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Spiking Neural Networks (SNNs) have recently gained significant interest in on-chip learning in embedded devices and emerged as an energy-efficient alternative to conventional Artificial Neural Networks (ANNs). However, to extend SNNs to a Federated Learning (FL) setting involving collaborative model training, the communication between the local devices and the remote server remains the bottleneck, which is often restricted and costly. In this paper, we first explore the inherent robustness of SNNs under noisy communication in FL. Building upon this foundation, we propose a novel Federated Learning with Top-K Sparsification (FLTS) algorithm to reduce the bandwidth usage for FL training. We discover that the proposed scheme with SNNs allows more bandwidth savings compared to ANNs without impacting the model's accuracy. Additionally, the number of parameters to be communicated can be reduced to as low as 6 percent of the size of the original model. We further improve the communication efficiency by enabling dynamic parameter compression during model training. Extensive experiment results demonstrate that our proposed algorithms significantly outperform the baselines in terms of communication cost and model accuracy and are promising for practical network-efficient FL with SNNs., Comment: This paper has been accepted for publication at the 43rd IEEE International Performance Computing and Communications Conference (IPCCC 2024)

Few-shot class-incremental learning is crucial for developing scalable and adaptive intelligent systems, as it enables models to acquire new classes with minimal annotated data while safeguarding the previously accumulated knowledge. Nonetheless, existing methods deal with continuous data streams in a centralized manner, limiting their applicability in scenarios that prioritize data privacy and security. To this end, this paper introduces federated few-shot class-incremental learning, a decentralized machine learning paradigm tailored to progressively learn new classes from scarce data distributed across multiple clients. In this learning paradigm, clients locally update their models with new classes while preserving data privacy, and then transmit the model updates to a central server where they are aggregated globally. However, this paradigm faces several issues, such as difficulties in few-shot learning, catastrophic forgetting, and data heterogeneity. To address these challenges, we present a synthetic data-driven framework that leverages replay buffer data to maintain existing knowledge and facilitate the acquisition of new knowledge. Within this framework, a noise-aware generative replay module is developed to fine-tune local models with a balance of new and replay data, while generating synthetic data of new classes to further expand the replay buffer for future tasks. Furthermore, a class-specific weighted aggregation strategy is designed to tackle data heterogeneity by adaptively aggregating class-specific parameters based on local models performance on synthetic data. This enables effective global model optimization without direct access to client data. Comprehensive experiments across three widely-used datasets underscore the effectiveness and preeminence of the introduced framework.

Aqueous solubility (AS) is a key physiochemical property that plays a crucial role in drug discovery and material design. We report a novel unified approach to predict and infer chemical compounds with the desired AS based on simple deterministic graph-theoretic descriptors, multiple linear regression (MLR) and mixed integer linear programming (MILP). Selected descriptors based on a forward stepwise procedure enabled the simplest regression model, MLR, to achieve significantly good prediction accuracy compared to the existing approaches, achieving the accuracy in the range [0.7191, 0.9377] for 29 diverse datasets. By simulating these descriptors and learning models as MILPs, we inferred mathematically exact and optimal compounds with the desired AS, prescribed structures, and up to 50 non-hydrogen atoms in a reasonable time range [6, 1204] seconds. These findings indicate a strong correlation between the simple graph-theoretic descriptors and the AS of compounds, potentially leading to a deeper understanding of their AS without relying on widely used complicated chemical descriptors and complex machine learning models that are computationally expensive, and therefore difficult to use for inference. An implementation of the proposed approach is available at https://github.com/ku-dml/mol-infer/tree/master/AqSol.

Multiobjective optimization problems (MOPs) are prevalent in machine learning, with applications in multi-task learning, learning under fairness or robustness constraints, etc. Instead of reducing multiple objective functions into a scalar objective, MOPs aim to optimize for the so-called Pareto optimality or Pareto set learning, which involves optimizing more than one objective function simultaneously, over models with millions of parameters. Existing benchmark libraries for MOPs mainly focus on evolutionary algorithms, most of which are zeroth-order methods that do not effectively utilize higher-order information from objectives and cannot scale to large-scale models with millions of parameters. In light of the above gap, this paper introduces LibMOON, the first multiobjective optimization library that supports state-of-the-art gradient-based methods, provides a fair benchmark, and is open-sourced for the community.

The three-dimensional vascular model reconstructed from CT images is widely used in medical diagnosis. At different phases, the beating of the heart can cause deformation of vessels, resulting in different vascular imaging states and false positive diagnostic results. The 4D model can simulate a complete cardiac cycle. Due to the dose limitation of contrast agent injection in patients, it is valuable to synthesize a 4D coronary artery trees through finite phases imaging. In this paper, we propose a method for generating a 4D coronary artery trees, which maps the systole to the diastole through deformation field prediction, interpolates on the timeline, and the motion trajectory of points are obtained. Specifically, the centerline is used to represent vessels and to infer deformation fields using cube-based sorting and neural networks. Adjacent vessel points are aggregated and interpolated based on the deformation field of the centerline point to obtain displacement vectors of different phases. Finally, the proposed method is validated through experiments to achieve the registration of non-rigid vascular points and the generation of 4D coronary trees.

