conditions. Our results for the informational integrity task reveal a significant divergence in model performance: while both models successfully identified an unsubstantiated head of a noun phrase (95% success), ChatGPT consistently failed (0% success) to identify an unsubstantiated adjectival modifier that Gemini correctly flagged (95% success), raising a question regarding the potential influence of the target's syntactic role. For the linguistic analysis task, both models performed well (80-90% success) with full manuscript context. Surprisingly, in a summary-only setting, Gemini's performance was substantially degraded, while ChatGPT achieved a perfect (100%) success rate. Our findings suggest that while structured prompting is a viable methodology for complex textual analysis, prompt performance may be highly dependent on the interplay between the model, task type, and context, highlighting the need for rigorous, model-specific testing.

Self-supervised pre-training based on next-token prediction has enabled large language models to capture the underlying structure of text, and has led to unprecedented performance on a large array of tasks when applied at scale. Similarly, autonomous driving generates vast amounts of spatiotemporal data, alluding to the possibility of harnessing scale to learn the underlying geometric and semantic structure of the environment and its evolution over time. In this direction, we propose a geometric and semantic self-supervised pre-training method, GASP, that learns a unified representation by predicting, at any queried future point in spacetime, (1) general occupancy, capturing the evolving structure of the 3D scene; (2) ego occupancy, modeling the ego vehicle path through the environment; and (3) distilled high-level features from a vision foundation model. By modeling geometric and semantic 4D occupancy fields instead of raw sensor measurements, the model learns a structured, generalizable representation of the environment and its evolution through time. We validate GASP on multiple autonomous driving benchmarks, demonstrating significant improvements in semantic occupancy forecasting, online mapping, and ego trajectory prediction. Our results demonstrate that continuous 4D geometric and semantic occupancy prediction provides a scalable and effective pre-training paradigm for autonomous driving. For code and additional visualizations, see \href{https://research.zenseact.com/publications/gasp/.

In this work, we address the task of table image to LaTeX code generation, with the goal of automating the reconstruction of high-quality, publication-ready tables from visual inputs. A central challenge of this task lies in accurately handling complex tables -- those with large sizes, deeply nested structures, and semantically rich or irregular cell content -- where existing methods often fail. We begin with a comprehensive analysis, identifying key challenges and highlighting the limitations of current evaluation protocols. To overcome these issues, we propose a reinforced multimodal large language model (MLLM) framework, where a pre-trained MLLM is fine-tuned on a large-scale table-to-LaTeX dataset. To further improve generation quality, we introduce a dual-reward reinforcement learning strategy based on Group Relative Policy Optimization (GRPO). Unlike standard approaches that optimize purely over text outputs, our method incorporates both a structure-level reward on LaTeX code and a visual fidelity reward computed from rendered outputs, enabling direct optimization of the visual output quality. We adopt a hybrid evaluation protocol combining TEDS-Structure and CW-SSIM, and show that our method achieves state-of-the-art performance, particularly on structurally complex tables, demonstrating the effectiveness and robustness of our approach.

Cell-level dense prediction is central to computational pathology, but remains challenging due to fine-grained histological structures, strong domain shifts, and costly dense annotations. Existing ViT-based pathology foundation models rely on patch tokenization, which can disrupt spatial continuity and weaken local morphological details needed for cell-level prediction. To address this, we propose Masked-Diffusion Convolutional Foundation Models, termed ConvNeXt Masked-Diffusion (CMD), a self-supervised convolutional generative pretraining framework for dense pathology representation learning. CMD uses a fully convolutional ConvNeXt-UNet backbone, performs masked-diffusion pretraining in pixel space, and incorporates frozen pathology foundation model features through adaptive normalization. Experimental results demonstrate that CMD consistently outperforms existing ViT-based pathology foundation models and even surpasses state-of-the-art end-to-end segmentation methods while fine-tuning only a small number of task-specific parameters across multiple pathology dense prediction tasks. The advantage is particularly pronounced under limited annotation settings, where CMD exhibits stronger robustness and generalization ability. Our findings suggest that purely convolutional architectures can also serve as competitive pathology foundation models for cell-level dense prediction, achieving leading performance within the current ViT-dominated paradigm and providing a scalable, high-performance solution that better preserves histological structural priors for fine-grained pathology understanding.

