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Dec 26

Critical Nodes Identification in Complex Networks: A Survey

Complex networks have become essential tools for understanding diverse phenomena in social systems, traffic systems, biomolecular systems, and financial systems. Identifying critical nodes is a central theme in contemporary research, serving as a vital bridge between theoretical foundations and practical applications. Nevertheless, the intrinsic complexity and structural heterogeneity characterizing real-world networks, with particular emphasis on dynamic and higher-order networks, present substantial obstacles to the development of universal frameworks for critical node identification. This paper provides a comprehensive review of critical node identification techniques, categorizing them into seven main classes: centrality, critical nodes deletion problem, influence maximization, network control, artificial intelligence, higher-order and dynamic methods. Our review bridges the gaps in existing surveys by systematically classifying methods based on their methodological foundations and practical implications, and by highlighting their strengths, limitations, and applicability across different network types. Our work enhances the understanding of critical node research by identifying key challenges, such as algorithmic universality, real-time evaluation in dynamic networks, analysis of higher-order structures, and computational efficiency in large-scale networks. The structured synthesis consolidates current progress and highlights open questions, particularly in modeling temporal dynamics, advancing efficient algorithms, integrating machine learning approaches, and developing scalable and interpretable metrics for complex systems.

  • 8 authors
·
Jul 8

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

Universal Biological Sequence Reranking for Improved De Novo Peptide Sequencing

De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise signals, leading to data-specific biases. We present RankNovo, the first deep reranking framework that enhances de novo peptide sequencing by leveraging the complementary strengths of multiple sequencing models. RankNovo employs a list-wise reranking approach, modeling candidate peptides as multiple sequence alignments and utilizing axial attention to extract informative features across candidates. Additionally, we introduce two new metrics, PMD (Peptide Mass Deviation) and RMD (residual Mass Deviation), which offer delicate supervision by quantifying mass differences between peptides at both the sequence and residue levels. Extensive experiments demonstrate that RankNovo not only surpasses its base models used to generate training candidates for reranking pre-training, but also sets a new state-of-the-art benchmark. Moreover, RankNovo exhibits strong zero-shot generalization to unseen models whose generations were not exposed during training, highlighting its robustness and potential as a universal reranking framework for peptide sequencing. Our work presents a novel reranking strategy that fundamentally challenges existing single-model paradigms and advances the frontier of accurate de novo sequencing. Our source code is provided on GitHub.

  • 9 authors
·
May 23 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

FedHyper: A Universal and Robust Learning Rate Scheduler for Federated Learning with Hypergradient Descent

The theoretical landscape of federated learning (FL) undergoes rapid evolution, but its practical application encounters a series of intricate challenges, and hyperparameter optimization is one of these critical challenges. Amongst the diverse adjustments in hyperparameters, the adaptation of the learning rate emerges as a crucial component, holding the promise of significantly enhancing the efficacy of FL systems. In response to this critical need, this paper presents FedHyper, a novel hypergradient-based learning rate adaptation algorithm specifically designed for FL. FedHyper serves as a universal learning rate scheduler that can adapt both global and local rates as the training progresses. In addition, FedHyper not only showcases unparalleled robustness to a spectrum of initial learning rate configurations but also significantly alleviates the necessity for laborious empirical learning rate adjustments. We provide a comprehensive theoretical analysis of FedHyper's convergence rate and conduct extensive experiments on vision and language benchmark datasets. The results demonstrate that FEDHYPER consistently converges 1.1-3x faster than FedAvg and the competing baselines while achieving superior final accuracy. Moreover, FedHyper catalyzes a remarkable surge in accuracy, augmenting it by up to 15% compared to FedAvg under suboptimal initial learning rate settings.

  • 3 authors
·
Oct 4, 2023

INSIGHT: Universal Neural Simulator for Analog Circuits Harnessing Autoregressive Transformers

Analog front-end design heavily relies on specialized human expertise and costly trial-and-error simulations, which motivated many prior works on analog design automation. However, efficient and effective exploration of the vast and complex design space remains constrained by the time-consuming nature of SPICE simulations, making effective design automation a challenging endeavor. In this paper, we introduce INSIGHT, a GPU-powered, technology-agnostic, effective universal neural simulator in the analog front-end design automation loop. INSIGHT accurately predicts the performance metrics of analog circuits across various technologies with just a few microseconds of inference time. Notably, its autoregressive capabilities enable INSIGHT to accurately predict simulation-costly critical transient specifications leveraging less expensive performance metric information. The low cost and high fidelity feature make INSIGHT a good substitute for standard simulators in analog front-end optimization frameworks. INSIGHT is compatible with any optimization framework, facilitating enhanced design space exploration for sample efficiency through sophisticated offline learning and adaptation techniques. Our experiments demonstrate that INSIGHT-M, a model-based batch reinforcement learning sizing framework with INSIGHT as the accurate surrogate, only requires < 20 real-time simulations with 100-1000x lower simulation costs and significant speedup over existing sizing methods.

