new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Aug 21

CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling

The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab-initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study many technologically relevant phenomena, such as reactions, ion migrations, phase transformations, and degradation. In this work, we present the Crystal Hamiltonian Graph neural Network (CHGNet) as a novel machine-learning interatomic potential (MLIP), using a graph-neural-network-based force field to model a universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses, and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory static and relaxation trajectories of sim 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in Li_xMnO_2, the finite temperature phase diagram for Li_xFePO_4 and Li diffusion in garnet conductors. We critically analyze the significance of including charge information for capturing appropriate chemistry, and we provide new insights into ionic systems with additional electronic degrees of freedom that can not be observed by previous MLIPs.

  • 7 authors
·
Feb 27, 2023

Smaller But Better: Unifying Layout Generation with Smaller Large Language Models

We propose LGGPT, an LLM-based model tailored for unified layout generation. First, we propose Arbitrary Layout Instruction (ALI) and Universal Layout Response (ULR) as the uniform I/O template. ALI accommodates arbitrary layout generation task inputs across multiple layout domains, enabling LGGPT to unify both task-generic and domain-generic layout generation hitherto unexplored. Collectively, ALI and ULR boast a succinct structure that forgoes superfluous tokens typically found in existing HTML-based formats, facilitating efficient instruction tuning and boosting unified generation performance. In addition, we propose an Interval Quantization Encoding (IQE) strategy that compresses ALI into a more condensed structure. IQE precisely preserves valid layout clues while eliminating the less informative placeholders, facilitating LGGPT to capture complex and variable layout generation conditions during the unified training process. Experimental results demonstrate that LGGPT achieves superior or on par performance compared to existing methods. Notably, LGGPT strikes a prominent balance between proficiency and efficiency with a compact 1.5B parameter LLM, which beats prior 7B or 175B models even in the most extensive and challenging unified scenario. Furthermore, we underscore the necessity of employing LLMs for unified layout generation and suggest that 1.5B could be an optimal parameter size by comparing LLMs of varying scales. Code is available at https://github.com/NiceRingNode/LGGPT.

  • 5 authors
·
Feb 19, 2025

UniPT: Universal Parallel Tuning for Transfer Learning with Efficient Parameter and Memory

Fine-tuning pre-trained models has emerged as a powerful technique in numerous domains, owing to its ability to leverage enormous pre-existing knowledge and achieve remarkable performance on downstream tasks. However, updating the parameters of entire networks is computationally intensive. Although state-of-the-art parameter-efficient transfer learning (PETL) methods significantly reduce the trainable parameters and storage demand, almost all of them still need to back-propagate the gradients through large pre-trained networks. This memory-extensive characteristic extremely limits the applicability of PETL methods in real-world scenarios. To this end, we propose a new memory-efficient PETL strategy, dubbed Universal Parallel Tuning (UniPT). Specifically, we facilitate the transfer process via a lightweight learnable parallel network, which consists of two modules: 1) A parallel interaction module that decouples the inherently sequential connections and processes the intermediate activations detachedly of the pre-trained network. 2) A confidence aggregation module that learns optimal strategies adaptively for integrating cross-layer features. We evaluate UniPT with different backbones (e.g., VSEinfty, CLIP4Clip, Clip-ViL, and MDETR) on five challenging vision-and-language tasks (i.e., image-text retrieval, video-text retrieval, visual question answering, compositional question answering, and visual grounding). Extensive ablations on ten datasets have validated that our UniPT can not only dramatically reduce memory consumption and outperform the best memory-efficient competitor, but also achieve higher performance than existing PETL methods in a low-memory scenario on different architectures. Our code is publicly available at: https://github.com/Paranioar/UniPT.

  • 6 authors
·
Aug 28, 2023

ULIP: Learning a Unified Representation of Language, Images, and Point Clouds for 3D Understanding

The recognition capabilities of current state-of-the-art 3D models are limited by datasets with a small number of annotated data and a pre-defined set of categories. In its 2D counterpart, recent advances have shown that similar problems can be significantly alleviated by employing knowledge from other modalities, such as language. Inspired by this, leveraging multimodal information for 3D modality could be promising to improve 3D understanding under the restricted data regime, but this line of research is not well studied. Therefore, we introduce ULIP to learn a unified representation of images, texts, and 3D point clouds by pre-training with object triplets from the three modalities. To overcome the shortage of training triplets, ULIP leverages a pre-trained vision-language model that has already learned a common visual and textual space by training with massive image-text pairs. Then, ULIP learns a 3D representation space aligned with the common image-text space, using a small number of automatically synthesized triplets. ULIP is agnostic to 3D backbone networks and can easily be integrated into any 3D architecture. Experiments show that ULIP effectively improves the performance of multiple recent 3D backbones by simply pre-training them on ShapeNet55 using our framework, achieving state-of-the-art performance in both standard 3D classification and zero-shot 3D classification on ModelNet40 and ScanObjectNN. ULIP also improves the performance of PointMLP by around 3% in 3D classification on ScanObjectNN, and outperforms PointCLIP by 28.8% on top-1 accuracy for zero-shot 3D classification on ModelNet40. Our code and pre-trained models are released at https://github.com/salesforce/ULIP.

  • 9 authors
·
Dec 9, 2022 1

ULIP-2: Towards Scalable Multimodal Pre-training For 3D Understanding

Recent advancements in multimodal pre-training methods have shown promising efficacy in 3D representation learning by aligning features across 3D modality, their 2D counterpart modality, and corresponding language modality. However, the methods used by existing multimodal pre-training frameworks to gather multimodal data for 3D applications lack scalability and comprehensiveness, potentially constraining the full potential of multimodal learning. The main bottleneck lies in the language modality's scalability and comprehensiveness. To address this bottleneck, we introduce ULIP-2, a multimodal pre-training framework that leverages state-of-the-art multimodal large language models (LLMs) pre-trained on extensive knowledge to automatically generate holistic language counterparts for 3D objects. We conduct experiments on two large-scale datasets, Objaverse and ShapeNet55, and release our generated three-modality triplet datasets (3D Point Cloud - Image - Language), named "ULIP-Objaverse Triplets" and "ULIP-ShapeNet Triplets". ULIP-2 requires only 3D data itself and eliminates the need for any manual annotation effort, demonstrating its scalability; and ULIP-2 achieves remarkable improvements on downstream zero-shot classification on ModelNet40 (74% Top1 Accuracy). Moreover, ULIP-2 sets a new record on the real-world ScanObjectNN benchmark (91.5% Overall Accuracy) while utilizing only 1.4 million parameters(~10x fewer than current SOTA), signifying a breakthrough in scalable multimodal 3D representation learning without human annotations. The code and datasets are available at https://github.com/salesforce/ULIP.

  • 10 authors
·
May 14, 2023

Learning Inter-Atomic Potentials without Explicit Equivariance

Accurate and scalable machine-learned inter-atomic potentials (MLIPs) are essential for molecular simulations ranging from drug discovery to new material design. Current state-of-the-art models enforce roto-translational symmetries through equivariant neural network architectures, a hard-wired inductive bias that can often lead to reduced flexibility, computational efficiency, and scalability. In this work, we introduce TransIP: Transformer-based Inter-Atomic Potentials, a novel training paradigm for interatomic potentials achieving symmetry compliance without explicit architectural constraints. Our approach guides a generic non-equivariant Transformer-based model to learn SO(3)-equivariance by optimizing its representations in the embedding space. Trained on the recent Open Molecules (OMol25) collection, a large and diverse molecular dataset built specifically for MLIPs and covering different types of molecules (including small organics, biomolecular fragments, and electrolyte-like species), TransIP attains comparable performance in machine-learning force fields versus state-of-the-art equivariant baselines. Further, compared to a data augmentation baseline, TransIP achieves 40% to 60% improvement in performance across varying OMol25 dataset sizes. More broadly, our work shows that learned equivariance can be a powerful and efficient alternative to equivariant or augmentation-based MLIP models.

  • 6 authors
·
Sep 25, 2025

MCPToolBench++: A Large Scale AI Agent Model Context Protocol MCP Tool Use Benchmark

LLMs' capabilities are enhanced by using function calls to integrate various data sources or API results into the context window. Typical tools include search, web crawlers, maps, financial data, file systems, and browser usage, etc. Integrating these data sources or functions requires a standardized method. The Model Context Protocol (MCP) provides a standardized way to supply context to LLMs. However, the evaluation of LLMs and AI Agents' MCP tool use abilities suffer from several issues. First, there's a lack of comprehensive datasets or benchmarks to evaluate various MCP tools. Second, the diverse formats of response from MCP tool call execution further increase the difficulty of evaluation. Additionally, unlike existing tool-use benchmarks with high success rates in functions like programming and math functions, the success rate of real-world MCP tool is not guaranteed and varies across different MCP servers. Furthermore, the LLMs' context window also limits the number of available tools that can be called in a single run, because the textual descriptions of tool and the parameters have long token length for an LLM to process all at once. To help address the challenges of evaluating LLMs' performance on calling MCP tools, we propose MCPToolBench++, a large-scale, multi-domain AI Agent tool use benchmark. As of July 2025, this benchmark is build upon marketplace of over 4k MCP servers from more than 40 categories, collected from the MCP marketplaces and GitHub communities. The datasets consist of both single-step and multi-step tool calls across different categories. We evaluated SOTA LLMs with agentic abilities on this benchmark and reported the results.

  • 4 authors
·
Aug 10, 2025 2

UniVideo: Unified Understanding, Generation, and Editing for Videos

Unified multimodal models have shown promising results in multimodal content generation and editing but remain largely limited to the image domain. In this work, we present UniVideo, a versatile framework that extends unified modeling to the video domain. UniVideo adopts a dual-stream design, combining a Multimodal Large Language Model (MLLM) for instruction understanding with a Multimodal DiT (MMDiT) for video generation. This design enables accurate interpretation of complex multimodal instructions while preserving visual consistency. Built on this architecture, UniVideo unifies diverse video generation and editing tasks under a single multimodal instruction paradigm and is jointly trained across them. Extensive experiments demonstrate that UniVideo matches or surpasses state-of-the-art task-specific baselines in text/image-to-video generation, in-context video generation and in-context video editing. Notably, the unified design of UniVideo enables two forms of generalization. First, UniVideo supports task composition, such as combining editing with style transfer, by integrating multiple capabilities within a single instruction. Second, even without explicit training on free-form video editing, UniVideo transfers its editing capability from large-scale image editing data to this setting, handling unseen instructions such as green-screening characters or changing materials within a video. Beyond these core capabilities, UniVideo also supports visual-prompt-based video generation, where the MLLM interprets visual prompts and guides the MMDiT during synthesis. To foster future research, we will release our model and code.