Software development is iterative, yet agentic coding benchmarks overwhelmingly evaluate single-shot solutions against complete specifications. Code can pass the test suite but become progressively harder to extend. Recent iterative benchmarks attempt to close this gap, but constrain the agent's design decisions too tightly to faithfully measure how code quality shapes future extensions. We introduce SlopCodeBench, a language-agnostic benchmark comprising 20 problems and 93 checkpoints, in which agents repeatedly extend their own prior solutions under evolving specifications that force architectural decisions without prescribing internal structure. We track two trajectory-level quality signals: verbosity, the fraction of redundant or duplicated code, and structural erosion, the share of complexity mass concentrated in high-complexity functions. No agent solves any problem end-to-end across 11 models; the highest checkpoint solve rate is 17.2%. Quality degrades steadily: erosion rises in 80% of trajectories and verbosity in 89.8%. Against 48 open-source Python repositories, agent code is 2.2x more verbose and markedly more eroded. Tracking 20 of those repositories over time shows that human code stays flat, while agent code deteriorates with each iteration. A prompt-intervention study shows that initial quality can be improved, but it does not halt degradation. These results demonstrate that pass-rate benchmarks systematically undermeasure extension robustness, and that current agents lack the design discipline iterative software development demands.

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

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Structure reasoning is a fundamental capability of large language models (LLMs), enabling them to reason about structured commonsense and answer multi-hop questions. However, existing benchmarks for structure reasoning mainly focus on horizontal and coordinate structures (e.g. graphs), overlooking the hierarchical relationships within them. Hierarchical structure reasoning is crucial for human cognition, particularly in memory organization and problem-solving. It also plays a key role in various real-world tasks, such as information extraction and decision-making. To address this gap, we propose HiBench, the first framework spanning from initial structure generation to final proficiency assessment, designed to benchmark the hierarchical reasoning capabilities of LLMs systematically. HiBench encompasses six representative scenarios, covering both fundamental and practical aspects, and consists of 30 tasks with varying hierarchical complexity, totaling 39,519 queries. To evaluate LLMs comprehensively, we develop five capability dimensions that depict different facets of hierarchical structure understanding. Through extensive evaluation of 20 LLMs from 10 model families, we reveal key insights into their capabilities and limitations: 1) existing LLMs show proficiency in basic hierarchical reasoning tasks; 2) they still struggle with more complex structures and implicit hierarchical representations, especially in structural modification and textual reasoning. Based on these findings, we create a small yet well-designed instruction dataset, which enhances LLMs' performance on HiBench by an average of 88.84\% (Llama-3.1-8B) and 31.38\% (Qwen2.5-7B) across all tasks. The HiBench dataset and toolkit are available here, https://github.com/jzzzzh/HiBench, to encourage evaluation.

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

Model cards describe model behavior through a mixture of textual descriptions and structured artifacts, including performance, configuration, and dataset tables. Existing model search systems rely predominantly on semantic similarity over text, which can produce homogeneous result sets and limit exploration of alternatives. We argue that model search is inherently comparative: users want models that are task-aligned yet differentiated in measurable ways. We hypothesize that this balance requires retrieval over condensed, high-quality evidence rather than verbose descriptions, and much of that evidence is concentrated in structured tables. We present StructuredSemanticSearch, a table-driven model search framework built on the ModelTables benchmark. Given a query, StructuredSemanticSearch combines a semantic baseline for task alignment with a structure-aware pipeline that discovers query-related model-card tables using table discovery operators such as unionability, joinability, and keyword search. Retrieved tables are mapped back to model cards under a controlled top-k budget, enabling fair comparison between text-based and table-based retrieval. Beyond retrieval, StructuredSemanticSearch adapts table integration to the model-table domain through orientation-aware integration, producing compact integrated views of tables from partially overlapping and sometimes transposed evidence tables. For evaluation, we introduce a nugget-based, auditable protocol that extracts compact evidence items from model cards, matches queries to condition- or intent-specific nuggets, and measures evidence coverage and diversity over retrieved model-card candidate sets. This protocol also provides a scalable path toward approximate, evidence-based labeling in dynamic model lakes. Experiments on 597 model-recommendation queries show improved nugget coverage for the structure-aware pipeline than semantic baseline