Traditional OCR systems (OCR-1.0) are increasingly unable to meet people's usage due to the growing demand for intelligent processing of man-made optical characters. In this paper, we collectively refer to all artificial optical signals (e.g., plain texts, math/molecular formulas, tables, charts, sheet music, and even geometric shapes) as "characters" and propose the General OCR Theory along with an excellent model, namely GOT, to promote the arrival of OCR-2.0. The GOT, with 580M parameters, is a unified, elegant, and end-to-end model, consisting of a high-compression encoder and a long-contexts decoder. As an OCR-2.0 model, GOT can handle all the above "characters" under various OCR tasks. On the input side, the model supports commonly used scene- and document-style images in slice and whole-page styles. On the output side, GOT can generate plain or formatted results (markdown/tikz/smiles/kern) via an easy prompt. Besides, the model enjoys interactive OCR features, i.e., region-level recognition guided by coordinates or colors. Furthermore, we also adapt dynamic resolution and multi-page OCR technologies to GOT for better practicality. In experiments, we provide sufficient results to prove the superiority of our model.

Geometric trees are characterized by their tree-structured layout and spatially constrained nodes and edges, which significantly impacts their topological attributes. This inherent hierarchical structure plays a crucial role in domains such as neuron morphology and river geomorphology, but traditional graph representation methods often overlook these specific characteristics of tree structures. To address this, we introduce a new representation learning framework tailored for geometric trees. It first features a unique message passing neural network, which is both provably geometrical structure-recoverable and rotation-translation invariant. To address the data label scarcity issue, our approach also includes two innovative training targets that reflect the hierarchical ordering and geometric structure of these geometric trees. This enables fully self-supervised learning without explicit labels. We validate our method's effectiveness on eight real-world datasets, demonstrating its capability to represent geometric trees.

In this paper, we propose a novel family of descriptors of chemical graphs, named cycle-configuration (CC), that can be used in the standard "two-layered (2L) model" of mol-infer, a molecular inference framework based on mixed integer linear programming (MILP) and machine learning (ML). Proposed descriptors capture the notion of ortho/meta/para patterns that appear in aromatic rings, which has been impossible in the framework so far. Computational experiments show that, when the new descriptors are supplied, we can construct prediction functions of similar or better performance for all of the 27 tested chemical properties. We also provide an MILP formulation that asks for a chemical graph with desired properties under the 2L model with CC descriptors (2L+CC model). We show that a chemical graph with up to 50 non-hydrogen vertices can be inferred in a practical time.

Quantifying and evaluating image complexity can be instrumental in enhancing the performance of various computer vision tasks. Supervised learning can effectively learn image complexity features from well-annotated datasets. However, creating such datasets requires expensive manual annotation costs. The models may learn human subjective biases from it. In this work, we introduce the MoCo v2 framework. We utilize contrastive learning to represent image complexity, named CLIC (Contrastive Learning for Image Complexity). We find that there are complexity differences between different local regions of an image, and propose Random Crop and Mix (RCM), which can produce positive samples consisting of multi-scale local crops. RCM can also expand the train set and increase data diversity without introducing additional data. We conduct extensive experiments with CLIC, comparing it with both unsupervised and supervised methods. The results demonstrate that the performance of CLIC is comparable to that of state-of-the-art supervised methods. In addition, we establish the pipelines that can apply CLIC to computer vision tasks to effectively improve their performance.

Image inpainting aims to fill missing pixels in damaged images and has achieved significant progress with cut-edging learning techniques. Nevertheless, state-of-the-art inpainting methods are mainly designed for nature images and cannot correctly recover text within scene text images, and training existing models on the scene text images cannot fix the issues. In this work, we identify the visual-text inpainting task to achieve high-quality scene text image restoration and text completion: Given a scene text image with unknown missing regions and the corresponding text with unknown missing characters, we aim to complete the missing information in both images and text by leveraging their complementary information. Intuitively, the input text, even if damaged, contains language priors of the contents within the images and can guide the image inpainting. Meanwhile, the scene text image includes the appearance cues of the characters that could benefit text recovery. To this end, we design the cross-modal predictive interaction (CLII) model containing two branches, i.e., ImgBranch and TxtBranch, for scene text inpainting and text completion, respectively while leveraging their complementary effectively. Moreover, we propose to embed our model into the SOTA scene text spotting method and significantly enhance its robustness against missing pixels, which demonstrates the practicality of the newly developed task. To validate the effectiveness of our method, we construct three real datasets based on existing text-related datasets, containing 1838 images and covering three scenarios with curved, incidental, and styled texts, and conduct extensive experiments to show that our method outperforms baselines significantly.

In this paper, we investigate the underlying factors that potentially enhance the mathematical reasoning capabilities of large language models (LLMs). We argue that the data scaling law for math reasoning capabilities in modern LLMs is far from being saturated, highlighting how the model's quality improves with increases in data quantity. To support this claim, we introduce the Skywork-Math model series, supervised fine-tuned (SFT) on common 7B LLMs using our proposed 2.5M-instance Skywork-MathQA dataset. Skywork-Math 7B has achieved impressive accuracies of 51.2% on the competition-level MATH benchmark and 83.9% on the GSM8K benchmark using only SFT data, outperforming an early version of GPT-4 on MATH. The superior performance of Skywork-Math models contributes to our novel two-stage data synthesis and model SFT pipelines, which include three different augmentation methods and a diverse seed problem set, ensuring both the quantity and quality of Skywork-MathQA dataset across varying difficulty levels. Most importantly, we provide several practical takeaways to enhance math reasoning abilities in LLMs for both research and industry applications.