KlingTeam Kling Team
·
Oct 9, 2025 7

UnifiedMLLM: Enabling Unified Representation for Multi-modal Multi-tasks With Large Language Model

Significant advancements has recently been achieved in the field of multi-modal large language models (MLLMs), demonstrating their remarkable capabilities in understanding and reasoning across diverse tasks. However, these models are often trained for specific tasks and rely on task-specific input-output formats, limiting their applicability to a broader range of tasks. This raises a fundamental question: Can we develop a unified approach to represent and handle different multi-modal tasks to maximize the generalizability of MLLMs? In this paper, we propose UnifiedMLLM, a comprehensive model designed to represent various tasks using a unified representation. Our model exhibits strong capabilities in comprehending the implicit intent of user instructions and preforming reasoning. In addition to generating textual responses, our model also outputs task tokens and grounding tokens, serving as indicators of task types and task granularity. These outputs are subsequently routed through the task router and directed to specific expert models for task completion. To train our model, we construct a task-specific dataset and an 100k multi-task dataset encompassing complex scenarios. Employing a three-stage training strategy, we equip our model with robust reasoning and task processing capabilities while preserving its generalization capacity and knowledge reservoir. Extensive experiments showcase the impressive performance of our unified representation approach across various tasks, surpassing existing methodologies. Furthermore, our approach exhibits exceptional scalability and generality. Our code, model, and dataset will be available at https://github.com/lzw-lzw/UnifiedMLLM.

  • 10 authors
·
Aug 5, 2024

Parameter-Inverted Image Pyramid Networks for Visual Perception and Multimodal Understanding

Image pyramids are widely adopted in top-performing methods to obtain multi-scale features for precise visual perception and understanding. However, current image pyramids use the same large-scale model to process multiple resolutions of images, leading to significant computational cost. To address this challenge, we propose a novel network architecture, called Parameter-Inverted Image Pyramid Networks (PIIP). Specifically, PIIP uses pretrained models (ViTs or CNNs) as branches to process multi-scale images, where images of higher resolutions are processed by smaller network branches to balance computational cost and performance. To integrate information from different spatial scales, we further propose a novel cross-branch feature interaction mechanism. To validate PIIP, we apply it to various perception models and a representative multimodal large language model called LLaVA, and conduct extensive experiments on various tasks such as object detection, segmentation, image classification and multimodal understanding. PIIP achieves superior performance compared to single-branch and existing multi-resolution approaches with lower computational cost. When applied to InternViT-6B, a large-scale vision foundation model, PIIP can improve its performance by 1%-2% on detection and segmentation with only 40%-60% of the original computation, finally achieving 60.0 box AP on MS COCO and 59.7 mIoU on ADE20K. For multimodal understanding, our PIIP-LLaVA achieves 73.0% accuracy on TextVQA and 74.5% on MMBench with only 2.8M training data. Our code is released at https://github.com/OpenGVLab/PIIP.

  • 11 authors
·
Jan 13, 2025 2

Distributional MIPLIB: a Multi-Domain Library for Advancing ML-Guided MILP Methods

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances. The dataset is publicly available at https://sites.google.com/usc.edu/distributional-miplib/home.

  • 4 authors
·
Jun 11, 2024

UniPASE: A Generative Model for Universal Speech Enhancement with High Fidelity and Low Hallucinations

Universal speech enhancement (USE) aims to restore speech signals from diverse distortions across multiple sampling rates. We propose UniPASE, an extension of the low-hallucination PASE framework tailored for USE. At its core is DeWavLM-Omni, a unified representation-level enhancement module fine-tuned from WavLM via knowledge distillation on a large-scale supervised multi-distortion dataset. This module directly converts degraded waveforms into clean and linguistically faithful phonetic representations, ensuring robust enhancement with minimal linguistic hallucination. Based on these enhanced phonetic representations, an Adapter generates enhanced acoustic representations containing rich acoustic details, which a neural Vocoder uses to reconstruct corresponding high-fidelity 16-kHz waveforms. A PostNet then converts the waveforms to 48~kHz before resampling them to their original rates, enabling seamless handling of inputs and outputs at multiple sampling rates. Experimental results on several evaluation datasets, covering sub-tasks and full tasks, demonstrate that UniPASE achieves superior or competitive performance compared with existing state-of-the-art models. The proposed model also serves as the backbone of our submission to the URGENT 2026 Challenge, which achieved 1st place in the objective evaluation. The source code and audio demos are available at https://github.com/xiaobin-rong/unipase/.

  • 5 authors
·
Apr 15

From Generator to Embedder: Harnessing Innate Abilities of Multimodal LLMs via Building Zero-Shot Discriminative Embedding Model

Multimodal Large Language Models (MLLMs) have emerged as a promising solution for universal embedding tasks, yet adapting their generative nature for discriminative representation learning remains a significant challenge. The dominant paradigm of large-scale contrastive pre-training suffers from critical inefficiencies, including prohibitive computational costs and a failure to leverage the intrinsic, instruction-following capabilities of MLLMs. To overcome these limitations, we propose an efficient framework for universal multimodal embeddings, which bridges this gap by centering on two synergistic components. First, our hierarchical embedding prompt template employs a two-level instruction architecture that forces the model to produce discriminative representations. Building on this strong foundation, our second component, self-aware hard negative sampling, redefines the fine-tuning process by leveraging the model's own understanding to efficiently mine challenging negatives while actively filtering out potential false negatives. Our comprehensive experiments show that our hierarchical prompt achieves zero-shot performance competitive with contrastively trained baselines and enhances the fine-tuning process by lifting a simple in-batch negative baseline by 4.8 points on the MMEB benchmark. We further boost the performance via our self-aware hard negative sampling, achieving the state-of-the-art performance without the contrative pre-training. Our work presents an effective and efficient pathway to adapt MLLMs for universal embedding tasks, significantly reducing training time.

  • 2 authors
·
Aug 1, 2025

A Benchmark for Quantum Chemistry Relaxations via Machine Learning Interatomic Potentials

Computational quantum chemistry plays a critical role in drug discovery, chemical synthesis, and materials science. While first-principles methods, such as density functional theory (DFT), provide high accuracy in modeling electronic structures and predicting molecular properties, they are computationally expensive. Machine learning interatomic potentials (MLIPs) have emerged as promising surrogate models that aim to achieve DFT-level accuracy while enabling efficient large-scale atomistic simulations. The development of accurate and transferable MLIPs requires large-scale, high-quality datasets with both energy and force labels. Critically, MLIPs must generalize not only to stable geometries but also to intermediate, non-equilibrium conformations encountered during atomistic simulations. In this work, we introduce PubChemQCR, a large-scale dataset of molecular relaxation trajectories curated from the raw geometry optimization outputs of the PubChemQC project. PubChemQCR is the largest publicly available dataset of DFT-based relaxation trajectories for small organic molecules, comprising approximately 3.5 million trajectories and over 300 million molecular conformations computed at various levels of theory. Each conformation is labeled with both total energy and atomic forces, making the dataset suitable for training and evaluating MLIPs. To provide baselines for future developments, we benchmark nine representative MLIP models on the dataset. Our resources are publicly available at https://huggingface.co/divelab

  • 11 authors
·
Jun 28, 2025

UniManip: General-Purpose Zero-Shot Robotic Manipulation with Agentic Operational Graph

Achieving general-purpose robotic manipulation requires robots to seamlessly bridge high-level semantic intent with low-level physical interaction in unstructured environments. However, existing approaches falter in zero-shot generalization: end-to-end Vision-Language-Action (VLA) models often lack the precision required for long-horizon tasks, while traditional hierarchical planners suffer from semantic rigidity when facing open-world variations. To address this, we present UniManip, a framework grounded in a Bi-level Agentic Operational Graph (AOG) that unifies semantic reasoning and physical grounding. By coupling a high-level Agentic Layer for task orchestration with a low-level Scene Layer for dynamic state representation, the system continuously aligns abstract planning with geometric constraints, enabling robust zero-shot execution. Unlike static pipelines, UniManip operates as a dynamic agentic loop: it actively instantiates object-centric scene graphs from unstructured perception, parameterizes these representations into collision-free trajectories via a safety-aware local planner, and exploits structured memory to autonomously diagnose and recover from execution failures. Extensive experiments validate the system's robust zero-shot capability on unseen objects and tasks, demonstrating a 22.5% and 25.0% higher success rate compared to state-of-the-art VLA and hierarchical baselines, respectively. Notably, the system enables direct zero-shot transfer from fixed-base setups to mobile manipulation without fine-tuning or reconfiguration. Our open-source project page can be found at https://henryhcliu.github.io/unimanip.

  • 7 authors
·
Feb 13

UniWeTok: An Unified Binary Tokenizer with Codebook Size 2^{128} for Unified Multimodal Large Language Model

Unified Multimodal Large Language Models (MLLMs) require a visual representation that simultaneously supports high-fidelity reconstruction, complex semantic extraction, and generative suitability. However, existing visual tokenizers typically struggle to satisfy these conflicting objectives within a single framework. In this paper, we introduce UniWeTok, a unified discrete tokenizer designed to bridge this gap using a massive binary codebook (2^{128}). For training framework, we introduce Pre-Post Distillation and a Generative-Aware Prior to enhance the semantic extraction and generative prior of the discrete tokens. In terms of model architecture, we propose a convolution-attention hybrid architecture with the SigLu activation function. SigLu activation not only bounds the encoder output and stabilizes the semantic distillation process but also effectively addresses the optimization conflict between token entropy loss and commitment loss. We further propose a three-stage training framework designed to enhance UniWeTok's adaptability cross various image resolutions and perception-sensitive scenarios, such as those involving human faces and textual content. On ImageNet, UniWeTok achieves state-of-the-art image generation performance (FID: UniWeTok 1.38 vs. REPA 1.42) while requiring a remarkably low training compute (Training Tokens: UniWeTok 33B vs. REPA 262B). On general-domain, UniWeTok demonstrates highly competitive capabilities across a broad range of tasks, including multimodal understanding, image generation (DPG Score: UniWeTok 86.63 vs. FLUX.1 [Dev] 83.84), and editing (GEdit Overall Score: UniWeTok 5.09 vs. OmniGen 5.06). We release code and models to facilitate community exploration of unified tokenizer and MLLM.

