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Jan 9

Dynamic Experts Search: Enhancing Reasoning in Mixture-of-Experts LLMs at Test Time

Test-Time Scaling (TTS) enhances the reasoning ability of large language models (LLMs) by allocating additional computation during inference. However, existing approaches primarily rely on output-level sampling while overlooking the role of model architecture. In mainstream Mixture-of-Experts (MoE) LLMs, we observe that varying the number of activated experts yields complementary solution sets with stable accuracy, revealing a new and underexplored source of diversity. Motivated by this observation, we propose Dynamic Experts Search (DES), a TTS strategy that elevates expert activation into a controllable dimension of the search space. DES integrates two key components: (1) Dynamic MoE, which enables direct control of expert counts during inference to generate diverse reasoning trajectories without additional cost; and (2) Expert Configuration Inheritance, which preserves consistent expert counts within a reasoning path while varying them across runs, thereby balancing stability and diversity throughout the search. Extensive experiments across MoE architectures, verifiers and reasoning benchmarks (i.e., math, code and knowledge) demonstrate that DES reliably outperforms TTS baselines, enhancing accuracy and stability without additional cost. These results highlight DES as a practical and scalable form of architecture-aware TTS, illustrating how structural flexibility in modern LLMs can advance reasoning.

  • 4 authors
·
Sep 26, 2025 1

Enhancing Abstractive Summarization of Scientific Papers Using Structure Information

Abstractive summarization of scientific papers has always been a research focus, yet existing methods face two main challenges. First, most summarization models rely on Encoder-Decoder architectures that treat papers as sequences of words, thus fail to fully capture the structured information inherent in scientific papers. Second, existing research often use keyword mapping or feature engineering to identify the structural information, but these methods struggle with the structural flexibility of scientific papers and lack robustness across different disciplines. To address these challenges, we propose a two-stage abstractive summarization framework that leverages automatic recognition of structural functions within scientific papers. In the first stage, we standardize chapter titles from numerous scientific papers and construct a large-scale dataset for structural function recognition. A classifier is then trained to automatically identify the key structural components (e.g., Background, Methods, Results, Discussion), which provides a foundation for generating more balanced summaries. In the second stage, we employ Longformer to capture rich contextual relationships across sections and generating context-aware summaries. Experiments conducted on two domain-specific scientific paper summarization datasets demonstrate that our method outperforms advanced baselines, and generates more comprehensive summaries. The code and dataset can be accessed at https://github.com/tongbao96/code-for-SFR-AS.

  • 3 authors
·
May 20, 2025

FlexiAct: Towards Flexible Action Control in Heterogeneous Scenarios

Action customization involves generating videos where the subject performs actions dictated by input control signals. Current methods use pose-guided or global motion customization but are limited by strict constraints on spatial structure, such as layout, skeleton, and viewpoint consistency, reducing adaptability across diverse subjects and scenarios. To overcome these limitations, we propose FlexiAct, which transfers actions from a reference video to an arbitrary target image. Unlike existing methods, FlexiAct allows for variations in layout, viewpoint, and skeletal structure between the subject of the reference video and the target image, while maintaining identity consistency. Achieving this requires precise action control, spatial structure adaptation, and consistency preservation. To this end, we introduce RefAdapter, a lightweight image-conditioned adapter that excels in spatial adaptation and consistency preservation, surpassing existing methods in balancing appearance consistency and structural flexibility. Additionally, based on our observations, the denoising process exhibits varying levels of attention to motion (low frequency) and appearance details (high frequency) at different timesteps. So we propose FAE (Frequency-aware Action Extraction), which, unlike existing methods that rely on separate spatial-temporal architectures, directly achieves action extraction during the denoising process. Experiments demonstrate that our method effectively transfers actions to subjects with diverse layouts, skeletons, and viewpoints. We release our code and model weights to support further research at https://shiyi-zh0408.github.io/projectpages/FlexiAct/

  • 5 authors
·
May 6, 2025 1

GSSF: Generalized Structural Sparse Function for Deep Cross-modal Metric Learning