We study the structure and dynamics of the interface separating a passive fluid from a microtubule-based active fluid. Turbulent-like active flows power giant interfacial fluctuations, which exhibit pronounced asymmetry between regions of positive and negative curvature. Experiments, numerical simulations, and theoretical arguments reveal how the interface breaks up the spatial symmetry of the fundamental bend instability to generate local vortical flows that lead to asymmetric interface fluctuations. The magnitude of interface deformations increases with activity: In the high activity limit, the interface self-folds invaginating passive droplets and generating a foam-like phase, where active fluid is perforated with passive droplets. These results demonstrate how active stresses control the structure, dynamics, and break-up of soft, deformable, and reconfigurable liquid-liquid interfaces., Comment: 26 pages, 22 figures

Multi-source spatial point data prediction is crucial in fields like environmental monitoring and natural resource management, where integrating data from various sensors is the key to achieving a holistic environmental understanding. Existing models in this area often fall short due to their domain-specific nature and lack a strategy for integrating information from various sources in the absence of ground truth labels. Key challenges include evaluating the quality of different data sources and modeling spatial relationships among them effectively. Addressing these issues, we introduce an innovative multi-source spatial point data prediction framework that adeptly aligns information from varied sources without relying on ground truth labels. A unique aspect of our method is the 'fidelity score,' a quantitative measure for evaluating the reliability of each data source. Furthermore, we develop a geo-location-aware graph neural network tailored to accurately depict spatial relationships between data points. Our framework has been rigorously tested on two real-world datasets and one synthetic dataset. The results consistently demonstrate its superior performance over existing state-of-the-art methods.

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in this field, much of the focus has been on single polygons, overlooking the intricate inner- and inter-polygonal relationships inherent in multipolygons. To address this gap, our study introduces a comprehensive framework specifically designed for learning representations of polygonal geometries, particularly multipolygons. Central to our approach is the incorporation of a heterogeneous visibility graph, which seamlessly integrates both inner- and inter-polygonal relationships. To enhance computational efficiency and minimize graph redundancy, we implement a heterogeneous spanning tree sampling method. Additionally, we devise a rotation-translation invariant geometric representation, ensuring broader applicability across diverse scenarios. Finally, we introduce Multipolygon-GNN, a novel model tailored to leverage the spatial and semantic heterogeneity inherent in the visibility graph. Experiments on five real-world and synthetic datasets demonstrate its ability to capture informative representations for polygonal geometries.

Though advanced in understanding visual information with human languages, Large Vision-Language Models (LVLMs) still suffer from multimodal hallucinations. A natural concern is that during multimodal interaction, the generated hallucinations could influence the LVLMs' subsequent generation. Thus, we raise a question: When presented with a query relevant to the previously generated hallucination, will LVLMs be misled and respond incorrectly, even though the ground visual information exists? To answer this, we propose a framework called MMHalSnowball to evaluate LVLMs' behaviors when encountering generated hallucinations, where LVLMs are required to answer specific visual questions within a curated hallucinatory conversation. Crucially, our experiment shows that the performance of open-source LVLMs drops by at least $31\%$, indicating that LVLMs are prone to accept the generated hallucinations and make false claims that they would not have supported without distractions. We term this phenomenon Multimodal Hallucination Snowballing. To mitigate this, we further propose a training-free method called Residual Visual Decoding, where we revise the output distribution of LVLMs with the one derived from the residual visual input, providing models with direct access to the visual information. Experiments show that our method can mitigate more than $24\%$ of the snowballed multimodal hallucination while maintaining capabilities., Comment: Accepted to ACL 2024 Main Conference. 21 pages, 20 figures

The recently observed temperature-dependent quasiphase transition of the single-file water chain confined within a carbon nanotube in experiments has been validated by the simple lattice theory and molecular dynamics simulations. It has been pointed out that the atomic charges in water models are important, yet how the values will affect the structural details and thermodynamic properties of the quasiphase transition has not been fully revealed. In this work, we perform orientational-biased replica exchange Monte Carlo simulations in the canonical ensemble to explore the effect of atomic charges in the SPC/E water model on the quasiphase transition of a single-file water chain. Based on the atomic charge values reported in literature, three distinct quasiphases are reproduced, comprising a fully hydrogen-bonded water chain at lower temperatures, a more ordered dipolar orientation along the tube axis at intermediate temperatures, and a completely disordered structure at higher temperatures. Then by increasing the atomic charge values, we find that the fragmentation of the entire water chain into shorter water segments, the orientational ordering of water dipoles along the tube axis, and the transition towards complete disorder are all inhibited. Consequently, the transition temperatures between three quasiphases have been shifted to higher temperatures. The thermodynamic analysis demonstrates that the increased atomic charge values enhance the hydrogen bonding between neighbouring water molecules also the electrostatic attraction within the water chain, leading to a longer water dipole correlation length even at higher temperatures. These findings highlight the vital role of atomic charges in water models also the electrostatic interaction in regulating the orientational ordering of water molecules under nanoconfinement., Comment: 14 pages and 7 figures in Main text, 5 figures in Appendix

Deep generative models like VAEs and diffusion models have advanced various generation tasks by leveraging latent variables to learn data distributions and generate high-quality samples. Despite the field of explainable AI making strides in interpreting machine learning models, understanding latent variables in generative models remains challenging. This paper introduces LatentExplainer, a framework for automatically generating semantically meaningful explanations of latent variables in deep generative models. LatentExplainer tackles three main challenges: inferring the meaning of latent variables, aligning explanations with inductive biases, and handling varying degrees of explainability. By perturbing latent variables and interpreting changes in generated data, the framework provides a systematic approach to understanding and controlling the data generation process, enhancing the transparency and interpretability of deep generative models. We evaluate our proposed method on several real-world and synthetic datasets, and the results demonstrate superior performance in generating high-quality explanations of latent variables.