ByteDance ByteDance
·
Feb 15 2

InternVL3: Exploring Advanced Training and Test-Time Recipes for Open-Source Multimodal Models

We introduce InternVL3, a significant advancement in the InternVL series featuring a native multimodal pre-training paradigm. Rather than adapting a text-only large language model (LLM) into a multimodal large language model (MLLM) that supports visual inputs, InternVL3 jointly acquires multimodal and linguistic capabilities from both diverse multimodal data and pure-text corpora during a single pre-training stage. This unified training paradigm effectively addresses the complexities and alignment challenges commonly encountered in conventional post-hoc training pipelines for MLLMs. To further improve performance and scalability, InternVL3 incorporates variable visual position encoding (V2PE) to support extended multimodal contexts, employs advanced post-training techniques such as supervised fine-tuning (SFT) and mixed preference optimization (MPO), and adopts test-time scaling strategies alongside an optimized training infrastructure. Extensive empirical evaluations demonstrate that InternVL3 delivers superior performance across a wide range of multi-modal tasks. In particular, InternVL3-78B achieves a score of 72.2 on the MMMU benchmark, setting a new state-of-the-art among open-source MLLMs. Its capabilities remain highly competitive with leading proprietary models, including ChatGPT-4o, Claude 3.5 Sonnet, and Gemini 2.5 Pro, while also maintaining strong pure-language proficiency. In pursuit of open-science principles, we will publicly release both the training data and model weights to foster further research and development in next-generation MLLMs.

  • 47 authors
·
Apr 14, 2025 11

MeNTi: Bridging Medical Calculator and LLM Agent with Nested Tool Calling

Integrating tools into Large Language Models (LLMs) has facilitated the widespread application. Despite this, in specialized downstream task contexts, reliance solely on tools is insufficient to fully address the complexities of the real world. This particularly restricts the effective deployment of LLMs in fields such as medicine. In this paper, we focus on the downstream tasks of medical calculators, which use standardized tests to assess an individual's health status. We introduce MeNTi, a universal agent architecture for LLMs. MeNTi integrates a specialized medical toolkit and employs meta-tool and nested calling mechanisms to enhance LLM tool utilization. Specifically, it achieves flexible tool selection and nested tool calling to address practical issues faced in intricate medical scenarios, including calculator selection, slot filling, and unit conversion. To assess the capabilities of LLMs for quantitative assessment throughout the clinical process of calculator scenarios, we introduce CalcQA. This benchmark requires LLMs to use medical calculators to perform calculations and assess patient health status. CalcQA is constructed by professional physicians and includes 100 case-calculator pairs, complemented by a toolkit of 281 medical tools. The experimental results demonstrate significant performance improvements with our framework. This research paves new directions for applying LLMs in demanding scenarios of medicine.

  • 6 authors
·
Oct 17, 2024

ARMOR v0.1: Empowering Autoregressive Multimodal Understanding Model with Interleaved Multimodal Generation via Asymmetric Synergy

Unified models (UniMs) for multimodal understanding and generation have recently received much attention in the area of vision and language. Existing UniMs are designed to simultaneously learn both multimodal understanding and generation capabilities, demanding substantial computational resources, and often struggle to generate interleaved text-image. We present ARMOR, a resource-efficient and pure autoregressive framework that achieves both understanding and generation by fine-tuning existing multimodal large language models (MLLMs). Specifically, ARMOR extends existing MLLMs from three perspectives: (1) For model architecture, an asymmetric encoder-decoder architecture with a forward-switching mechanism is introduced to unify embedding space integrating textual and visual modalities for enabling natural text-image interleaved generation with minimal computational overhead. (2) For training data, a meticulously curated, high-quality interleaved dataset is collected for fine-tuning MLLMs. (3) For the training algorithm, we propose a ``what or how to generate" algorithm to empower existing MLLMs with multimodal generation capabilities while preserving their multimodal understanding capabilities, through three progressive training stages based on the collected dataset. Experimental results demonstrate that ARMOR upgrades existing MLLMs to UniMs with promising image generation capabilities, using limited training resources. Our code will be released soon at https://armor.github.io.

  • 10 authors
·
Mar 9, 2025 2

MCIF: Multimodal Crosslingual Instruction-Following Benchmark from Scientific Talks

Recent advances in large language models have catalyzed the development of multimodal LLMs (MLLMs) that integrate text, speech, and vision within unified frameworks. As MLLMs evolve from narrow, monolingual, task-specific systems to general-purpose instruction-following models, a key frontier lies in evaluating their multilingual and multimodal capabilities over both long and short contexts. However, existing benchmarks fall short in evaluating these dimensions jointly: they are often limited to English, mostly focus on one single modality at a time, rely on short-form contexts, or lack human annotations -- hindering comprehensive assessment of model performance across languages, modalities, and task complexity. To address these gaps, we introduce MCIF (Multimodal Crosslingual Instruction Following), the first multilingual human-annotated benchmark based on scientific talks that is designed to evaluate instruction-following in crosslingual, multimodal settings over both short- and long-form inputs. MCIF spans three core modalities -- speech, vision, and text -- and four diverse languages (English, German, Italian, and Chinese), enabling a comprehensive evaluation of MLLMs' abilities to interpret instructions across languages and combine them with multimodal contextual information. MCIF is released under a CC-BY 4.0 license to encourage open research and progress in MLLMs development.

  • 8 authors
·
Jul 25, 2025 2

U-MARVEL: Unveiling Key Factors for Universal Multimodal Retrieval via Embedding Learning with MLLMs

Universal multimodal retrieval (UMR), which aims to address complex retrieval tasks where both queries and candidates span diverse modalities, has been significantly advanced by the emergence of MLLMs. While state-of-the-art MLLM-based methods in the literature predominantly adopt contrastive learning principles, they often differ in their specific training recipes. Despite their success, the mechanisms underlying their retrieval capabilities remain largely unexplored, potentially resulting in suboptimal performance and limited generalization ability. To address these issues, we present a comprehensive study aimed at uncovering the key factors that drive effective embedding learning for UMR using MLLMs. We begin by implementing a general MLLM-based embedding learning pipeline, and systematically analyze the primary contributors to high-performing universal retrieval systems. Based on this, we explore various aspects of the details in embedding generation and training strategies, including progressive transition, hard negative mining and re-ranker distillation. Notably, our findings reveal that often-overlooked factors can have a substantial impact on model performance. Building on these discoveries, we introduce a unified framework termed U-MARVEL (Universal MultimodAl RetrieVal via Embedding Learning), which outperforms state-of-the-art competitors on the M-BEIR benchmark by a large margin in supervised settings, and also exihibits strong zero-shot performance on several tasks such as composed image retrieval and text-to-video retrieval. These results underscore the generalization potential of our framework across various embedding-based retrieval tasks. Code is available at https://github.com/chaxjli/U-MARVEL

  • 4 authors
·
Jul 20, 2025

ScaleMCP: Dynamic and Auto-Synchronizing Model Context Protocol Tools for LLM Agents

Recent advancements in Large Language Models (LLMs) and the introduction of the Model Context Protocol (MCP) have significantly expanded LLM agents' capability to interact dynamically with external tools and APIs. However, existing tool selection frameworks do not integrate MCP servers, instead relying heavily on error-prone manual updates to monolithic local tool repositories, leading to duplication, inconsistencies, and inefficiencies. Additionally, current approaches abstract tool selection before the LLM agent is invoked, limiting its autonomy and hindering dynamic re-querying capabilities during multi-turn interactions. To address these issues, we introduce ScaleMCP, a novel tool selection approach that dynamically equips LLM agents with a MCP tool retriever, giving agents the autonomy to add tools into their memory, as well as an auto-synchronizing tool storage system pipeline through CRUD (create, read, update, delete) operations with MCP servers as the single source of truth. We also propose a novel embedding strategy, Tool Document Weighted Average (TDWA), designed to selectively emphasize critical components of tool documents (e.g. tool name or synthetic questions) during the embedding process. Comprehensive evaluations conducted on a created dataset of 5,000 financial metric MCP servers, across 10 LLM models, 5 embedding models, and 5 retriever types, demonstrate substantial improvements in tool retrieval and agent invocation performance, emphasizing ScaleMCP's effectiveness in scalable, dynamic tool selection and invocation.

  • 5 authors
·
May 9, 2025

Unified Personalized Understanding, Generating and Editing

Unified large multimodal models (LMMs) have achieved remarkable progress in general-purpose multimodal understanding and generation. However, they still operate under a ``one-size-fits-all'' paradigm and struggle to model user-specific concepts (e.g., generate a photo of <maeve>) in a consistent and controllable manner. Existing personalization methods typically rely on external retrieval, which is inefficient and poorly integrated into unified multimodal pipelines. Recent personalized unified models introduce learnable soft prompts to encode concept information, yet they either couple understanding and generation or depend on complex multi-stage training, leading to cross-task interference and ultimately to fuzzy or misaligned personalized knowledge. We present OmniPersona, an end-to-end personalization framework for unified LMMs that, for the first time, integrates personalized understanding, generation, and image editing within a single architecture. OmniPersona introduces structurally decoupled concept tokens, allocating dedicated subspaces for different tasks to minimize interference, and incorporates an explicit knowledge replay mechanism that propagates personalized attribute knowledge across tasks, enabling consistent personalized behavior. To systematically evaluate unified personalization, we propose \texttt{OmniPBench}, extending the public UnifyBench concept set with personalized editing tasks and cross-task evaluation protocols integrating understanding, generation, and editing. Experimental results demonstrate that OmniPersona delivers competitive and robust performance across diverse personalization tasks. We hope OmniPersona will serve as a strong baseline and spur further research on controllable, unified personalization.