  • 6 authors
·
Jul 9, 2024

VisualCloze: A Universal Image Generation Framework via Visual In-Context Learning

Recent progress in diffusion models significantly advances various image generation tasks. However, the current mainstream approach remains focused on building task-specific models, which have limited efficiency when supporting a wide range of different needs. While universal models attempt to address this limitation, they face critical challenges, including generalizable task instruction, appropriate task distributions, and unified architectural design. To tackle these challenges, we propose VisualCloze, a universal image generation framework, which supports a wide range of in-domain tasks, generalization to unseen ones, unseen unification of multiple tasks, and reverse generation. Unlike existing methods that rely on language-based task instruction, leading to task ambiguity and weak generalization, we integrate visual in-context learning, allowing models to identify tasks from visual demonstrations. Meanwhile, the inherent sparsity of visual task distributions hampers the learning of transferable knowledge across tasks. To this end, we introduce Graph200K, a graph-structured dataset that establishes various interrelated tasks, enhancing task density and transferable knowledge. Furthermore, we uncover that our unified image generation formulation shared a consistent objective with image infilling, enabling us to leverage the strong generative priors of pre-trained infilling models without modifying the architectures.

  • 8 authors
·
Apr 10 3

OmniBench: Towards The Future of Universal Omni-Language Models

Recent advancements in multimodal large language models (MLLMs) have aimed to integrate and interpret data across diverse modalities. However, the capacity of these models to concurrently process and reason about multiple modalities remains inadequately explored, partly due to the lack of comprehensive modality-wise benchmarks. We introduce OmniBench, a novel benchmark designed to rigorously evaluate models' ability to recognize, interpret, and reason across visual, acoustic, and textual inputs simultaneously. We define models capable of such tri-modal processing as omni-language models (OLMs). OmniBench is distinguished by high-quality human annotations, ensuring that accurate responses require integrated understanding and reasoning across all three modalities. Our main findings reveal that: i) open-source OLMs exhibit critical limitations in instruction-following and reasoning capabilities within tri-modal contexts; and ii) the baseline models perform poorly (below 50% accuracy) even when provided with alternative textual representations of images and audio. These results suggest that the ability to construct a consistent context from text, image, and audio is often overlooked in existing MLLM training paradigms. We advocate for future research to focus on developing more robust tri-modal integration techniques and training strategies to enhance OLM performance across diverse modalities. The codes and live leaderboard could be found at https://m-a-p.ai/OmniBench.

  • 20 authors
·
Sep 23, 2024 2

AdaptCLIP: Adapting CLIP for Universal Visual Anomaly Detection

Universal visual anomaly detection aims to identify anomalies from novel or unseen vision domains without additional fine-tuning, which is critical in open scenarios. Recent studies have demonstrated that pre-trained vision-language models like CLIP exhibit strong generalization with just zero or a few normal images. However, existing methods struggle with designing prompt templates, complex token interactions, or requiring additional fine-tuning, resulting in limited flexibility. In this work, we present a simple yet effective method called AdaptCLIP based on two key insights. First, adaptive visual and textual representations should be learned alternately rather than jointly. Second, comparative learning between query and normal image prompt should incorporate both contextual and aligned residual features, rather than relying solely on residual features. AdaptCLIP treats CLIP models as a foundational service, adding only three simple adapters, visual adapter, textual adapter, and prompt-query adapter, at its input or output ends. AdaptCLIP supports zero-/few-shot generalization across domains and possesses a training-free manner on target domains once trained on a base dataset. AdaptCLIP achieves state-of-the-art performance on 12 anomaly detection benchmarks from industrial and medical domains, significantly outperforming existing competitive methods. We will make the code and model of AdaptCLIP available at https://github.com/gaobb/AdaptCLIP.