Many studies have been done to detect smokes from satellite imagery. However, these prior methods are not still effective in detecting various smokes in complex backgrounds. Smokes present challenges in detection due to variations in density, color, lighting, and backgrounds such as clouds, haze, and/or mist, as well as the contextual nature of thin smoke. This paper addresses these challenges by proposing a new segmentation model called VTrUNet which consists of a virtual band construction module to capture spectral patterns and a transformer boosted UNet to capture long range contextual features. The model takes imagery of six bands: red, green, blue, near infrared, and two shortwave infrared bands as input. To show the advantages of the proposed model, the paper presents extensive results for various possible model architectures improving UNet and draws interesting conclusions including that adding more modules to a model does not always lead to a better performance. The paper also compares the proposed model with very recently proposed and related models for smoke segmentation and shows that the proposed model performs the best and makes significant improvements on prediction performances

Existing deep learning approaches for travel mode choice modeling fail to inform modelers about their prediction uncertainty. Even when facing scenarios that are out of the distribution of training data, which implies high prediction uncertainty, these approaches still provide deterministic answers, potentially leading to misguidance. To address this limitation, this study introduces the concept of uncertainty from the field of explainable artificial intelligence into travel mode choice modeling. We propose a Bayesian neural network-based travel mode prediction model (BTMP) that quantifies the uncertainty of travel mode predictions, enabling the model itself to "know" and "tell" what it doesn't know. With BTMP, we further propose an uncertainty-guided active survey framework, which dynamically formulates survey questions representing travel mode choice scenarios with high prediction uncertainty. Through iterative collection of responses to these dynamically tailored survey questions, BTMP is iteratively trained to achieve the desired accuracy faster with fewer questions, thereby reducing survey costs. Experimental validation using synthetic datasets confirms the effectiveness of BTMP in quantifying prediction uncertainty. Furthermore, experiments, utilizing both synthetic and real-world data, demonstrate that the BTMP model, trained with the uncertainty-guided active survey framework, requires 20% to 50% fewer survey responses to match the performance of the model trained on randomly collected survey data. Overall, the proposed BTMP model and active survey framework innovatively incorporate uncertainty quantification into travel mode choice modeling, providing model users with essential insights into prediction reliability while optimizing data collection for deep learning model training in a cost-efficient manner.

Text-Attributed Graphs (TAGs) augment graph structures with natural language descriptions, facilitating detailed depictions of data and their interconnections across various real-world settings. However, existing TAG datasets predominantly feature textual information only at the nodes, with edges typically represented by mere binary or categorical attributes. This lack of rich textual edge annotations significantly limits the exploration of contextual relationships between entities, hindering deeper insights into graph-structured data. To address this gap, we introduce Textual-Edge Graphs Datasets and Benchmark (TEG-DB), a comprehensive and diverse collection of benchmark textual-edge datasets featuring rich textual descriptions on nodes and edges. The TEG-DB datasets are large-scale and encompass a wide range of domains, from citation networks to social networks. In addition, we conduct extensive benchmark experiments on TEG-DB to assess the extent to which current techniques, including pre-trained language models, graph neural networks, and their combinations, can utilize textual node and edge information. Our goal is to elicit advancements in textual-edge graph research, specifically in developing methodologies that exploit rich textual node and edge descriptions to enhance graph analysis and provide deeper insights into complex real-world networks. The entire TEG-DB project is publicly accessible as an open-source repository on Github, accessible at https://github.com/Zhuofeng-Li/TEG-Benchmark.

In this paper, we investigate the Sobolev spaces W^{1,p}(V) and W_0^{1,p}(V) on a locally finite graph G=(V,E), which are fundamental tools when we apply the variational methods to partial differential equations on graphs. As a key contribution of this note, we show that in general, W^{1,p}(V) is not equivalent to W_0^{1,p}(V) on locally finite graphs, which is different from the situation on Euclidean space R^N., Comment: 7 pages, 1 figure

In this technical report, we introduce the training methodologies implemented in the development of Skywork-MoE, a high-performance mixture-of-experts (MoE) large language model (LLM) with 146 billion parameters and 16 experts. It is initialized from the pre-existing dense checkpoints of our Skywork-13B model. We explore the comparative effectiveness of upcycling versus training from scratch initializations. Our findings suggest that the choice between these two approaches should consider both the performance of the existing dense checkpoints and the MoE training budget. We highlight two innovative techniques: gating logit normalization, which improves expert diversification, and adaptive auxiliary loss coefficients, allowing for layer-specific adjustment of auxiliary loss coefficients. Our experimental results validate the effectiveness of these methods. Leveraging these techniques and insights, we trained our upcycled Skywork-MoE on a condensed subset of our SkyPile corpus. The evaluation results demonstrate that our model delivers strong performance across a wide range of benchmarks.

We introduce LongSkywork, a long-context Large Language Model (LLM) capable of processing up to 200,000 tokens. We provide a training recipe for efficiently extending context length of LLMs. We identify that the critical element in enhancing long-context processing capability is to incorporate a long-context SFT stage following the standard SFT stage. A mere 200 iterations can convert the standard SFT model into a long-context model. To reduce the effort in collecting and annotating data for long-context language modeling, we develop two novel methods for creating synthetic data. These methods are applied during the continual pretraining phase as well as the Supervised Fine-Tuning (SFT) phase, greatly enhancing the training efficiency of our long-context LLMs. Our findings suggest that synthetic long-context SFT data can surpass the performance of data curated by humans to some extent. LongSkywork achieves outstanding performance on a variety of long-context benchmarks. In the Needle test, a benchmark for long-context information retrieval, our models achieved perfect accuracy across multiple context spans. Moreover, in realistic application scenarios, LongSkywork-13B demonstrates performance on par with Claude2.1, the leading long-context model, underscoring the effectiveness of our proposed methods.