  • 12 authors
·
Jan 11

MCP Server Architecture Patterns for LLM-Integrated Applications

The Model Context Protocol (MCP), introduced by Anthropic in November 2024, defines a standardized interface for connecting large language models (LLMs) to external tools, data sources, and services. Within months of release, hundreds of community-built MCP servers appeared on GitHub, but no software-maintenance literature has yet described how the ecosystem is being structured in production. This industry experience paper catalogues five recurring MCP server architectural patterns observed across an enumerated corpus of fifteen independently developed servers (five production servers from the ANSYR voice AI platform plus ten public servers from the official MCP registry): Resource Gateway, Tool Orchestrator, Stateful Session Server, Proxy Aggregator, and Domain-Specific Adapter. Each pattern is described in the structured form of Gamma et al.: context, problem, solution, and consequences. We also document four anti-patterns and a set of cross-cutting concerns around authentication, versioning, and observability. The quantitative evaluation contributes three measurements: inter-rater reliability of the taxonomy across two independent LLM raters on 54 held-out servers (Cohen's kappa = 0.76), which also localizes three pattern-boundary ambiguities; transport overhead measured end-to-end on loopback and modeled for cross-host paths; and a tool-count study showing tool-selection accuracy drops below 90% between 10 and 15 tools per context for Claude Haiku 4.5 and between 20 and 30 tools for Sonnet 4. Code, corpus, and prompts are released as a replication package.

  • 2 authors
·
Jun 28

Mono-InternVL: Pushing the Boundaries of Monolithic Multimodal Large Language Models with Endogenous Visual Pre-training

The rapid advancement of Large Language Models (LLMs) has led to an influx of efforts to extend their capabilities to multimodal tasks. Among them, growing attention has been focused on monolithic Multimodal Large Language Models (MLLMs) that integrate visual encoding and language decoding into a single LLM. Despite the structural simplicity and deployment-friendliness, training a monolithic MLLM with promising performance still remains challenging. In particular, the popular approaches adopt continuous pre-training to extend a pre-trained LLM to a monolithic MLLM, which suffers from catastrophic forgetting and leads to performance degeneration. In this paper, we aim to overcome this limitation from the perspective of delta tuning. Specifically, our core idea is to embed visual parameters into a pre-trained LLM, thereby incrementally learning visual knowledge from massive data via delta tuning, i.e., freezing the LLM when optimizing the visual parameters. Based on this principle, we present Mono-InternVL, a novel monolithic MLLM that seamlessly integrates a set of visual experts via a multimodal mixture-of-experts structure. Moreover, we propose an innovative pre-training strategy to maximize the visual capability of Mono-InternVL, namely Endogenous Visual Pre-training (EViP). In particular, EViP is designed as a progressive learning process for visual experts, which aims to fully exploit the visual knowledge from noisy data to high-quality data. To validate our approach, we conduct extensive experiments on 16 benchmarks. Experimental results not only validate the superior performance of Mono-InternVL compared to the state-of-the-art MLLM on 6 multimodal benchmarks, e.g., +113 points over InternVL-1.5 on OCRBench, but also confirm its better deployment efficiency, with first token latency reduced by up to 67%.

  • 7 authors
·
Oct 10, 2024

Unsupervised Post-Training for Multi-Modal LLM Reasoning via GRPO

Improving Multi-modal Large Language Models (MLLMs) in the post-training stage typically relies on supervised fine-tuning (SFT) or reinforcement learning (RL). However, these supervised methods require expensive and manually annotated multi-modal data--an ultimately unsustainable resource. While recent efforts have explored unsupervised post-training, their methods are complex and difficult to iterate. In this work, we are the first to investigate the use of GRPO, a stable and scalable online RL algorithm, for enabling continual self-improvement without any external supervision. We propose MM-UPT, a simple yet effective framework for unsupervised post-training of MLLMs. MM-UPT builds upon GRPO, replacing traditional reward signals with a self-rewarding mechanism based on majority voting over multiple sampled responses. Our experiments demonstrate that MM-UPT significantly improves the reasoning ability of Qwen2.5-VL-7B (e.g., 66.3 %rightarrow72.9 % on MathVista, 62.9 %rightarrow68.7 % on We-Math), using standard dataset without ground truth labels. MM-UPT also outperforms prior unsupervised baselines and even approaches the results of supervised GRPO. Furthermore, we show that incorporating synthetic questions, generated solely by MLLM itself, can boost performance as well, highlighting a promising approach for scalable self-improvement. Overall, MM-UPT offers a new paradigm for continual, autonomous enhancement of MLLMs in the absence of external supervision. Our code is available at https://github.com/waltonfuture/MM-UPT.

  • 7 authors
·
May 28, 2025 2

Fine-tuning MLIP foundation models: strategies for accuracy and transferability

Adapting machine-learned interatomic potential (MLIP) foundation models to specialised tasks through fine-tuning is an increasingly important practice, yet systematic guidance on when and how to fine-tune is currently limited. We evaluate seven fine-tuning strategies -- naive full-parameter updates, two layer-freezing variants, Low-Rank Adaptation (LoRA), multihead replay, pseudolabelled replay, and replay combined with LoRA -- across five chemically diverse benchmarks (aqueous NaCl, ice polymorphs, S_N2 reactions, SPICE biomolecules, and lithium electrolytes), three generations of foundation models, and training sets spanning five orders of magnitude. To support this evaluation we implement three capabilities in the MACE codebase: LoRA adapted for equivariant message-passing architectures, including both scalar and equivariant linear layers; pseudolabelled replay, which decouples the replay data source from the original pretraining corpus; and model-aware atomic reference energy (E0) reestimation for fine-tuning workflows. We find that foundation model quality, correct E0 initialisation, and well-chosen hyperparameters are prerequisites whose impact routinely exceeds that of the fine-tuning strategy itself. Once these prerequisites are met, most strategies achieve strong target-task accuracy, consistently surpassing models trained from scratch. The practical distinction depends on deployment scope: naive fine-tuning offers the best convergence for single-system applications, while multihead replay -- with either original or pseudolabelled data -- is the only approach tested that consistently preserves out-of-distribution robustness, maintaining both pretraining-distribution accuracy for broader deployment and many-body short-range repulsion.

  • 6 authors
·
Jun 9

Ask, Solve, Generate: Self-Evolving Unified Multimodal Understanding and Generation via Self-Consistency Rewards

Most unified large multimodal models (LMMs) that support both visual understanding and image generation still rely on curated post-training supervision, such as human annotations, preference labels, or external reward models. We ask whether a unified LMM can improve both abilities autonomously using only unlabeled images. We propose a self-evolving training framework with three internal roles: a Proposer that generates visual questions, a Solver that answers and evaluates them, and a Generator that synthesizes images. Training uses only self-derived consistency signals, without human annotations, preference labels, or task-trained external reward/judge models. To stabilize learning, we introduce Solver Token Entropy (STE), a continuous difficulty signal based on token-level prediction uncertainty that remains useful even when sample-level consistency becomes unreliable. For image generation, we design a multi-scale internal evaluation scheme that combines question-answer fidelity scoring with cycle-consistent captioning. This creates a solver-mediated coupling, where better visual understanding enables more reliable generation assessment and stronger internal training signals. The framework preserves the same role decomposition, reward logic, and training schedule across diffusion-based BLIP3o, rectified-flow BAGEL, and autoregressive VARGPT-v1.1 architectures, requiring only each backbone's native prompting and generation interface. Across eight understanding metrics, our method consistently improves over the corresponding base models. On BAGEL, it achieves a +3.5% absolute gain on MMMU and improves GenEval image generation performance from 82% to 85%. Code and models are publicly released.

  • 8 authors
·
Jun 24

Label Drop for Multi-Aspect Relation Modeling in Universal Information Extraction

Universal Information Extraction (UIE) has garnered significant attention due to its ability to address model explosion problems effectively. Extractive UIE can achieve strong performance using a relatively small model, making it widely adopted. Extractive UIEs generally rely on task instructions for different tasks, including single-target instructions and multiple-target instructions. Single-target instruction UIE enables the extraction of only one type of relation at a time, limiting its ability to model correlations between relations and thus restricting its capability to extract complex relations. While multiple-target instruction UIE allows for the extraction of multiple relations simultaneously, the inclusion of irrelevant relations introduces decision complexity and impacts extraction accuracy. Therefore, for multi-relation extraction, we propose LDNet, which incorporates multi-aspect relation modeling and a label drop mechanism. By assigning different relations to different levels for understanding and decision-making, we reduce decision confusion. Additionally, the label drop mechanism effectively mitigates the impact of irrelevant relations. Experiments show that LDNet outperforms or achieves competitive performance with state-of-the-art systems on 9 tasks, 33 datasets, in both single-modal and multi-modal, few-shot and zero-shot settings.https://github.com/Lu-Yang666/LDNet

  • 6 authors
·
Feb 18, 2025

Nexus-Gen: A Unified Model for Image Understanding, Generation, and Editing

Unified multimodal large language models (MLLMs) aim to integrate multimodal understanding and generation abilities through a single framework. Despite their versatility, existing open-source unified models exhibit performance gaps against domain-specific architectures. To bridge this gap, we present Nexus-Gen, a unified model that synergizes the language reasoning capabilities of LLMs with the image synthesis power of diffusion models. To align the embedding space of the LLM and diffusion model, we conduct a dual-phase alignment training process. (1) The autoregressive LLM learns to predict image embeddings conditioned on multimodal inputs, while (2) the vision decoder is trained to reconstruct high-fidelity images from these embeddings. During training the LLM, we identified a critical discrepancy between the autoregressive paradigm's training and inference phases, where error accumulation in continuous embedding space severely degrades generation quality. To avoid this issue, we introduce a prefilled autoregression strategy that prefills input sequence with position-embedded special tokens instead of continuous embeddings. Through dual-phase training, Nexus-Gen has developed the integrated capability to comprehensively address the image understanding, generation and editing tasks. All models, datasets, and codes are published at https://github.com/modelscope/Nexus-Gen.git to facilitate further advancements across the field.