  • 10 authors
·
May 14 4

Generative Universal Verifier as Multimodal Meta-Reasoner

We introduce Generative Universal Verifier, a novel concept and plugin designed for next-generation multimodal reasoning in vision-language models and unified multimodal models, providing the fundamental capability of reflection and refinement on visual outcomes during the reasoning and generation process. This work makes three main contributions: (1) We build ViVerBench, a comprehensive benchmark spanning 16 categories of critical tasks for evaluating visual outcomes in multimodal reasoning. Results show that existing VLMs consistently underperform across these tasks, underscoring a substantial gap from human-level capability in reliable visual verification. (2) We design two automated pipelines to construct large-scale visual verification data and train OmniVerifier-7B, the first omni-capable generative verifier trained for universal visual verification and achieves notable gains on ViVerBench(+8.3). Through training, we identify three atomic capabilities in visual verification and demonstrate how they generalize and interact synergistically. (3) We propose OmniVerifier-TTS, a sequential test-time scaling paradigm that leverages the universal verifier to bridge image generation and editing within unified models, enhancing the upper bound of generative ability through iterative fine-grained optimization. Beyond generation, we extend universal verifier to broader world-modeling interleaved reasoning scenarios. Empirically, OmniVerifier-TTS achieves improvements on T2I-ReasonBench(+3.7), and GenEval++(+4.3), outperforming existing parallel test-time scaling methods, such as Best-of-N. By endowing multimodal reasoning with reliable visual verification, OmniVerifier advances both reliable reflection during generation and scalable test-time refinement, marking a step toward more trustworthy and controllable next-generation reasoning systems.

Towards Universal Video Retrieval: Generalizing Video Embedding via Synthesized Multimodal Pyramid Curriculum

The prevailing video retrieval paradigm is structurally misaligned, as narrow benchmarks incentivize correspondingly limited data and single-task training. Therefore, universal capability is suppressed due to the absence of a diagnostic evaluation that defines and demands multi-dimensional generalization. To break this cycle, we introduce a framework built on the co-design of evaluation, data, and modeling. First, we establish the Universal Video Retrieval Benchmark (UVRB), a suite of 16 datasets designed not only to measure performance but also to diagnose critical capability gaps across tasks and domains. Second, guided by UVRB's diagnostics, we introduce a scalable synthesis workflow that generates 1.55 million high-quality pairs to populate the semantic space required for universality. Finally, we devise the Modality Pyramid, a curriculum that trains our General Video Embedder (GVE) by explicitly leveraging the latent interconnections within our diverse data. Extensive experiments show GVE achieves state-of-the-art zero-shot generalization on UVRB. In particular, our analysis reveals that popular benchmarks are poor predictors of general ability and that partially relevant retrieval is a dominant but overlooked scenario. Overall, our co-designed framework provides a practical path to escape the limited scope and advance toward truly universal video retrieval.

Alibaba-NLP Alibaba-NLP
·
Oct 31 1

CURA: Size Isnt All You Need -- A Compact Universal Architecture for On-Device Intelligence

Existing on-device AI architectures for resource-constrained environments face two critical limitations: they lack compactness, with parameter requirements scaling proportionally to task complexity, and they exhibit poor generalizability, performing effectively only on specific application domains (e.g., models designed for regression tasks cannot adapt to natural language processing (NLP) applications). In this paper, we propose CURA, an architecture inspired by analog audio signal processing circuits that provides a compact and lightweight solution for diverse machine learning tasks across multiple domains. Our architecture offers three key advantages over existing approaches: (1) Compactness: it requires significantly fewer parameters regardless of task complexity; (2) Generalizability: it adapts seamlessly across regression, classification, complex NLP, and computer vision tasks; and (3) Complex pattern recognition: it can capture intricate data patterns while maintaining extremely low model complexity. We evaluated CURA across diverse datasets and domains. For compactness, it achieved equivalent accuracy using up to 2,500 times fewer parameters compared to baseline models. For generalizability, it demonstrated consistent performance across four NLP benchmarks and one computer vision dataset, nearly matching specialized existing models (achieving F1-scores up to 90%). Lastly, it delivers superior forecasting accuracy for complex patterns, achieving 1.6 times lower mean absolute error and 2.1 times lower mean squared error than competing models.

  • 3 authors
·
Sep 29

MedCLIP-SAMv2: Towards Universal Text-Driven Medical Image Segmentation

Segmentation of anatomical structures and pathological regions in medical images is essential for modern clinical diagnosis, disease research, and treatment planning. While significant advancements have been made in deep learning-based segmentation techniques, many of these methods still suffer from limitations in data efficiency, generalizability, and interactivity. As a result, developing precise segmentation methods that require fewer labeled datasets remains a critical challenge in medical image analysis. Recently, the introduction of foundation models like CLIP and Segment-Anything-Model (SAM), with robust cross-domain representations, has paved the way for interactive and universal image segmentation. However, further exploration of these models for data-efficient segmentation in medical imaging is still needed and highly relevant. In this paper, we introduce MedCLIP-SAMv2, a novel framework that integrates the CLIP and SAM models to perform segmentation on clinical scans using text prompts, in both zero-shot and weakly supervised settings. Our approach includes fine-tuning the BiomedCLIP model with a new Decoupled Hard Negative Noise Contrastive Estimation (DHN-NCE) loss, and leveraging the Multi-modal Information Bottleneck (M2IB) to create visual prompts for generating segmentation masks from SAM in the zero-shot setting. We also investigate using zero-shot segmentation labels within a weakly supervised paradigm to enhance segmentation quality further. Extensive testing across four diverse segmentation tasks and medical imaging modalities (breast tumor ultrasound, brain tumor MRI, lung X-ray, and lung CT) demonstrates the high accuracy of our proposed framework. Our code is available at https://github.com/HealthX-Lab/MedCLIP-SAMv2.