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

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

Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to high-quality, large-scale real-world hypergraph data. Yet, compared to traditional pairwise graphs, real hypergraph datasets remain scarce in both scale and diversity. This shortage significantly limits the development and evaluation of advanced hypergraph learning algorithms. Therefore, how to quickly generate large-scale hypergraphs that conform to the characteristics of real networks is a crucial task that has not received sufficient attention. Motivated by recent advances in large language models (LLMs), particularly their capabilities in semantic reasoning, structured generation, and simulating human behavior, we investigate whether LLMs can facilitate hypergraph generation from a fundamentally new perspective. We introduce HyperLLM, a novel LLM-driven hypergraph generator that simulates the formation and evolution of hypergraphs through a multi-agent collaboration. The framework integrates prompts and structural feedback mechanisms to ensure that the generated hypergraphs reflect key real-world patterns. Extensive experiments across diverse datasets demonstrate that HyperLLM achieves superior fidelity to structural and temporal hypergraph patterns, while requiring minimal statistical priors. Our findings suggest that LLM-based frameworks offer a promising new direction for hypergraph modeling.

Recent advancements in Large Language Models (LLMs) such as GPT4 have displayed exceptional multi-modal capabilities in following open-ended instructions given images. However, the performance of these models heavily relies on design choices such as network structures, training data, and training strategies, and these choices have not been extensively discussed in the literature, making it difficult to quantify progress in this field. To address this issue, this paper presents a systematic and comprehensive study, quantitatively and qualitatively, on training such models. We implement over 20 variants with controlled settings. Concretely, for network structures, we compare different LLM backbones and model designs. For training data, we investigate the impact of data and sampling strategies. For instructions, we explore the influence of diversified prompts on the instruction-following ability of the trained models. For benchmarks, we contribute the first, to our best knowledge, comprehensive evaluation set including both image and video tasks through crowd-sourcing. Based on our findings, we present Lynx, which performs the most accurate multi-modal understanding while keeping the best multi-modal generation ability compared to existing open-sourced GPT4-style models.

Graphs provide a natural representation of relational structure that arises across diverse domains. Despite this ubiquity, graph structure is typically learned in a modality- and task-isolated manner, where graph representations are constructed within individual task contexts and discarded thereafter. As a result, structural regularities across modalities and tasks are repeatedly reconstructed rather than accumulated at the level of intermediate graph representations. This motivates a representation-learning question: how should graph structure be organized so that it can persist and accumulate across heterogeneous modalities and tasks? We adopt a representation-centric perspective in which graph structure is treated as a structural substrate that persists across learning contexts. To instantiate this perspective, we propose G-Substrate, a graph substrate framework that organizes learning around shared graph structures. G-Substrate comprises two complementary mechanisms: a unified structural schema that ensures compatibility among graph representations across heterogeneous modalities and tasks, and an interleaved role-based training strategy that exposes the same graph structure to multiple functional roles during learning. Experiments across multiple domains, modalities, and tasks show that G-Substrate outperforms task-isolated and naive multi-task learning methods. The codebase, model, and datasets are available at https://github.com/zmli6/G-Substrate.

As there are now millions of publicly available neural networks, searching and analyzing large model repositories becomes increasingly important. Navigating so many models requires an atlas, but as most models are poorly documented charting such an atlas is challenging. To explore the hidden potential of model repositories, we chart a preliminary atlas representing the documented fraction of Hugging Face. It provides stunning visualizations of the model landscape and evolution. We demonstrate several applications of this atlas including predicting model attributes (e.g., accuracy), and analyzing trends in computer vision models. However, as the current atlas remains incomplete, we propose a method for charting undocumented regions. Specifically, we identify high-confidence structural priors based on dominant real-world model training practices. Leveraging these priors, our approach enables accurate mapping of previously undocumented areas of the atlas. We publicly release our datasets, code, and interactive atlas.