  • 9 authors
·
Apr 30, 2025

LLMOPT: Learning to Define and Solve General Optimization Problems from Scratch

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

  • 7 authors
·
Oct 17, 2024

UniLiP: Adapting CLIP for Unified Multimodal Understanding, Generation and Editing

In this paper, we propose UniLIP, which extends CLIP to reconstruction, generation and editing, thereby building a unified tokenizer upon its exceptional comprehension capabilities. Previous CLIP-based unified methods often require additional diffusion decoders or quantization to support reconstruction and generation tasks, leading to inconsistent reconstruction or degradation of original comprehension performance.In contrast, we introduce a two-stage training scheme and a self-distillation strategy that progressively integrates reconstruction capabilities into CLIP, allowing it to maintain original comprehension performance while achieving effective image reconstruction. Furthermore, we propose a dual-condition architecture to connect the MLLM and diffusion transformer, using both learnable queries and the last layer multimodal hidden states as joint conditions. This method not only enables the utilization of the MLLM's strong reasoning capabilities in generation tasks, but also maximizes the exploitation of the rich information in UniLIP features during editing tasks. In text-to-image generation tasks, UniLIP obtains scores of 0.87 and 0.53 on GenEval and WISE benchmark respectively, surpassing all previous unified models of similar scale. In image editing, UniLIP also achieves a score of 3.62 on the ImgEdit Benchmark, surpassing recent state-of-the-art models such as BAGEL and UniWorld-V1. UniLIP effectively expand the application scope of CLIP, enabling continuous CLIP features to not only serve as the optimal choice for understanding tasks but also achieve highly competitive performance in generation and editing tasks.

  • 7 authors
·
Jul 31, 2025 2

Reformulating Vision-Language Foundation Models and Datasets Towards Universal Multimodal Assistants

Recent Multimodal Large Language Models (MLLMs) exhibit impressive abilities to perceive images and follow open-ended instructions. The capabilities of MLLMs depend on two crucial factors: the model architecture to facilitate the feature alignment of visual modules and large language models; the multimodal instruction tuning datasets for human instruction following. (i) For the model architecture, most existing models introduce an external bridge module to connect vision encoders with language models, which needs an additional feature-alignment pre-training. In this work, we discover that compact pre-trained vision language models can inherently serve as ``out-of-the-box'' bridges between vision and language. Based on this, we propose Muffin framework, which directly employs pre-trained vision-language models to act as providers of visual signals. (ii) For the multimodal instruction tuning datasets, existing methods omit the complementary relationship between different datasets and simply mix datasets from different tasks. Instead, we propose UniMM-Chat dataset which explores the complementarities of datasets to generate 1.1M high-quality and diverse multimodal instructions. We merge information describing the same image from diverse datasets and transforms it into more knowledge-intensive conversation data. Experimental results demonstrate the effectiveness of the Muffin framework and UniMM-Chat dataset. Muffin achieves state-of-the-art performance on a wide range of vision-language tasks, significantly surpassing state-of-the-art models like LLaVA and InstructBLIP. Our model and dataset are all accessible at https://github.com/thunlp/muffin.

  • 13 authors
·
Oct 1, 2023

Mono-InternVL-1.5: Towards Cheaper and Faster Monolithic Multimodal Large Language Models

This paper focuses on monolithic Multimodal Large Language Models (MLLMs), which integrate visual encoding and language decoding into a single model. Existing structures and pre-training strategies for monolithic MLLMs often suffer from unstable optimization and catastrophic forgetting. To address these challenges, our key idea is to embed a new visual parameter space into a pre-trained LLM, enabling stable learning of visual knowledge from noisy data via delta tuning. Based on this principle, we first introduce Mono-InternVL, an advanced monolithic MLLM that incorporates a set of visual experts through a multimodal mixture-of-experts architecture. In addition, we design an innovative Endogenous Visual Pre-training (EViP) for Mono-InternVL to maximize its visual capabilities via progressive learning. Mono-InternVL achieves competitive performance against existing MLLMs but also leads to relatively expensive data cost. Therefore, we further present Mono-InternVL-1.5, a cheaper and stronger monolithic MLLM equipped with an improved EViP (EViP++). EViP++ introduces additional visual attention experts to Mono-InternVL-1.5 and re-organizes the pre-training process in an efficient manner. During inference, it includes a fused CUDA kernel to speed up its MoE operations. With these designs, Mono-InternVL-1.5 significantly reduces training and inference costs, while still maintaining competitive performance with Mono-InternVL. To evaluate our approach, we conduct extensive experiments across 15 benchmarks. Results demonstrate that Mono-InternVL outperforms existing monolithic MLLMs on 12 out of 15 benchmarks, e.g., +114-point improvement over Emu3 on OCRBench. Compared to its modular counterpart, i.e., InternVL-1.5, Mono-InternVL-1.5 achieves similar multimodal performance while reducing first-token latency by up to 69%. Code and models are released at https://github.com/OpenGVLab/Mono-InternVL.

  • 12 authors
·
Jul 16, 2025 1

MMFactory: A Universal Solution Search Engine for Vision-Language Tasks

With advances in foundational and vision-language models, and effective fine-tuning techniques, a large number of both general and special-purpose models have been developed for a variety of visual tasks. Despite the flexibility and accessibility of these models, no single model is able to handle all tasks and/or applications that may be envisioned by potential users. Recent approaches, such as visual programming and multimodal LLMs with integrated tools aim to tackle complex visual tasks, by way of program synthesis. However, such approaches overlook user constraints (e.g., performance / computational needs), produce test-time sample-specific solutions that are difficult to deploy, and, sometimes, require low-level instructions that maybe beyond the abilities of a naive user. To address these limitations, we introduce MMFactory, a universal framework that includes model and metrics routing components, acting like a solution search engine across various available models. Based on a task description and few sample input-output pairs and (optionally) resource and/or performance constraints, MMFactory can suggest a diverse pool of programmatic solutions by instantiating and combining visio-lingual tools from its model repository. In addition to synthesizing these solutions, MMFactory also proposes metrics and benchmarks performance / resource characteristics, allowing users to pick a solution that meets their unique design constraints. From the technical perspective, we also introduced a committee-based solution proposer that leverages multi-agent LLM conversation to generate executable, diverse, universal, and robust solutions for the user. Experimental results show that MMFactory outperforms existing methods by delivering state-of-the-art solutions tailored to user problem specifications. Project page is available at https://davidhalladay.github.io/mmfactory_demo.

  • 3 authors
·
Dec 23, 2024 2

MLLM4PUE: Toward Universal Embeddings in Computational Pathology through Multimodal LLMs

Pathology plays a critical role in diagnosing a wide range of diseases, yet existing approaches often rely heavily on task-specific models trained on extensive, well-labeled datasets. These methods face sustainability challenges due to the diversity of pathologies and the labor-intensive nature of data collection. To address these limitations, we highlight the need for universal multimodal embeddings that can support multiple downstream tasks. Previous approaches often involve fine-tuning CLIP-based models, which handle images and text separately, limiting their ability to capture complex multimodal relationships. Additionally, these models are evaluated across diverse datasets without a unified benchmark for assessing multimodal embeddings in pathology. To address these challenges, we propose MLLM4PUE, a novel framework that leverages Multimodal Large Language Models (MLLMs) to generate Pathology Universal Embeddings. The MLLM4PUE framework not only facilitates robust integration of images and text but also enhances understanding and fusion capabilities across various tasks. We further introduce the Pathology Multimodal Embedding Benchmark (PMEB), a comprehensive benchmark designed to assess the quality of pathology multimodal embeddings. PMEB comprises 15 original tasks drawn from 14 datasets, organized into three meta-tasks: retrieval, classification, and composed retrieval. Experimental results demonstrate the superiority of MLLM4PUE, illustrating MLLM-based models can effectively support a wide range of downstream tasks and unify the research direction for foundation models in pathology.

  • 7 authors
·
Feb 10, 2025

MCP Security Bench (MSB): Benchmarking Attacks Against Model Context Protocol in LLM Agents

The Model Context Protocol (MCP) standardizes how large language model (LLM) agents discover, describe, and call external tools. While MCP unlocks broad interoperability, it also enlarges the attack surface by making tools first-class, composable objects with natural-language metadata, and standardized I/O. We present MSB (MCP Security Benchmark), the first end-to-end evaluation suite that systematically measures how well LLM agents resist MCP-specific attacks throughout the full tool-use pipeline: task planning, tool invocation, and response handling. MSB contributes: (1) a taxonomy of 12 attacks including name-collision, preference manipulation, prompt injections embedded in tool descriptions, out-of-scope parameter requests, user-impersonating responses, false-error escalation, tool-transfer, retrieval injection, and mixed attacks; (2) an evaluation harness that executes attacks by running real tools (both benign and malicious) via MCP rather than simulation; and (3) a robustness metric that quantifies the trade-off between security and performance: Net Resilient Performance (NRP). We evaluate nine popular LLM agents across 10 domains and 405 tools, producing 2,000 attack instances. Results reveal the effectiveness of attacks against each stage of MCP. Models with stronger performance are more vulnerable to attacks due to their outstanding tool calling and instruction following capabilities. MSB provides a practical baseline for researchers and practitioners to study, compare, and harden MCP agents. Code: https://github.com/dongsenzhang/MSB

  • 6 authors
·
Oct 14, 2025

MCP-RADAR: A Multi-Dimensional Benchmark for Evaluating Tool Use Capabilities in Large Language Models

As Large Language Models (LLMs) evolve from passive text generators to active reasoning agents capable of tool interaction, the Model Context Protocol (MCP) has emerged as a standardized framework for dynamic tool discovery and orchestration. Despite widespread industry adoption, existing evaluation methodologies fail to adequately assess tool utilization capabilities within this new paradigm. This paper introduces MCP-RADAR, the first comprehensive benchmark specifically designed to evaluate LLM performance in the MCP framework through a novel five-dimensional approach measuring: answer accuracy, tool selection efficiency, computational resource efficiency, parameter construction accuracy, and execution speed. Unlike conventional benchmarks that rely on subjective human evaluations or binary success metrics, MCP-RADAR employs objective, quantifiable measurements across multiple task domains including software engineering, mathematical reasoning, and general problem-solving. Our evaluations of leading commercial and open-source LLMs reveal distinctive capability profiles with significant trade-offs between accuracy, efficiency, and speed, challenging traditional single-metric performance rankings. Besides, we provide valuable guidance for developers to optimize their tools for maximum model compatibility and effectiveness. While focused on MCP due to its standardized approach, our methodology remains applicable across all LLM agent tool integration frameworks, providing valuable insights for both LLM developers and tool creators to optimize the entire LLM-tool interaction ecosystem. The implementation, configurations, and datasets used in our evaluation are publicly available at https://anonymous.4open.science/r/MCPRadar-B143.