  • 4 authors
·
Sep 28, 2024

UniRepLKNet: A Universal Perception Large-Kernel ConvNet for Audio, Video, Point Cloud, Time-Series and Image Recognition

Large-kernel convolutional neural networks (ConvNets) have recently received extensive research attention, but there are two unresolved and critical issues that demand further investigation. 1) The architectures of existing large-kernel ConvNets largely follow the design principles of conventional ConvNets or transformers, while the architectural design for large-kernel ConvNets remains under-addressed. 2) As transformers have dominated multiple modalities, it remains to be investigated whether ConvNets also have a strong universal perception ability in domains beyond vision. In this paper, we contribute from two aspects. 1) We propose four architectural guidelines for designing large-kernel ConvNets, the core of which is to exploit the essential characteristics of large kernels that distinguish them from small kernels - they can see wide without going deep. Following such guidelines, our proposed large-kernel ConvNet shows leading performance in image recognition. For example, our models achieve an ImageNet accuracy of 88.0%, ADE20K mIoU of 55.6%, and COCO box AP of 56.4%, demonstrating better performance and higher speed than a number of recently proposed powerful competitors. 2) We discover that large kernels are the key to unlocking the exceptional performance of ConvNets in domains where they were originally not proficient. With certain modality-related preprocessing approaches, the proposed model achieves state-of-the-art performance on time-series forecasting and audio recognition tasks even without modality-specific customization to the architecture. Code and all the models at https://github.com/AILab-CVC/UniRepLKNet.

  • 7 authors
·
Nov 27, 2023

MrGuard: A Multilingual Reasoning Guardrail for Universal LLM Safety

Large Language Models (LLMs) are susceptible to adversarial attacks such as jailbreaking, which can elicit harmful or unsafe behaviors. This vulnerability is exacerbated in multilingual settings, where multilingual safety-aligned data is often limited. Thus, developing a guardrail capable of detecting and filtering unsafe content across diverse languages is critical for deploying LLMs in real-world applications. In this work, we introduce a multilingual guardrail with reasoning for prompt classification. Our method consists of: (1) synthetic multilingual data generation incorporating culturally and linguistically nuanced variants, (2) supervised fine-tuning, and (3) a curriculum-based Group Relative Policy Optimization (GRPO) framework that further improves performance. Experimental results demonstrate that our multilingual guardrail, MrGuard, consistently outperforms recent baselines across both in-domain and out-of-domain languages by more than 15%. We also evaluate MrGuard's robustness to multilingual variations, such as code-switching and low-resource language distractors in the prompt, and demonstrate that it preserves safety judgments under these challenging conditions. The multilingual reasoning capability of our guardrail enables it to generate explanations, which are particularly useful for understanding language-specific risks and ambiguities in multilingual content moderation.

  • 5 authors
·
Apr 21

Dynamic-SUPERB Phase-2: A Collaboratively Expanding Benchmark for Measuring the Capabilities of Spoken Language Models with 180 Tasks

Multimodal foundation models, such as Gemini and ChatGPT, have revolutionized human-machine interactions by seamlessly integrating various forms of data. Developing a universal spoken language model that comprehends a wide range of natural language instructions is critical for bridging communication gaps and facilitating more intuitive interactions. However, the absence of a comprehensive evaluation benchmark poses a significant challenge. We present Dynamic-SUPERB Phase-2, an open and evolving benchmark for the comprehensive evaluation of instruction-based universal speech models. Building upon the first generation, this second version incorporates 125 new tasks contributed collaboratively by the global research community, expanding the benchmark to a total of 180 tasks, making it the largest benchmark for speech and audio evaluation. While the first generation of Dynamic-SUPERB was limited to classification tasks, Dynamic-SUPERB Phase-2 broadens its evaluation capabilities by introducing a wide array of novel and diverse tasks, including regression and sequence generation, across speech, music, and environmental audio. Evaluation results indicate that none of the models performed well universally. SALMONN-13B excelled in English ASR, while WavLLM demonstrated high accuracy in emotion recognition, but current models still require further innovations to handle a broader range of tasks. We will soon open-source all task data and the evaluation pipeline.

  • 78 authors
·
Nov 8, 2024

MgNO: Efficient Parameterization of Linear Operators via Multigrid

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

  • 3 authors
·
Oct 16, 2023