Cross-modal metric learning is a prominent research topic that bridges the semantic heterogeneity between vision and language. Existing methods frequently utilize simple cosine or complex distance metrics to transform the pairwise features into a similarity score, which suffers from an inadequate or inefficient capability for distance measurements. Consequently, we propose a Generalized Structural Sparse Function to dynamically capture thorough and powerful relationships across modalities for pair-wise similarity learning while remaining concise but efficient. Specifically, the distance metric delicately encapsulates two formats of diagonal and block-diagonal terms, automatically distinguishing and highlighting the cross-channel relevancy and dependency inside a structured and organized topology. Hence, it thereby empowers itself to adapt to the optimal matching patterns between the paired features and reaches a sweet spot between model complexity and capability. Extensive experiments on cross-modal and two extra uni-modal retrieval tasks (image-text retrieval, person re-identification, fine-grained image retrieval) have validated its superiority and flexibility over various popular retrieval frameworks. More importantly, we further discover that it can be seamlessly incorporated into multiple application scenarios, and demonstrates promising prospects from Attention Mechanism to Knowledge Distillation in a plug-and-play manner. Our code is publicly available at: https://github.com/Paranioar/GSSF.

  • 6 authors
·
Oct 19, 2024

Endowing Protein Language Models with Structural Knowledge

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have emerged as the preferred method for this challenge, thanks to their ability to harness large sequence databases. Yet, their reliance on expansive sequence data and parameter sets limits their flexibility and practicality in real-world scenarios. Concurrently, the recent surge in computationally predicted protein structures unlocks new opportunities in protein representation learning. While promising, the computational burden carried by such complex data still hinders widely-adopted practical applications. To address these limitations, we introduce a novel framework that enhances protein language models by integrating protein structural data. Drawing from recent advances in graph transformers, our approach refines the self-attention mechanisms of pretrained language transformers by integrating structural information with structure extractor modules. This refined model, termed Protein Structure Transformer (PST), is further pretrained on a small protein structure database, using the same masked language modeling objective as traditional protein language models. Empirical evaluations of PST demonstrate its superior parameter efficiency relative to protein language models, despite being pretrained on a dataset comprising only 542K structures. Notably, PST consistently outperforms the state-of-the-art foundation model for protein sequences, ESM-2, setting a new benchmark in protein function prediction. Our findings underscore the potential of integrating structural information into protein language models, paving the way for more effective and efficient protein modeling Code and pretrained models are available at https://github.com/BorgwardtLab/PST.

  • 5 authors
·
Jan 26, 2024

FreeControl: Efficient, Training-Free Structural Control via One-Step Attention Extraction

Controlling the spatial and semantic structure of diffusion-generated images remains a challenge. Existing methods like ControlNet rely on handcrafted condition maps and retraining, limiting flexibility and generalization. Inversion-based approaches offer stronger alignment but incur high inference cost due to dual-path denoising. We present FreeControl, a training-free framework for semantic structural control in diffusion models. Unlike prior methods that extract attention across multiple timesteps, FreeControl performs one-step attention extraction from a single, optimally chosen key timestep and reuses it throughout denoising. This enables efficient structural guidance without inversion or retraining. To further improve quality and stability, we introduce Latent-Condition Decoupling (LCD): a principled separation of the key timestep and the noised latent used in attention extraction. LCD provides finer control over attention quality and eliminates structural artifacts. FreeControl also supports compositional control via reference images assembled from multiple sources - enabling intuitive scene layout design and stronger prompt alignment. FreeControl introduces a new paradigm for test-time control, enabling structurally and semantically aligned, visually coherent generation directly from raw images, with the flexibility for intuitive compositional design and compatibility with modern diffusion models at approximately 5 percent additional cost.

  • 10 authors
·
Nov 7, 2025

CodexGraph: Bridging Large Language Models and Code Repositories via Code Graph Databases

Large Language Models (LLMs) excel in stand-alone code tasks like HumanEval and MBPP, but struggle with handling entire code repositories. This challenge has prompted research on enhancing LLM-codebase interaction at a repository scale. Current solutions rely on similarity-based retrieval or manual tools and APIs, each with notable drawbacks. Similarity-based retrieval often has low recall in complex tasks, while manual tools and APIs are typically task-specific and require expert knowledge, reducing their generalizability across diverse code tasks and real-world applications. To mitigate these limitations, we introduce \framework, a system that integrates LLM agents with graph database interfaces extracted from code repositories. By leveraging the structural properties of graph databases and the flexibility of the graph query language, \framework enables the LLM agent to construct and execute queries, allowing for precise, code structure-aware context retrieval and code navigation. We assess \framework using three benchmarks: CrossCodeEval, SWE-bench, and EvoCodeBench. Additionally, we develop five real-world coding applications. With a unified graph database schema, \framework demonstrates competitive performance and potential in both academic and real-world environments, showcasing its versatility and efficacy in software engineering. Our application demo: https://github.com/modelscope/modelscope-agent/tree/master/apps/codexgraph_agent.