  • 5 authors
·
May 22, 2025

OmniSafeBench-MM: A Unified Benchmark and Toolbox for Multimodal Jailbreak Attack-Defense Evaluation

Recent advances in multi-modal large language models (MLLMs) have enabled unified perception-reasoning capabilities, yet these systems remain highly vulnerable to jailbreak attacks that bypass safety alignment and induce harmful behaviors. Existing benchmarks such as JailBreakV-28K, MM-SafetyBench, and HADES provide valuable insights into multi-modal vulnerabilities, but they typically focus on limited attack scenarios, lack standardized defense evaluation, and offer no unified, reproducible toolbox. To address these gaps, we introduce OmniSafeBench-MM, which is a comprehensive toolbox for multi-modal jailbreak attack-defense evaluation. OmniSafeBench-MM integrates 13 representative attack methods, 15 defense strategies, and a diverse dataset spanning 9 major risk domains and 50 fine-grained categories, structured across consultative, imperative, and declarative inquiry types to reflect realistic user intentions. Beyond data coverage, it establishes a three-dimensional evaluation protocol measuring (1) harmfulness, distinguished by a granular, multi-level scale ranging from low-impact individual harm to catastrophic societal threats, (2) intent alignment between responses and queries, and (3) response detail level, enabling nuanced safety-utility analysis. We conduct extensive experiments on 10 open-source and 8 closed-source MLLMs to reveal their vulnerability to multi-modal jailbreak. By unifying data, methodology, and evaluation into an open-source, reproducible platform, OmniSafeBench-MM provides a standardized foundation for future research. The code is released at https://github.com/jiaxiaojunQAQ/OmniSafeBench-MM.

  • 14 authors
·
Dec 6, 2025 2

Unified Medical Image Pre-training in Language-Guided Common Semantic Space

Vision-Language Pre-training (VLP) has shown the merits of analysing medical images, by leveraging the semantic congruence between medical images and their corresponding reports. It efficiently learns visual representations, which in turn facilitates enhanced analysis and interpretation of intricate imaging data. However, such observation is predominantly justified on single-modality data (mostly 2D images like X-rays), adapting VLP to learning unified representations for medical images in real scenario remains an open challenge. This arises from medical images often encompass a variety of modalities, especially modalities with different various number of dimensions (e.g., 3D images like Computed Tomography). To overcome the aforementioned challenges, we propose an Unified Medical Image Pre-training framework, namely UniMedI, which utilizes diagnostic reports as common semantic space to create unified representations for diverse modalities of medical images (especially for 2D and 3D images). Under the text's guidance, we effectively uncover visual modality information, identifying the affected areas in 2D X-rays and slices containing lesion in sophisticated 3D CT scans, ultimately enhancing the consistency across various medical imaging modalities. To demonstrate the effectiveness and versatility of UniMedI, we evaluate its performance on both 2D and 3D images across 10 different datasets, covering a wide range of medical image tasks such as classification, segmentation, and retrieval. UniMedI has demonstrated superior performance in downstream tasks, showcasing its effectiveness in establishing a universal medical visual representation.

  • 9 authors
·
Jul 3, 2024

Breaking the Modality Barrier: Universal Embedding Learning with Multimodal LLMs

The Contrastive Language-Image Pre-training (CLIP) framework has become a widely used approach for multimodal representation learning, particularly in image-text retrieval and clustering. However, its efficacy is constrained by three key limitations: (1) text token truncation, (2) isolated image-text encoding, and (3) deficient compositionality due to bag-of-words behavior. While recent Multimodal Large Language Models (MLLMs) have demonstrated significant advances in generalized vision-language understanding, their potential for learning transferable multimodal representations remains underexplored.In this work, we present UniME (Universal Multimodal Embedding), a novel two-stage framework that leverages MLLMs to learn discriminative representations for diverse downstream tasks. In the first stage, we perform textual discriminative knowledge distillation from a powerful LLM-based teacher model to enhance the embedding capability of the MLLM\'s language component. In the second stage, we introduce hard negative enhanced instruction tuning to further advance discriminative representation learning. Specifically, we initially mitigate false negative contamination and then sample multiple hard negatives per instance within each batch, forcing the model to focus on challenging samples. This approach not only improves discriminative power but also enhances instruction-following ability in downstream tasks. We conduct extensive experiments on the MMEB benchmark and multiple retrieval tasks, including short and long caption retrieval and compositional retrieval. Results demonstrate that UniME achieves consistent performance improvement across all tasks, exhibiting superior discriminative and compositional capabilities.

  • 9 authors
·
Apr 24, 2025 4

Orchestral AI: A Framework for Agent Orchestration

The rapid proliferation of LLM agent frameworks has forced developers to choose between vendor lock-in through provider-specific SDKs and complex multi-package ecosystems that obscure control flow and hinder reproducibility. Integrating tool calling across multiple LLM providers remains a core engineering challenge due to fragmented APIs, incompatible message formats, and inconsistent streaming and tool-calling behavior, making it difficult to build portable, reliable agent systems. We introduce Orchestral, a lightweight Python framework that provides a unified, type-safe interface for building LLM agents across major providers while preserving the simplicity required for scientific computing and production deployment. Orchestral defines a single universal representation for messages, tools, and LLM usage that operates seamlessly across providers, eliminating manual format translation and reducing framework-induced complexity. Automatic tool schema generation from Python type hints removes the need for handwritten descriptors while maintaining type safety across provider boundaries. A synchronous execution model with streaming support enables deterministic behavior, straightforward debugging, and real-time interaction without introducing server dependencies. The framework's modular architecture cleanly separates provider integration, tool execution, conversation orchestration, and user-facing interfaces, enabling extensibility without architectural entanglement. Orchestral supports advanced agent capabilities found in larger frameworks, including rich tool calling, context compaction, workspace sandboxing, user approval workflows, sub-agents, memory management, and MCP integration.

  • 2 authors
·
Jan 4

Universal Reasoner: A Single, Composable Plug-and-Play Reasoner for Frozen LLMs

Large Language Models (LLMs) have demonstrated remarkable general capabilities, but enhancing skills such as reasoning often demands substantial computational resources and may compromise their generalization. While Parameter-Efficient Fine-Tuning (PEFT) methods offer a more resource-conscious alternative, they typically requires retraining for each LLM backbone due to architectural dependencies. To address these challenges, here we propose Universal Reasoner (UniR) - a single, lightweight, composable, and plug-and-play reasoning module that can be used with any frozen LLM to endow it with specialized reasoning capabilities. Specifically, UniR decomposes the reward into a standalone reasoning module that is trained independently using predefined rewards, effectively translating trajectory-level signals into token-level guidance. Once trained, UniR can be combined with any frozen LLM at inference time by simply adding its output logits to those of the LLM backbone. This additive structure naturally enables modular composition: multiple UniR modules trained for different tasks can be jointly applied by summing their logits, enabling complex reasoning via composition. Experimental results on mathematical reasoning and machine translation tasks show that UniR significantly outperforms existing baseline fine-tuning methods using the Llama3.2 model. Furthermore, UniR demonstrates strong weak-to-strong generalization: reasoning modules trained on smaller models effectively guide much larger LLMs. This makes UniR a cost-efficient, adaptable, and robust solution for enhancing reasoning in LLMs without compromising their core capabilities. Code is open-sourced at https://github.com/hangeol/UniR

  • 5 authors
·
May 25, 2025 2

A Unified Framework for the Evaluation of LLM Agentic Capabilities

As LLMs are increasingly deployed as agents, reliable assessment of their agentic capabilities has become essential. However, reported benchmark scores often jointly reflect model capability and the implementation choices each benchmark is packaged with, making cross-benchmark results difficult to interpret as clean measurements of the underlying model. In this work, we present a unified framework for the fair evaluation of LLM agentic capabilities. Driven by a unified configuration system, the framework integrates diverse benchmarks into a standardized instruction-tool-environment format, executes agents through a fixed ReAct-style architecture within a controllable sandbox, and provides an optional offline setting that replaces volatile live environments with curated snapshots, so that framework effects and environment effects can be analyzed separately. Building on this, we unify the evaluation methodology under each benchmark's original task-success criteria, while introducing unified metrics for resource consumption and a taxonomy for decision- and execution-level failure attribution. Within this framework, we adapt 7 widely used benchmarks spanning 24 domains across single-agent, multi-agent, and safety-critical scenarios, and conduct a large-scale empirical analysis over 400K rollouts and 5B tokens on 15 models. The results show that scaffold choice and environmental volatility materially shift benchmark outcomes in both directions, allowing our framework to disentangle intrinsic LLM capabilities from framework- and environment-induced artifacts. We further demonstrate its extensibility as a secure testbed for safety-critical domains. Codes and benchmarks at are available at https://github.com/whfeLingYu/A-Unified-Framework-for-the-Evaluation-of-LLM-Agentic-Capabilities, https://huggingface.co/datasets/whfeLingYu/Unified_Agent_Framework.

  • 11 authors
·
Jul 1

LiveMCPBench: Can Agents Navigate an Ocean of MCP Tools?

With the rapid development of Model Context Protocol (MCP), the number of MCP servers has surpassed 10,000. However, existing MCP benchmarks are limited to single-server settings with only a few tools, hindering effective evaluation of agent capabilities in large-scale, real-world scenarios. To address this limitation, we present LiveMCPBench, the first comprehensive benchmark comprising 95 real-world tasks grounded in the MCP ecosystem, designed to evaluate LLM agents at scale across diverse servers. To support a scalable and reproducible evaluation pipeline in large-scale MCP environments, we curate LiveMCPTool, a diverse and readily deployable collection of 70 MCP servers and 527 tools. Furthermore, we introduce LiveMCPEval, an LLM-as-a-Judge framework that enables automated and adaptive evaluation in dynamic, time-varying task environments, achieving 81% agreement with human reviewers. Finally, we propose the MCP Copilot Agent, a multi-step agent that routes tools for dynamic planning and executes tools for API interaction across the entire LiveMCPTool suite. Our evaluation covers 10 leading models, with the best-performing model (Claude-Sonnet-4) reaching a 78.95% success rate. However, we observe large performance variance across models, and several widely-used models perform poorly in LiveMCPBench's complex, tool-rich environments. Overall, LiveMCPBench offers the first unified framework for benchmarking LLM agents in realistic, tool-rich, and dynamic MCP environments, laying a solid foundation for scalable and reproducible research on agent capabilities. Our code and data will be publicly available at https://icip-cas.github.io/LiveMCPBench.