Text-Attributed Graphs (TAGs) enhance graph structures with natural language descriptions, enabling detailed representation of data and their relationships across a broad spectrum of real-world scenarios. Despite the potential for deeper insights, existing TAG representation learning primarily relies on supervised methods, necessitating extensive labeled data and limiting applicability across diverse contexts. This paper introduces a new self-supervised learning framework, Text-And-Graph Multi-View Alignment (TAGA), which overcomes these constraints by integrating TAGs' structural and semantic dimensions. TAGA constructs two complementary views: Text-of-Graph view, which organizes node texts into structured documents based on graph topology, and the Graph-of-Text view, which converts textual nodes and connections into graph data. By aligning representations from both views, TAGA captures joint textual and structural information. In addition, a novel structure-preserving random walk algorithm is proposed for efficient training on large-sized TAGs. Our framework demonstrates strong performance in zero-shot and few-shot scenarios across eight real-world datasets.

Textual-edge Graphs (TEGs), characterized by rich text annotations on edges, are increasingly significant in network science due to their ability to capture rich contextual information among entities. Existing works have proposed various edge-aware graph neural networks (GNNs) or let language models directly make predictions. However, they often fall short of fully capturing the contextualized semantics on edges and graph topology, respectively. This inadequacy is particularly evident in link prediction tasks that require a comprehensive understanding of graph topology and semantics between nodes. In this paper, we present a novel framework - Link2Doc, designed especially for link prediction on textual-edge graphs. Specifically, we propose to summarize neighborhood information between node pairs as a human-written document to preserve both semantic and topology information. A self-supervised learning model is then utilized to enhance GNN's text-understanding ability from language models. Empirical evaluations, including link prediction, edge classification, parameter analysis, runtime comparison, and ablation studies, on four real-world datasets demonstrate that Link2Doc achieves generally better performance against existing edge-aware GNNs and pre-trained language models in predicting links on TEGs.

While Retrieval-Augmented Generation (RAG) enhances the accuracy and relevance of responses by generative language models, it falls short in graph-based contexts where both textual and topological information are important. Naive RAG approaches inherently neglect the structural intricacies of textual graphs, resulting in a critical gap in the generation process. To address this challenge, we introduce $\textbf{Graph Retrieval-Augmented Generation (GRAG)}$, which significantly enhances both the retrieval and generation processes by emphasizing the importance of subgraph structures. Unlike RAG approaches that focus solely on text-based entity retrieval, GRAG maintains an acute awareness of graph topology, which is crucial for generating contextually and factually coherent responses. Our GRAG approach consists of four main stages: indexing of $k$-hop ego-graphs, graph retrieval, soft pruning to mitigate the impact of irrelevant entities, and generation with pruned textual subgraphs. GRAG's core workflow-retrieving textual subgraphs followed by soft pruning-efficiently identifies relevant subgraph structures while avoiding the computational infeasibility typical of exhaustive subgraph searches, which are NP-hard. Moreover, we propose a novel prompting strategy that achieves lossless conversion from textual subgraphs to hierarchical text descriptions. Extensive experiments on graph multi-hop reasoning benchmarks demonstrate that in scenarios requiring multi-hop reasoning on textual graphs, our GRAG approach significantly outperforms current state-of-the-art RAG methods while effectively mitigating hallucinations., Comment: 14 pages, 4 figures

Network interdiction problems are combinatorial optimization problems involving two players: one aims to solve an optimization problem on a network, while the other seeks to modify the network to thwart the first player's objectives. Such problems typically emerge in an attacker-defender context, encompassing areas such as military operations, disease spread analysis, and communication network management. The primary bottleneck in network interdiction arises from the high time complexity of using conventional exact solvers and the challenges associated with devising efficient heuristic solvers. GNNs, recognized as a cutting-edge methodology, have shown significant effectiveness in addressing single-level CO problems on graphs, such as the traveling salesman problem, graph matching, and graph edit distance. Nevertheless, network interdiction presents a bi-level optimization challenge, which current GNNs find difficult to manage. To address this gap, we represent network interdiction problems as Mixed-Integer Linear Programming (MILP) instances, then apply a multipartite GNN with sufficient representational capacity to learn these formulations. This approach ensures that our neural network is more compatible with the mathematical algorithms designed to solve network interdiction problems, resulting in improved generalization. Through two distinct tasks, we demonstrate that our proposed method outperforms theoretical baseline models and provides advantages over traditional exact solvers.

Generating data with properties of interest by external users while following the right causation among its intrinsic factors is important yet has not been well addressed jointly. This is due to the long-lasting challenge of jointly identifying key latent variables, their causal relations, and their correlation with properties of interest, as well as how to leverage their discoveries toward causally controlled data generation. To address these challenges, we propose a novel deep generative framework called the Correlation-aware Causal Variational Auto-encoder (C2VAE). This framework simultaneously recovers the correlation and causal relationships between properties using disentangled latent vectors. Specifically, causality is captured by learning the causal graph on latent variables through a structural causal model, while correlation is learned via a novel correlation pooling algorithm. Extensive experiments demonstrate C2VAE's ability to accurately recover true causality and correlation, as well as its superiority in controllable data generation compared to baseline models., Comment: 13 pages, 6 figures

Temporal Domain Generalization (TDG) addresses the challenge of training predictive models under temporally varying data distributions. Traditional TDG approaches typically focus on domain data collected at fixed, discrete time intervals, which limits their capability to capture the inherent dynamics within continuous-evolving and irregularly-observed temporal domains. To overcome this, this work formalizes the concept of Continuous Temporal Domain Generalization (CTDG), where domain data are derived from continuous times and are collected at arbitrary times. CTDG tackles critical challenges including: 1) Characterizing the continuous dynamics of both data and models, 2) Learning complex high-dimensional nonlinear dynamics, and 3) Optimizing and controlling the generalization across continuous temporal domains. To address them, we propose a Koopman operator-driven continuous temporal domain generalization (Koodos) framework. We formulate the problem within a continuous dynamic system and leverage the Koopman theory to learn the underlying dynamics; the framework is further enhanced with a comprehensive optimization strategy equipped with analysis and control driven by prior knowledge of the dynamics patterns. Extensive experiments demonstrate the effectiveness and efficiency of our approach.