  • 8 authors
·
Aug 7, 2024 2

MajutsuCity: Language-driven Aesthetic-adaptive City Generation with Controllable 3D Assets and Layouts

Generating realistic 3D cities is fundamental to world models, virtual reality, and game development, where an ideal urban scene must satisfy both stylistic diversity, fine-grained, and controllability. However, existing methods struggle to balance the creative flexibility offered by text-based generation with the object-level editability enabled by explicit structural representations. We introduce MajutsuCity, a natural language-driven and aesthetically adaptive framework for synthesizing structurally consistent and stylistically diverse 3D urban scenes. MajutsuCity represents a city as a composition of controllable layouts, assets, and materials, and operates through a four-stage pipeline. To extend controllability beyond initial generation, we further integrate MajutsuAgent, an interactive language-grounded editing agent} that supports five object-level operations. To support photorealistic and customizable scene synthesis, we also construct MajutsuDataset, a high-quality multimodal dataset} containing 2D semantic layouts and height maps, diverse 3D building assets, and curated PBR materials and skyboxes, each accompanied by detailed annotations. Meanwhile, we develop a practical set of evaluation metrics, covering key dimensions such as structural consistency, scene complexity, material fidelity, and lighting atmosphere. Extensive experiments demonstrate MajutsuCity reduces layout FID by 83.7% compared with CityDreamer and by 20.1% over CityCraft. Our method ranks first across all AQS and RDR scores, outperforming existing methods by a clear margin. These results confirm MajutsuCity as a new state-of-the-art in geometric fidelity, stylistic adaptability, and semantic controllability for 3D city generation. We expect our framework can inspire new avenues of research in 3D city generation. Our dataset and code will be released at https://github.com/LongHZ140516/MajutsuCity.

SunYatsen Sun Yat-Sen University
·
Nov 25, 2025 2

Efficient LLMs with AMP: Attention Heads and MLP Pruning

Deep learning drives a new wave in computing systems and triggers the automation of increasingly complex problems. In particular, Large Language Models (LLMs) have significantly advanced cognitive tasks, often matching or even surpassing human-level performance. However, their extensive parameters result in high computational costs and slow inference, posing challenges for deployment in resource-limited settings. Among the strategies to overcome the aforementioned challenges, pruning emerges as a successful mechanism since it reduces model size while maintaining predictive ability. In this paper, we introduce AMP: Attention Heads and MLP Pruning, a novel structured pruning method that efficiently compresses LLMs by removing less critical structures within Multi-Head Attention (MHA) and Multilayer Perceptron (MLP). By projecting the input data onto weights, AMP assesses structural importance and overcomes the limitations of existing techniques, which often fall short in flexibility or efficiency. In particular, AMP surpasses the current state-of-the-art on commonsense reasoning tasks by up to 1.49 percentage points, achieving a 30% pruning ratio with minimal impact on zero-shot task performance. Moreover, AMP also improves inference speeds, making it well-suited for deployment in resource-constrained environments. We confirm the flexibility of AMP on different families of LLMs, including LLaMA and Phi.

  • 8 authors
·
Apr 29, 2025

ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. However, these models frequently focus on specific material objectives or structural properties, limiting their flexibility when incorporating out-of-domain knowledge into the design process or comprehensive data analysis is required. In this study, we introduce ProtAgents, a platform for de novo protein design based on Large Language Models (LLMs), where multiple AI agents with distinct capabilities collaboratively address complex tasks within a dynamic environment. The versatility in agent development allows for expertise in diverse domains, including knowledge retrieval, protein structure analysis, physics-based simulations, and results analysis. The dynamic collaboration between agents, empowered by LLMs, provides a versatile approach to tackling protein design and analysis problems, as demonstrated through diverse examples in this study. The problems of interest encompass designing new proteins, analyzing protein structures and obtaining new first-principles data -- natural vibrational frequencies -- via physics simulations. The concerted effort of the system allows for powerful automated and synergistic design of de novo proteins with targeted mechanical properties. The flexibility in designing the agents, on one hand, and their capacity in autonomous collaboration through the dynamic LLM-based multi-agent environment on the other hand, unleashes great potentials of LLMs in addressing multi-objective materials problems and opens up new avenues for autonomous materials discovery and design.