  • 9 authors
·
Aug 3, 2025 5

GREATERPROMPT: A Unified, Customizable, and High-Performing Open-Source Toolkit for Prompt Optimization

LLMs have gained immense popularity among researchers and the general public for its impressive capabilities on a variety of tasks. Notably, the efficacy of LLMs remains significantly dependent on the quality and structure of the input prompts, making prompt design a critical factor for their performance. Recent advancements in automated prompt optimization have introduced diverse techniques that automatically enhance prompts to better align model outputs with user expectations. However, these methods often suffer from the lack of standardization and compatibility across different techniques, limited flexibility in customization, inconsistent performance across model scales, and they often exclusively rely on expensive proprietary LLM APIs. To fill in this gap, we introduce GREATERPROMPT, a novel framework that democratizes prompt optimization by unifying diverse methods under a unified, customizable API while delivering highly effective prompts for different tasks. Our framework flexibly accommodates various model scales by leveraging both text feedback-based optimization for larger LLMs and internal gradient-based optimization for smaller models to achieve powerful and precise prompt improvements. Moreover, we provide a user-friendly Web UI that ensures accessibility for non-expert users, enabling broader adoption and enhanced performance across various user groups and application scenarios. GREATERPROMPT is available at https://github.com/psunlpgroup/GreaterPrompt via GitHub, PyPI, and web user interfaces.

  • 4 authors
·
Apr 4, 2025

A Survey of AI Agent Protocols

The rapid development of large language models (LLMs) has led to the widespread deployment of LLM agents across diverse industries, including customer service, content generation, data analysis, and even healthcare. However, as more LLM agents are deployed, a major issue has emerged: there is no standard way for these agents to communicate with external tools or data sources. This lack of standardized protocols makes it difficult for agents to work together or scale effectively, and it limits their ability to tackle complex, real-world tasks. A unified communication protocol for LLM agents could change this. It would allow agents and tools to interact more smoothly, encourage collaboration, and triggering the formation of collective intelligence. In this paper, we provide the first comprehensive analysis of existing agent protocols, proposing a systematic two-dimensional classification that differentiates context-oriented versus inter-agent protocols and general-purpose versus domain-specific protocols. Additionally, we conduct a comparative performance analysis of these protocols across key dimensions such as security, scalability, and latency. Finally, we explore the future landscape of agent protocols by identifying critical research directions and characteristics necessary for next-generation protocols. These characteristics include adaptability, privacy preservation, and group-based interaction, as well as trends toward layered architectures and collective intelligence infrastructures. We expect this work to serve as a practical reference for both researchers and engineers seeking to design, evaluate, or integrate robust communication infrastructures for intelligent agents.

  • 14 authors
·
Apr 23, 2025

Cross Learning between Electronic Structure Theories for Unifying Molecular, Surface, and Inorganic Crystal Foundation Force Fields

Creating a single unified interatomic potential capable of attaining ab initio accuracy across all chemistry remains a long-standing challenge in computational chemistry and materials science. This work introduces a training protocol for foundation machine-learning interatomic potentials (MLIPs) that bridge molecular, surface, and materials chemistry through cross-domain learning. First, we introduce enhancements to the MACE architecture that improve its performance on chemically diverse databases by increasing weight sharing across chemical elements and introducing non-linear factors into the tensor decomposition of the product basis. Second, we develop a multi-head replay post-training methodology that enables efficient knowledge transfer across diverse chemical domains. By fine-tuning on datasets at different levels of electronic structure theory, including inorganic crystals, molecular systems, surface chemistry, and reactive organic chemistry, we demonstrate that a single unified model achieves state-of-the-art performance across several chemical domains. Comprehensive benchmarking reveals superior cross-domain transferability compared with existing specialised and multi-task models, with notable improvements in molecular and surface properties while maintaining state-of-the-art performance in materials-property prediction.

  • 8 authors
·
Oct 29, 2025

Uni-MoE: Scaling Unified Multimodal LLMs with Mixture of Experts

Recent advancements in Multimodal Large Language Models (MLLMs) underscore the significance of scalable models and data to boost performance, yet this often incurs substantial computational costs. Although the Mixture of Experts (MoE) architecture has been employed to efficiently scale large language and image-text models, these efforts typically involve fewer experts and limited modalities. To address this, our work presents the pioneering attempt to develop a unified MLLM with the MoE architecture, named Uni-MoE that can handle a wide array of modalities. Specifically, it features modality-specific encoders with connectors for a unified multimodal representation. We also implement a sparse MoE architecture within the LLMs to enable efficient training and inference through modality-level data parallelism and expert-level model parallelism. To enhance the multi-expert collaboration and generalization, we present a progressive training strategy: 1) Cross-modality alignment using various connectors with different cross-modality data, 2) Training modality-specific experts with cross-modality instruction data to activate experts' preferences, and 3) Tuning the Uni-MoE framework utilizing Low-Rank Adaptation (LoRA) on mixed multimodal instruction data. We evaluate the instruction-tuned Uni-MoE on a comprehensive set of multimodal datasets. The extensive experimental results demonstrate Uni-MoE's principal advantage of significantly reducing performance bias in handling mixed multimodal datasets, alongside improved multi-expert collaboration and generalization. Our findings highlight the substantial potential of MoE frameworks in advancing MLLMs and the code is available at https://github.com/HITsz-TMG/UMOE-Scaling-Unified-Multimodal-LLMs.

  • 8 authors
·
May 18, 2024

UniME-V2: MLLM-as-a-Judge for Universal Multimodal Embedding Learning

Universal multimodal embedding models are foundational to various tasks. Existing approaches typically employ in-batch negative mining by measuring the similarity of query-candidate pairs. However, these methods often struggle to capture subtle semantic differences among candidates and lack diversity in negative samples. Moreover, the embeddings exhibit limited discriminative ability in distinguishing false and hard negatives. In this paper, we leverage the advanced understanding capabilities of MLLMs to enhance representation learning and present a novel Universal Multimodal Embedding (UniME-V2) model. Our approach first constructs a potential hard negative set through global retrieval. We then introduce the MLLM-as-a-Judge mechanism, which utilizes MLLMs to assess the semantic alignment of query-candidate pairs and generate soft semantic matching scores. These scores serve as a foundation for hard negative mining, mitigating the impact of false negatives and enabling the identification of diverse, high-quality hard negatives. Furthermore, the semantic matching scores are used as soft labels to mitigate the rigid one-to-one mapping constraint. By aligning the similarity matrix with the soft semantic matching score matrix, the model learns semantic distinctions among candidates, significantly enhancing its discriminative capacity. To further improve performance, we propose UniME-V2-Reranker, a reranking model trained on our mined hard negatives through a joint pairwise and listwise optimization approach. We conduct comprehensive experiments on the MMEB benchmark and multiple retrieval tasks, demonstrating that our method achieves state-of-the-art performance on average across all tasks.

  • 9 authors
·
Oct 15, 2025 2

MLLM-Tool: A Multimodal Large Language Model For Tool Agent Learning

Recently, the astonishing performance of large language models (LLMs) in natural language comprehension and generation tasks triggered lots of exploration of using them as central controllers to build agent systems. Multiple studies focus on bridging the LLMs to external tools to extend the application scenarios. However, the current LLMs' perceiving tool-use ability is limited to a single text query, which may result in ambiguity in understanding the users' real intentions. LLMs are expected to eliminate that by perceiving the visual- or auditory-grounded instructions' information. Therefore, in this paper, we propose MLLM-Tool, a system incorporating open-source LLMs and multi-modal encoders so that the learnt LLMs can be conscious of multi-modal input instruction and then select the function-matched tool correctly. To facilitate the evaluation of the model's capability, we collect a dataset featured by consisting of multi-modal input tools from HuggingFace. Another important feature of our dataset is that our dataset also contains multiple potential choices for the same instruction due to the existence of identical functions and synonymous functions, which provides more potential solutions for the same query. The experiments reveal that our MLLM-Tool is capable of recommending appropriate tools for multi-modal instructions. Codes and data are available at https://github.com/MLLM-Tool/MLLM-Tool.

  • 11 authors
·
Jan 19, 2024

Train a Unified Multimodal Data Quality Classifier with Synthetic Data

The Multimodal Large Language Models (MLLMs) are continually pre-trained on a mixture of image-text caption data and interleaved document data, while the high-quality data filtering towards image-text interleaved document data is under-explored. We propose to train an efficient MLLM as a Unified Mulitmodal Data Quality Classifier to Filter both high-quality image-text caption and interleaved data (UniFilter). To address the challenge of collecting diverse labeled multimodal data, we introduce a semi-synthetic approach that leverages readily available raw images and generates corresponding text across four quality levels. This method enables efficient creation of sample-score pairs for both caption and interleaved document data to train UniFilter. We apply UniFilter to curate high-quality caption data from DataComp caption dataset and interleaved data from the OBELICS image-text interleaved dataset. MLLMs pre-trained on the filtered data demonstrate significantly enhanced capabilities compared to those trained on baseline-filtered data, achieving stronger zero-shot reasoning and in-context learning capabilities. After visual supervised fine-tuning, these UniFilter-induced MLLMs achieve stronger performance on various benchmarks, highlighting the downstream benefits of high-quality multimodal pre-training. We release the synthetic training data used for training UniFilter, the UniFilter model checkpoints, and the high-quality interleaved document subset OBELICS-HQ, curated by UniFilter, to the community for reproduction and further development.