Modern LVLMs still struggle to achieve fine-grained document understanding, such as OCR/translation/caption for regions of interest to the user, tasks that require the context of the entire page, or even multiple pages. Accordingly, this paper proposes Fox, an effective pipeline, hybrid data, and tuning strategy, that catalyzes LVLMs to focus anywhere on single/multi-page documents. We introduce a novel task to boost the document understanding by making LVLMs focus attention on the document-level region, such as redefining full-page OCR as foreground focus. We employ multiple vision vocabularies to extract visual hybrid knowledge for interleaved document pages (e.g., a page containing a photo). Meanwhile, we render cross-vocabulary vision data as the catalyzer to achieve a full reaction of multiple visual vocabularies and in-document figure understanding. Further, without modifying the weights of multiple vision vocabularies, the above catalyzed fine-grained understanding capabilities can be efficiently tuned to multi-page documents, enabling the model to focus anywhere in both format-free and page-free manners. Besides, we build a benchmark including 9 fine-grained sub-tasks (e.g., region-level OCR/summary, color-guided OCR) to promote document analysis in the community. The experimental results verify the superiority of our model.

Point clouds have become increasingly vital across various applications thanks to their ability to realistically depict 3D objects and scenes. Nevertheless, effectively compressing unstructured, high-precision point cloud data remains a significant challenge. In this paper, we present a pioneering point cloud compression framework capable of handling both geometry and attribute components. Unlike traditional approaches and existing learning-based methods, our framework utilizes two coordinate-based neural networks to implicitly represent a voxelized point cloud. The first network generates the occupancy status of a voxel, while the second network determines the attributes of an occupied voxel. To tackle an immense number of voxels within the volumetric space, we partition the space into smaller cubes and focus solely on voxels within non-empty cubes. By feeding the coordinates of these voxels into the respective networks, we reconstruct the geometry and attribute components of the original point cloud. The neural network parameters are further quantized and compressed. Experimental results underscore the superior performance of our proposed method compared to the octree-based approach employed in the latest G-PCC standards. Moreover, our method exhibits high universality when contrasted with existing learning-based techniques., Comment: 6 Pages, 6 Figures, submitted to IEEE ICCC

In this paper, we propose an optimization based SLAM approach to simultaneously optimize the robot trajectory and the occupancy map using 2D laser scans (and odometry) information. The key novelty is that the robot poses and the occupancy map are optimized together, which is significantly different from existing occupancy mapping strategies where the robot poses need to be obtained first before the map can be estimated. In our formulation, the map is represented as a continuous occupancy map where each 2D point in the environment has a corresponding evidence value. The Occupancy-SLAM problem is formulated as an optimization problem where the variables include all the robot poses and the occupancy values at the selected discrete grid cell nodes. We propose a variation of Gauss-Newton method to solve this new formulated problem, obtaining the optimized occupancy map and robot trajectory together with their uncertainties. Our algorithm is an offline approach since it is based on batch optimization and the number of variables involved is large. Evaluations using simulations and publicly available practical 2D laser datasets demonstrate that the proposed approach can estimate the maps and robot trajectories more accurately than the state-of-the-art techniques, when a relatively accurate initial guess is provided to our algorithm. The video shows the convergence process of the proposed Occupancy-SLAM and comparison of results to Cartographer can be found at \url{https://youtu.be/4oLyVEUC4iY}., Comment: This paper has been accpeted by Robotics: Science and Systems 2022

We present DeepSeek-V2, a strong Mixture-of-Experts (MoE) language model characterized by economical training and efficient inference. It comprises 236B total parameters, of which 21B are activated for each token, and supports a context length of 128K tokens. DeepSeek-V2 adopts innovative architectures including Multi-head Latent Attention (MLA) and DeepSeekMoE. MLA guarantees efficient inference through significantly compressing the Key-Value (KV) cache into a latent vector, while DeepSeekMoE enables training strong models at an economical cost through sparse computation. Compared with DeepSeek 67B, DeepSeek-V2 achieves significantly stronger performance, and meanwhile saves 42.5% of training costs, reduces the KV cache by 93.3%, and boosts the maximum generation throughput to 5.76 times. We pretrain DeepSeek-V2 on a high-quality and multi-source corpus consisting of 8.1T tokens, and further perform Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) to fully unlock its potential. Evaluation results show that, even with only 21B activated parameters, DeepSeek-V2 and its chat versions still achieve top-tier performance among open-source models.

We introduce GraphSL, a new library for studying the graph source localization problem. graph diffusion and graph source localization are inverse problems in nature: graph diffusion predicts information diffusions from information sources, while graph source localization predicts information sources from information diffusions. GraphSL facilitates the exploration of various graph diffusion models for simulating information diffusions and enables the evaluation of cutting-edge source localization approaches on established benchmark datasets. The source code of GraphSL is made available at Github Repository (https://github.com/xianggebenben/GraphSL). Bug reports and feedback can be directed to the Github issues page (https://github.com/xianggebenben/GraphSL/issues).