  • 2 authors
·
Jan 27, 2024

A molecular Ferroelectric thin film of imidazolium perchlorate on Silicon

Molecular ferroelectric materials have attracted widespread attention due to their abundant chemical diversity, structural tunability, low synthesis temperature, and high flexibility. Meanwhile, the integration of molecular ferroelectric materials and Si is still challenging, while the fundamental understanding of the ferroelectric switching process is still lacking. Herein, we have successfully synthesized the imidazole perchlorate (ImClO4) single crystals and a series of high-quality highly-oriented thin films on a Si substrate. A high inverse piezoelectric coefficient (55.7 pm/V) is demonstrated for the thin films. Two types of domain bands can be observed (in the size of a few microns): type-I band tilts ~60{\deg} with respect to the horizontal axis, while the type-II band is perpendicular to the horizontal axis. Most of the domain walls (DWs) are 180{\deg} DWs for the two bands, while some 109{\deg} DWs can also be observed. Interestingly, the DWs in type-I band are curved, charged domain walls; while the 180{\deg} DWs in type-II band are straight, noncharged domain walls. After applying +20 V for 5 s through a PFM tip, the 180{\deg} DWs in type-I band shrink first, then disconnect from the band boundary, forming a needle-like domain with a size of ~100 nm. The needle-like domain will extend toward the band boundary after an inverse bias is applied (-20 V), and expand along the band boundary after touching the boundary. Whereas for the type-II domain band, the 180{\deg} DWs are more mobile than the 109{\deg} domain walls, which displaces ~500 nm after applying +20 V. While such displacement is much shorter after the application of a negative bias for the same duration, starting from the positively poled sample. We hope to spur further interest in the on-chip design of the molecular ferroelectrics based electronic devices.

  • 5 authors
·
Sep 30, 2023

Enhancing Retrieval-Augmented Large Language Models with Iterative Retrieval-Generation Synergy

Large language models are powerful text processors and reasoners, but are still subject to limitations including outdated knowledge and hallucinations, which necessitates connecting them to the world. Retrieval-augmented large language models have raised extensive attention for grounding model generation on external knowledge. However, retrievers struggle to capture relevance, especially for queries with complex information needs. Recent work has proposed to improve relevance modeling by having large language models actively involved in retrieval, i.e., to improve retrieval with generation. In this paper, we show that strong performance can be achieved by a method we call Iter-RetGen, which synergizes retrieval and generation in an iterative manner. A model output shows what might be needed to finish a task, and thus provides an informative context for retrieving more relevant knowledge which in turn helps generate a better output in the next iteration. Compared with recent work which interleaves retrieval with generation when producing an output, Iter-RetGen processes all retrieved knowledge as a whole and largely preserves the flexibility in generation without structural constraints. We evaluate Iter-RetGen on multi-hop question answering, fact verification, and commonsense reasoning, and show that it can flexibly leverage parametric knowledge and non-parametric knowledge, and is superior to or competitive with state-of-the-art retrieval-augmented baselines while causing fewer overheads of retrieval and generation. We can further improve performance via generation-augmented retrieval adaptation.

  • 6 authors
·
May 24, 2023

Exploring Transformer Backbones for Heterogeneous Treatment Effect Estimation

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

  • 5 authors
·
Feb 2, 2022

ByteWrist: A Parallel Robotic Wrist Enabling Flexible and Anthropomorphic Motion for Confined Spaces

This paper introduces ByteWrist, a novel highly-flexible and anthropomorphic parallel wrist for robotic manipulation. ByteWrist addresses the critical limitations of existing serial and parallel wrists in narrow-space operations through a compact three-stage parallel drive mechanism integrated with arc-shaped end linkages. The design achieves precise RPY (Roll-Pitch-Yaw) motion while maintaining exceptional compactness, making it particularly suitable for complex unstructured environments such as home services, medical assistance, and precision assembly. The key innovations include: (1) a nested three-stage motor-driven linkages that minimize volume while enabling independent multi-DOF control, (2) arc-shaped end linkages that optimize force transmission and expand motion range, and (3) a central supporting ball functioning as a spherical joint that enhances structural stiffness without compromising flexibility. Meanwhile, we present comprehensive kinematic modeling including forward / inverse kinematics and a numerical Jacobian solution for precise control. Empirically, we observe ByteWrist demonstrates strong performance in narrow-space maneuverability and dual-arm cooperative manipulation tasks, outperforming Kinova-based systems. Results indicate significant improvements in compactness, efficiency, and stiffness compared to traditional designs, establishing ByteWrist as a promising solution for next-generation robotic manipulation in constrained environments.

  • 7 authors
·
Sep 22, 2025 2