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and solving mathematical problems. However, many real-world data exhibit highly non-Euclidean latent hierarchical anatomy, such as protein networks, transportation networks, financial networks, brain networks, and linguistic structures or syntactic trees in natural languages. Effectively learning intrinsic semantic entailment and hierarchical relationships from these raw, unstructured input data using LLMs remains an underexplored area. Due to its effectiveness in modeling tree-like hierarchical structures, hyperbolic geometry -- a non-Euclidean space -- has rapidly gained popularity as an expressive latent representation space for complex data modeling across domains such as graphs, images, languages, and multi-modal data. Here, we provide a comprehensive and contextual exposition of recent advancements in LLMs that leverage hyperbolic geometry as a representation space to enhance semantic representation learning and multi-scale reasoning. Specifically, the paper presents a taxonomy of the principal techniques of Hyperbolic LLMs (HypLLMs) in terms of four main categories: (1) hyperbolic LLMs through exp/log maps; (2) hyperbolic fine-tuned models; (3) fully hyperbolic LLMs, and (4) hyperbolic state-space models. We also explore crucial potential applications and outline future research directions. A repository of key papers, models, datasets, and code implementations is available at https://github.com/sarangp2402/Hyperbolic-LLM-Models/tree/main.

Prompted models have demonstrated impressive few-shot learning abilities. Repeated interactions at test-time with a single model, or the composition of multiple models together, further expands capabilities. These compositions are probabilistic models, and may be expressed in the language of graphical models with random variables whose values are complex data types such as strings. Cases with control flow and dynamic structure require techniques from probabilistic programming, which allow implementing disparate model structures and inference strategies in a unified language. We formalize several existing techniques from this perspective, including scratchpads / chain of thought, verifiers, STaR, selection-inference, and tool use. We refer to the resulting programs as language model cascades.

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

Instruction tuning has recently been recognized as an effective way of aligning Large Language Models (LLMs) to enhance their generalization ability across various tasks. However, when tuning publicly accessible, centralized LLMs with private instruction data, privacy concerns are inevitable. While direct transfer of parameterized modules between models is a plausible approach to address this, its implications and effectiveness need further exploration. This paper focuses on Offsite-Tuning (OFT), a representative technique that transfers transformer blocks between centralized LLMs and downstream emulators. Given the limited understanding of the underlying mechanism of OFT, we perform an empirical analysis on LLMs from the perspectives of representation and functional similarity. Interestingly, our findings reveal a unique modular structure within the layers of LLMs that appears to emerge as the model size expands. Simultaneously, we note subtle but potentially significant changes in representation and intermediate predictions across the layers. Inspired by these observations, we propose CRaSh, involving Clustering, Removing, and Sharing, a training-free strategy to derive improved emulators from LLMs. CRaSh significantly boosts performance of OFT with billions of parameters. Furthermore, we investigate the optimal solutions yielded by fine-tuning with and without full model through the lens of loss landscape. Our findings demonstrate a linear connectivity among these optima falling over the same basin, thereby highlighting the effectiveness of CRaSh and OFT. The source code is publicly available at https://github.com/TsinghuaC3I/CRaSh.

Communicating complex system designs or scientific processes through text alone is inefficient and prone to ambiguity. A system that automatically generates scientific architecture diagrams from text with high semantic fidelity can be useful in multiple applications like enterprise architecture visualization, AI-driven software design, and educational content creation. Hence, in this paper, we focus on leveraging language models to perform semantic understanding of the input text description to generate intermediate code that can be processed to generate high-fidelity architecture diagrams. Unfortunately, no clean large-scale open-access dataset exists, implying lack of any effective open models for this task. Hence, we contribute a comprehensive dataset, \system, comprising scientific architecture images, their corresponding textual descriptions, and associated DOT code representations. Leveraging this resource, we fine-tune a suite of small language models, and also perform in-context learning using GPT-4o. Through extensive experimentation, we show that models significantly outperform existing baseline models like DiagramAgent and perform at par with in-context learning-based generations from GPT-4o. We make the code, data and models publicly available.