Despite significant progress in time series forecasting, existing forecasters often overlook the heterogeneity between long-range and short-range time series, leading to performance degradation in practical applications. In this work, we highlight the need of distinct objectives tailored to different ranges. We point out that time series can be decomposed into global patterns and local variations, which should be addressed separately in long- and short-range time series. To meet the objectives, we propose a multi-scale hybrid Mamba-Transformer experts model State Space Transformer (SST). SST leverages Mamba as an expert to extract global patterns in coarse-grained long-range time series, and Local Window Transformer (LWT), the other expert to focus on capturing local variations in fine-grained short-range time series. With an input-dependent mechanism, State Space Model (SSM)-based Mamba is able to selectively retain long-term patterns and filter out fluctuations, while LWT employs a local window to enhance locality-awareness capability, thus effectively capturing local variations. To adaptively integrate the global patterns and local variations, a long-short router dynamically adjusts contributions of the two experts. SST achieves superior performance with scaling linearly $O(L)$ on time series length $L$. The comprehensive experiments demonstrate the SST can achieve SOTA results in long-short range time series forecasting while maintaining low memory footprint and computational cost. The code of SST is available at https://github.com/XiongxiaoXu/SST.

Source localization aims to locate information diffusion sources only given the diffusion observation, which has attracted extensive attention in the past few years. Existing methods are mostly tailored for single networks and may not be generalized to handle more complex networks like cross-networks. Cross-network is defined as two interconnected networks, where one network's functionality depends on the other. Source localization on cross-networks entails locating diffusion sources on the source network by only giving the diffused observation in the target network. The task is challenging due to challenges including: 1) diffusion sources distribution modeling; 2) jointly considering both static and dynamic node features; and 3) heterogeneous diffusion patterns learning. In this work, we propose a novel method, namely CNSL, to handle the three primary challenges. Specifically, we propose to learn the distribution of diffusion sources through Bayesian inference and leverage disentangled encoders to separately learn static and dynamic node features. The learning objective is coupled with the cross-network information propagation estimation model to make the inference of diffusion sources considering the overall diffusion process. Additionally, we also provide two novel cross-network datasets collected by ourselves. Extensive experiments are conducted on both datasets to demonstrate the effectiveness of \textit{CNSL} in handling the source localization on cross-networks., Comment: Code and data are available at: https://github.com/tanmoysr/CNSL/

This paper makes the first attempt towards unsupervised preference alignment in Vision-Language Models (VLMs). We generate chosen and rejected responses with regard to the original and augmented image pairs, and conduct preference alignment with direct preference optimization. It is based on a core idea: properly designed augmentation to the image input will induce VLM to generate false but hard negative responses, which helps the model to learn from and produce more robust and powerful answers. The whole pipeline no longer hinges on supervision from GPT-4 or human involvement during alignment, and is highly efficient with few lines of code. With only 8k randomly sampled unsupervised data, it achieves 90\% relative score to GPT-4 on complex reasoning in LLaVA-Bench, and improves LLaVA-7B/13B by 6.7\%/5.6\% score on complex multi-modal benchmark MM-Vet. Visualizations shows its improved ability to align with user-intentions. A series of ablations are firmly conducted to reveal the latent mechanism of the approach, which also indicates its potential towards further scaling. Code are available in https://github.com/Kevinz-code/SeVa., Comment: MM2024 oral

Chart parsing poses a significant challenge due to the diversity of styles, values, texts, and so forth. Even advanced large vision-language models (LVLMs) with billions of parameters struggle to handle such tasks satisfactorily. To address this, we propose OneChart: a reliable agent specifically devised for the structural extraction of chart information. Similar to popular LVLMs, OneChart incorporates an autoregressive main body. Uniquely, to enhance the reliability of the numerical parts of the output, we introduce an auxiliary token placed at the beginning of the total tokens along with an additional decoder. The numerically optimized (auxiliary) token allows subsequent tokens for chart parsing to capture enhanced numerical features through causal attention. Furthermore, with the aid of the auxiliary token, we have devised a self-evaluation mechanism that enables the model to gauge the reliability of its chart parsing results by providing confidence scores for the generated content. Compared to current state-of-the-art (SOTA) chart parsing models, e.g., DePlot, ChartVLM, ChartAst, OneChart significantly outperforms in Average Precision (AP) for chart structural extraction across multiple public benchmarks, despite enjoying only 0.2 billion parameters. Moreover, as a chart parsing agent, it also brings 10%+ accuracy gains for the popular LVLM (LLaVA-1.6) in the downstream ChartQA benchmark., Comment: 14 pages, 9 figures and 6 tables

Recent advances in large language models (LLMs) have enhanced their ability to process long input contexts. This development is particularly crucial for tasks that involve retrieving knowledge from an external datastore, which can result in long inputs. However, recent studies show a positional bias in LLMs, demonstrating varying performance depending on the location of useful information within the input sequence. In this study, we conduct extensive experiments to investigate the root causes of positional bias. Our findings indicate that the primary contributor to LLM positional bias stems from the inherent positional preferences of different models. We demonstrate that merely employing prompt-based solutions is inadequate for overcoming the positional preferences. To address this positional bias issue of a pre-trained LLM, we developed a Position-Aware Parameter Efficient Fine-Tuning (PAPEFT) approach which is composed of a data augmentation technique and a parameter efficient adapter, enhancing a uniform attention distribution across the input context. Our experiments demonstrate that the proposed approach effectively reduces positional bias, improving LLMs' effectiveness in handling long context sequences for various tasks that require externally retrieved knowledge.