  • 10 authors
·
Oct 16, 2025 2

Code2MCP: A Multi-Agent Framework for Automated Transformation of Code Repositories into Model Context Protocol Services

The proliferation of Large Language Models (LLMs) has created a significant integration challenge in the AI agent ecosystem, often called the "N times M problem," where N models require custom integrations for M tools. This fragmentation stifles innovation and creates substantial development overhead. While the Model Context Protocol (MCP) has emerged as a standard to resolve this, its adoption is hindered by the manual effort required to convert the vast universe of existing software into MCP-compliant services. This is especially true for the millions of open-source repositories on GitHub, the world's largest collection of functional code. This paper introduces Code2MCP, a highly automated, agentic framework designed to transform any GitHub repository into a functional MCP service with minimal human intervention. Our system employs a multi-stage workflow that automates the entire process, from code analysis and environment configuration to service generation and deployment. A key innovation of our framework is an LLM-driven, closed-loop "Run--Review--Fix" cycle, which enables the system to autonomously debug and repair the code it generates. Code2MCP produces not only deployable services but also comprehensive technical documentation, acting as a catalyst to accelerate the MCP ecosystem by systematically unlocking the world's largest open-source code repository and automating the critical last mile of tool integration. The code is open-sourced at https://github.com/DEFENSE-SEU/MCP-Github-Agent.

  • 6 authors
·
Sep 7, 2025 1

LLM-Adapters: An Adapter Family for Parameter-Efficient Fine-Tuning of Large Language Models

The success of large language models (LLMs), like GPT-3 and ChatGPT, has led to the development of numerous cost-effective and accessible alternatives that are created by fine-tuning open-access LLMs with task-specific data (e.g., ChatDoctor) or instruction data (e.g., Alpaca). Among the various fine-tuning methods, adapter-based parameter-efficient fine-tuning (PEFT) is undoubtedly one of the most attractive topics, as it only requires fine-tuning a few external parameters instead of the entire LLMs while achieving comparable or even better performance. To enable further research on PEFT methods of LLMs, this paper presents LLM-Adapters, an easy-to-use framework that integrates various adapters into LLMs and can execute these adapter-based PEFT methods of LLMs for different tasks. The framework includes state-of-the-art open-access LLMs such as LLaMA, BLOOM, OPT, and GPT-J, as well as widely used adapters such as Series adapter, Parallel adapter, and LoRA. The framework is designed to be research-friendly, efficient, modular, and extendable, allowing the integration of new adapters and the evaluation of them with new and larger-scale LLMs. Furthermore, to evaluate the effectiveness of adapters in LLMs-Adapters, we conduct experiments on six math reasoning datasets. The results demonstrate that using adapter-based PEFT in smaller-scale LLMs (7B) with few extra trainable parameters yields comparable, and in some cases superior, performance to that of powerful LLMs (175B) in zero-shot inference on simple math reasoning datasets. Overall, we provide a promising framework for fine-tuning large LLMs on downstream tasks. We believe the proposed LLMs-Adapters will advance adapter-based PEFT research, facilitate the deployment of research pipelines, and enable practical applications to real-world systems.

  • 9 authors
·
Apr 4, 2023

Beyond the Protocol: Unveiling Attack Vectors in the Model Context Protocol Ecosystem

The Model Context Protocol (MCP) is an emerging standard designed to enable seamless interaction between Large Language Model (LLM) applications and external tools or resources. Within a short period, thousands of MCP services have already been developed and deployed. However, the client-server integration architecture inherent in MCP may expand the attack surface against LLM Agent systems, introducing new vulnerabilities that allow attackers to exploit by designing malicious MCP servers. In this paper, we present the first systematic study of attack vectors targeting the MCP ecosystem. Our analysis identifies four categories of attacks, i.e., Tool Poisoning Attacks, Puppet Attacks, Rug Pull Attacks, and Exploitation via Malicious External Resources. To evaluate the feasibility of these attacks, we conduct experiments following the typical steps of launching an attack through malicious MCP servers: upload-download-attack. Specifically, we first construct malicious MCP servers and successfully upload them to three widely used MCP aggregation platforms. The results indicate that current audit mechanisms are insufficient to identify and prevent the proposed attack methods. Next, through a user study and interview with 20 participants, we demonstrate that users struggle to identify malicious MCP servers and often unknowingly install them from aggregator platforms. Finally, we demonstrate that these attacks can trigger harmful behaviors within the user's local environment-such as accessing private files or controlling devices to transfer digital assets-by deploying a proof-of-concept (PoC) framework against five leading LLMs. Additionally, based on interview results, we discuss four key challenges faced by the current security ecosystem surrounding MCP servers. These findings underscore the urgent need for robust security mechanisms to defend against malicious MCP servers.

  • 9 authors
·
May 31, 2025 1

Evidence-Grounded Ensemble Diagnosis of 802.11 Packet Captures: A Multi-Stage Pipeline with Deterministic Reliability Scoring

Diagnosing 802.11 packet captures requires expert protocol knowledge, is slow, inconsistent across engineers, and unscalable. LLM-based approaches sound plausible but fabricate protocol events absent from captures (especially truncated traces), produce uncalibrated confidence scores, and suffer evaluation bias when golden references are co-produced by the model under test. We introduce PROBE (Protocol Reasoning Over evidence-Based Ensembles), a multi-stage pipeline addressing all three failures. It integrates (i) deterministic PCAP-to-text normalization with frame-level verifiability, (ii) multi-run, multi-candidate ensembles with optional cross-model second opinion and progressive obfuscation, (iii) a verdict-aware evidence framework treating absence of failure evidence as contributing evidence, and (iv) a fully deterministic composite reliability score from evidence validity, run-to-run stability, and cross-model agreement without LLM self-assessment. On 87 enterprise Wi-Fi captures (104 capture-reviewer pairs), single-pass LLM analysis raises weighted evidence F1 from 0.871 (expert baseline) to 0.912 but misses critical frames in 35% of cases. Naive ensemble voting drops below baseline (0.842) as majority voting amplifies conservative verdicts: 50% of confirmed failures are misclassified as 'no issue' or 'insufficient evidence.' Adding evidence-grounded reconciliation achieves 0.957 F1, a 96% auto-accept rate, and a worst-case floor above 0.70. LLM self-reported confidence clusters at 0.95 regardless of difficulty (71% report exactly 0.95), confirming it is uninformative. We also introduce a model-agnostic evaluation framework using per-field assertion matching, eliminating circular bias from model-co-produced golden references.

  • 3 authors
·
Jun 4

VITA: Towards Open-Source Interactive Omni Multimodal LLM

The remarkable multimodal capabilities and interactive experience of GPT-4o underscore their necessity in practical applications, yet open-source models rarely excel in both areas. In this paper, we introduce VITA, the first-ever open-source Multimodal Large Language Model (MLLM) adept at simultaneous processing and analysis of Video, Image, Text, and Audio modalities, and meanwhile has an advanced multimodal interactive experience. Starting from Mixtral 8x7B as a language foundation, we expand its Chinese vocabulary followed by bilingual instruction tuning. We further endow the language model with visual and audio capabilities through two-stage multi-task learning of multimodal alignment and instruction tuning. VITA demonstrates robust foundational capabilities of multilingual, vision, and audio understanding, as evidenced by its strong performance across a range of both unimodal and multimodal benchmarks. Beyond foundational capabilities, we have made considerable progress in enhancing the natural multimodal human-computer interaction experience. To the best of our knowledge, we are the first to exploit non-awakening interaction and audio interrupt in MLLM. VITA is the first step for the open-source community to explore the seamless integration of multimodal understanding and interaction. While there is still lots of work to be done on VITA to get close to close-source counterparts, we hope that its role as a pioneer can serve as a cornerstone for subsequent research. Project Page: https://vita-home.github.io.

  • 15 authors
·
Aug 9, 2024 3

Production-Grade Local LLM Inference on Apple Silicon: A Comparative Study of MLX, MLC-LLM, Ollama, llama.cpp, and PyTorch MPS

We present a systematic, empirical evaluation of five local large language model (LLM) runtimes on Apple Silicon: MLX, MLC-LLM, llama.cpp, Ollama, and PyTorch MPS. Experiments were conducted on a Mac Studio equipped with an M2 Ultra processor and 192 GB of unified memory. Using the Qwen-2.5 model family across prompts ranging from a few hundred to 100,000 tokens, we measure time-to-first-token (TTFT), steady-state throughput, latency percentiles, long-context behavior (key-value and prompt caching), quantization support, streaming performance, batching and concurrency behavior, and deployment complexity. Under our settings, MLX achieves the highest sustained generation throughput, while MLC-LLM delivers consistently lower TTFT for moderate prompt sizes and offers stronger out-of-the-box inference features. llama.cpp is highly efficient for lightweight single-stream use, Ollama emphasizes developer ergonomics but lags in throughput and TTFT, and PyTorch MPS remains limited by memory constraints on large models and long contexts. All frameworks execute fully on-device with no telemetry, ensuring strong privacy guarantees. We release scripts, logs, and plots to reproduce all results. Our analysis clarifies the design trade-offs in Apple-centric LLM deployments and provides evidence-based recommendations for interactive and long-context processing. Although Apple Silicon inference frameworks still trail NVIDIA GPU-based systems such as vLLM in absolute performance, they are rapidly maturing into viable, production-grade solutions for private, on-device LLM inference.

  • 8 authors
·
Oct 8, 2025

Rem3Di: Learning smooth, chiral 3D molecular descriptors from atomistic foundation models

Foundation machine-learned interatomic potentials (MLIPs) are trained on large quantum-mechanical datasets and generalise across broad regions of chemical and configurational space. Beyond their usual role in accelerating sampling-based simulations, their internal representations encode chemically rich local atomic environments. Here, we introduce Rem3Di, a representation-learning framework that repurposes latent features from atomistic foundation models as transferable molecular descriptors for property prediction and virtual screening. Rem3Di combines a potential's per-atom features into a single fixed-length descriptor of the whole molecule that varies smoothly with three-dimensional structure and is invariant to the ordering of the atoms. The descriptor can be used directly or fine-tuned for specific prediction tasks. To capture molecular handedness, Rem3Di constructs pseudoscalar features, which are unchanged by rotation but reverse sign under mirror reflection. This lets the descriptor distinguish enantiomers, which can differ in activity and toxicity. The transformer is pretrained on large molecular datasets by reconstructing corrupted atom features, so no experimental labels are required. Across public drug-property benchmarks, Rem3Di matches or exceeds published baselines without relying on classical 2D fingerprints. Additionally, the same descriptor yields chemically meaningful differentiation of transition-metal complexes without predefined bonding rules or handcrafted representations. Rem3Di therefore provides a route from simulation-trained atomistic representations to transferable, chirality-aware molecular representations for chemical machine learning.

  • 5 authors
·
Jul 21