High-level synthesis (HLS) enables software developers to describe and implement hardware at a higher level of abstraction by using C/C++ instead of traditional hardware description languages to automatically generate FPGA-ready designs. However, generating HLS code significantly differs from standard C/C++: it disallows certain coding idioms, relies on specialized libraries, and critically requires fine-grained transformations and the insertion of optimization directives (pragmas) to achieve high performance. Large language models (LLMs) have shown promise in automating such transformations, yet existing open-source datasets lack sufficient complexity and optimization diversity. To address this gap, we introduce the HLStrans dataset, a comprehensive collection of 137 distinct real word programs, each annotated with a variety of C-to-HLS transformations that yield over 23K labeled design variants. These include a broad spectrum of pragmas and code-level optimizations. We benchmark state-of-the-art LLMs on this dataset to evaluate their ability to generate synthesizable, high-performance HLS code. As part of an ongoing effort, we plan to expand the HLStrans dataset in both scale and program variety, further empowering research at the intersection of AI and hardware synthesis.

We are entering a new era of composite model architectures that integrate diverse components such as vision encoders, language backbones, diffusion and flow heads, audio codecs, action generators, and world-model predictors. Such architectures underpin a broad class of multimodal models, including unified multimodal models, omni models, speech-language models, vision-language-action policies, and world models. However, existing model serving frameworks were built on narrow assumptions about model structure, making them ill-suited to accommodate this new architectural diversity. Here we present M*, a universal serving system for efficient serving of composite AI models. M* represents models as dataflow graphs, processing requests spanning diverse modalities and tasks as traversals over these graphs. The core insight is a modular abstraction that supports arbitrary composition of model components, flexible placement onto a physical cluster, and model-agnostic optimizations within a distributed runtime. We call this abstraction the Walk Graph and show how it can concisely capture composite models from a broad range of families. We instantiate M* on representative models and find that it achieves, on average, 20% lower end-to-end latency than vLLM-Omni for text-to-image workloads on BAGEL, while delivering up to 2.9x lower real-time factor and 2.7x higher throughput for text-to-speech workloads on Qwen3-Omni. M* also outperforms the V-JEPA 2-AC rollout baseline for robotic planning by up to 12.5x. Thus, our work paves the road towards more efficient serving of complex models with minimal developer effort.

The rapid expansion of Large Language Models (LLMs) has posed significant challenges regarding the computational resources required for fine-tuning and deployment. Recent advancements in low-rank adapters have demonstrated their efficacy in parameter-efficient fine-tuning (PEFT) of these models. This retrospective paper comprehensively discusses innovative approaches that synergize low-rank representations with Neural Architecture Search (NAS) techniques, particularly weight-sharing super-networks. Robust solutions for compressing and fine-tuning large pre-trained models are developed by integrating these methodologies. Our analysis highlights the potential of these combined strategies to democratize the use of LLMs, making them more accessible for deployment in resource-constrained environments. The resulting models exhibit reduced memory footprints and faster inference times, paving the way for more practical and scalable applications of LLMs. Models and code are available at https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning.

Reverse engineering 3D computer-aided design (CAD) models from images is an important task for many downstream applications including interactive editing, manufacturing, architecture, robotics, etc. The difficulty of the task lies in vast representational disparities between the CAD output and the image input. CAD models are precise, programmatic constructs that involve sequential operations combining discrete command structure with continuous attributes, making it challenging to learn and optimize in an end-to-end fashion. Concurrently, input images introduce inherent challenges such as photometric variability and sensor noise, complicating the reverse engineering process. In this work, we introduce a novel approach that conditionally factorizes the task into two sub-problems. First, we leverage vision-language foundation models (VLMs), a finetuned Llama3.2, to predict the global discrete base structure with semantic information. Second, we propose TrAssembler that, conditioned on the discrete structure with semantics, predicts the continuous attribute values. To support the training of our TrAssembler, we further constructed an annotated CAD dataset of common objects from ShapeNet. Putting all together, our approach and data demonstrate significant first steps towards CAD-ifying images in the wild. Code and data can be found in https://github.com/qq456cvb/Img2CAD.

The emergence of large-scale multi-modal generative models has drastically advanced artificial intelligence, introducing unprecedented levels of performance and functionality. However, optimizing these models remains challenging due to historically isolated paths of model-centric and data-centric developments, leading to suboptimal outcomes and inefficient resource utilization. In response, we present a novel sandbox suite tailored for integrated data-model co-development. This sandbox provides a comprehensive experimental platform, enabling rapid iteration and insight-driven refinement of both data and models. Our proposed "Probe-Analyze-Refine" workflow, validated through applications on state-of-the-art LLaVA-like and DiT based models, yields significant performance boosts, such as topping the VBench leaderboard. We also uncover fruitful insights gleaned from exhaustive benchmarks, shedding light on the critical interplay between data quality, diversity, and model behavior. With the hope of fostering deeper understanding and future progress in multi-modal data and generative modeling, our codes, datasets, and models are maintained and accessible at https://github.com/modelscope/data-juicer/blob/main/docs/Sandbox.md.

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

We present ModelTables, a benchmark of tables in Model Lakes that captures the structured semantics of performance and configuration tables often overlooked by text only retrieval. The corpus is built from Hugging Face model cards, GitHub READMEs, and referenced papers, linking each table to its surrounding model and publication context. Compared with open data lake tables, model tables are smaller yet exhibit denser inter table relationships, reflecting tightly coupled model and benchmark evolution. The current release covers over 60K models and 90K tables. To evaluate model and table relatedness, we construct a multi source ground truth using three complementary signals: (1) paper citation links, (2) explicit model card links and inheritance, and (3) shared training datasets. We present one extensive empirical use case for the benchmark which is table search. We compare canonical Data Lake search operators (unionable, joinable, keyword) and Information Retrieval baselines (dense, sparse, hybrid retrieval) on this benchmark. Union based semantic table retrieval attains 54.8 % P@1 overall (54.6 % on citation, 31.3 % on inheritance, 30.6 % on shared dataset signals); table based dense retrieval reaches 66.5 % P@1, and metadata hybrid retrieval achieves 54.1 %. This evaluation indicates clear room for developing better table search methods. By releasing ModelTables and its creation protocol, we provide the first large scale benchmark of structured data describing AI model. Our use case of table discovery in Model Lakes, provides intuition and evidence for developing more accurate semantic retrieval, structured comparison, and principled organization of structured model knowledge. Source code, data, and other artifacts have been made available at https://github.com/RJMillerLab/ModelTables.

Many graph representation learning (GRL) problems are dynamic, with millions of edges added or removed per second. A fundamental workload in this setting is dynamic link prediction: using a history of graph updates to predict whether a given pair of vertices will become connected. Recent schemes for link prediction in such dynamic settings employ Transformers, modeling individual graph updates as single tokens. In this work, we propose HOT: a model that enhances this line of works by harnessing higher-order (HO) graph structures; specifically, k-hop neighbors and more general subgraphs containing a given pair of vertices. Harnessing such HO structures by encoding them into the attention matrix of the underlying Transformer results in higher accuracy of link prediction outcomes, but at the expense of increased memory pressure. To alleviate this, we resort to a recent class of schemes that impose hierarchy on the attention matrix, significantly reducing memory footprint. The final design offers a sweetspot between high accuracy and low memory utilization. HOT outperforms other dynamic GRL schemes, for example achieving 9%, 7%, and 15% higher accuracy than - respectively - DyGFormer, TGN, and GraphMixer, for the MOOC dataset. Our design can be seamlessly extended towards other dynamic GRL workloads.

Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language generation and reasoning. However, their integration into automated software ecosystems is often hindered by the "Structure Gap" - the inherent tension between the probabilistic nature of token generation and the deterministic requirements of structured data formats (e.g., JSON, XML). Traditional Supervised Fine-Tuning (SFT) often fails to enforce strict syntactic constraints, leading to "hallucinated" keys or malformed structures, while constrained decoding methods impose significant inference latency. In this paper, we propose a lightweight, efficient Reinforcement Learning (RL) framework to bridge this gap. We introduce a novel Multi-dimensional Reward Function that decomposes the structured output task into a hierarchy of constraints: structural integrity, format correctness, content accuracy, and validity. Leveraging Gradient Regularized Policy Optimization (GRPO), we enable the model to internalize these constraints without the need for a separate critic network, reducing peak VRAM usage by 40% compared to PPO. We validate our approach on multiple tasks, including complex recipe generation and structured math reasoning (GSM8K-JSON). Experimental results demonstrate that our method achieves 89.7% structural accuracy and 92.1% JSON validity, significantly outperforming both zero-shot baselines (e.g., GPT-3.5) and SFT on larger models like LLaMA-3-8B. Furthermore, we provide a detailed analysis of training dynamics, revealing a distinct self-paced curriculum where the model sequentially acquires syntactic proficiency before semantic accuracy. Our model is publicly available at https://huggingface.co/Freakz3z/Qwen-JSON.

Structured data sources, such as tables, graphs, and databases, are ubiquitous knowledge sources. Despite the demonstrated capabilities of large language models (LLMs) on plain text, their proficiency in interpreting and utilizing structured data remains limited. Our investigation reveals a notable deficiency in LLMs' ability to process structured data, e.g., ChatGPT lags behind state-of-the-art (SoTA) model by an average of 35%. To augment the Structured Knowledge Grounding (SKG) capabilities in LLMs, we have developed a comprehensive instruction tuning dataset comprising 1.1 million examples. Utilizing this dataset, we train a series of models, referred to as StructLM, based on the Code-LLaMA architecture, ranging from 7B to 34B parameters. Our StructLM series surpasses task-specific models on 14 out of 18 evaluated datasets and establishes new SoTA achievements on 7 SKG tasks. Furthermore, StructLM demonstrates exceptional generalization across 6 novel SKG tasks. Contrary to expectations, we observe that scaling model size offers marginal benefits, with StructLM-34B showing only slight improvements over StructLM-7B. This suggests that structured knowledge grounding is still a challenging task and requires more innovative design to push to a new level.

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In this work, we explore the effects of Continued Pretraining (CPT), Supervised Fine-Tuning (SFT), and various preference-based optimization approaches, including Direct Preference Optimization (DPO) and Odds Ratio Preference Optimization (ORPO), on fine-tuned LLM performance. Our analysis shows how these strategies influence model outcomes and reveals that the merging of multiple fine-tuned models can lead to the emergence of capabilities that surpass the individual contributions of the parent models. We find that model merging leads to new functionalities that neither parent model could achieve alone, leading to improved performance in domain-specific assessments. Experiments with different model architectures are presented, including Llama 3.1 8B and Mistral 7B models, where similar behaviors are observed. Exploring whether the results hold also for much smaller models, we use a tiny LLM with 1.7 billion parameters and show that very small LLMs do not necessarily feature emergent capabilities under model merging, suggesting that model scaling may be a key component. In open-ended yet consistent chat conversations between a human and AI models, our assessment reveals detailed insights into how different model variants perform and show that the smallest model achieves a high intelligence score across key criteria including reasoning depth, creativity, clarity, and quantitative precision. Other experiments include the development of image generation prompts based on disparate biological material design concepts, to create new microstructures, architectural concepts, and urban design based on biological materials-inspired construction principles.

Large language models (LLMs) have shown promising potential in scientific research, enabling tasks ranging from knowledge retrieval to property prediction. Existing science benchmarks mainly focus on perceptual or knowledge-based tasks, largely ignoring the modelling tasks, a fundamental starting point for any real scientific research. For materials science, constructing and manipulating atomic structures is one of the most creative and least automated steps. In this work, we introduce AtomWorld, a benchmark designed to evaluate the abilities of LLMs on structure modifications. The benchmark includes ten fundamental actions under four widely used modelling categories, enabling verifiable evaluation metrics. We find that Claude Opus 4.6 generally performs the best. While the success rate decreases markedly with increasing modelling complexity, with particularly low success rates (below 12\% for rotation) for operations involving complex spatial relations. Our results suggest that contemporary LLMs are better suited as copilots for materials structure modelling rather than fully unsupervised autonomous scientific agents. Beyond evaluation, AtomWorld also serves as a testbed and playground for developing future structure-aware models, including reinforcement learning and agentic approaches.