We have established a coherent framework for applying variational methods to partial differential equations on hypergraphs, which includes the propositions of calculus and function spaces on hypergraphs. Several results related to the maximum principle on hypergraphs have also been proven. As applications, we demonstrated how these can be used to study partial differential equations on hypergraphs., Comment: 20 pages, 25 references

Explanation supervision aims to enhance deep learning models by integrating additional signals to guide the generation of model explanations, showcasing notable improvements in both the predictability and explainability of the model. However, the application of explanation supervision to higher-dimensional data, such as 3D medical images, remains an under-explored domain. Challenges associated with supervising visual explanations in the presence of an additional dimension include: 1) spatial correlation changed, 2) lack of direct 3D annotations, and 3) uncertainty varies across different parts of the explanation. To address these challenges, we propose a Dynamic Uncertainty-aware Explanation supervision (DUE) framework for 3D explanation supervision that ensures uncertainty-aware explanation guidance when dealing with sparsely annotated 3D data with diffusion-based 3D interpolation. Our proposed framework is validated through comprehensive experiments on diverse real-world medical imaging datasets. The results demonstrate the effectiveness of our framework in enhancing the predictability and explainability of deep learning models in the context of medical imaging diagnosis applications., Comment: 9 pages,6 figures

The transformative impact of large language models (LLMs) like LLaMA and GPT on natural language processing is countered by their prohibitive computational demands. Pruning has emerged as a pivotal compression strategy, introducing sparsity to enhance both memory and computational efficiency. Yet, traditional global pruning is impractical for LLMs due to scalability issues, while local pruning, despite its efficiency, leads to suboptimal solutions. Addressing these challenges, we propose SparseLLM, a novel framework that redefines the global pruning process into manageable, coordinated subproblems, allowing for resource-efficient optimization with global optimality. SparseLLM's approach, which conceptualizes LLMs as a chain of modular functions and leverages auxiliary variables for problem decomposition, not only facilitates a pragmatic application on LLMs but also demonstrates significant performance improvements, particularly in high-sparsity regimes where it surpasses current state-of-the-art methods., Comment: Preprint. Under review

Multiplex influence maximization (MIM) asks us to identify a set of seed users such as to maximize the expected number of influenced users in a multiplex network. MIM has been one of central research topics, especially in nowadays social networking landscape where users participate in multiple online social networks (OSNs) and their influences can propagate among several OSNs simultaneously. Although there exist a couple combinatorial algorithms to MIM, learning-based solutions have been desired due to its generalization ability to heterogeneous networks and their diversified propagation characteristics. In this paper, we introduce MIM-Reasoner, coupling reinforcement learning with probabilistic graphical model, which effectively captures the complex propagation process within and between layers of a given multiplex network, thereby tackling the most challenging problem in MIM. We establish a theoretical guarantee for MIM-Reasoner as well as conduct extensive analyses on both synthetic and real-world datasets to validate our MIM-Reasoner's performance.

The deployment and application of Large Language Models (LLMs) is hindered by their memory inefficiency, computational demands, and the high costs of API inferences. Traditional distillation methods, which transfer the capabilities of LLMs to smaller models, often fail to determine whether the knowledge has been sufficiently transferred, potentially resulting in high costs or incomplete distillation. In this paper, we propose an Explanation-Guided LLMs Active Distillation (ELAD) framework that employs an active learning strategy to optimize the balance between annotation costs and model performance. To improve efficient sample selection, we introduce an explanation-guided sample selection method that identifies samples challenging its reasoning by exploiting uncertainties in explanation steps. Additionally, we present a customized LLM-annotated explanation revision technique where the teacher model detects and corrects flaws in the student model's reasoning. Our experiments across various reasoning datasets demonstrate that our framework significantly enhances the efficiency of LLM knowledge distillation.

Text-Attributed Graphs (TAGs) are graphs of connected textual documents. Graph models can efficiently learn TAGs, but their training heavily relies on human-annotated labels, which are scarce or even unavailable in many applications. Large language models (LLMs) have recently demonstrated remarkable capabilities in few-shot and zero-shot TAG learning, but they suffer from scalability, cost, and privacy issues. Therefore, in this work, we focus on synergizing LLMs and graph models with their complementary strengths by distilling the power of LLMs to a local graph model on TAG learning. To address the inherent gaps between LLMs (generative models for texts) and graph models (discriminative models for graphs), we propose first to let LLMs teach an interpreter with rich textual rationale and then let a student model mimic the interpreter's reasoning without LLMs' textual rationale. Extensive experiments validate the efficacy of our proposed framework., Comment: CIKM 2024

Zero-shot link prediction (ZSLP) on knowledge graphs aims at automatically identifying relations between given entities. Existing methods primarily employ auxiliary information to predict tail entity given head entity and its relation, yet face challenges due to the occasional unavailability of such detailed information and the inherent simplicity of predicting tail entities based on semantic similarities. Even though Large Language Models (LLMs) offer a promising solution to predict unobserved relations between the head and tail entity in a zero-shot manner, their performance is still restricted due to the inability to leverage all the (exponentially many) paths' information between two entities, which are critical in collectively indicating their relation types. To address this, in this work, we introduce a Condensed Transition Graph Framework for Zero-Shot Link Prediction (CTLP), which encodes all the paths' information in linear time complexity to predict unseen relations between entities, attaining both efficiency and information preservation. Specifically, we design a condensed transition graph encoder with theoretical guarantees on its coverage, expressiveness, and efficiency. It is learned by a transition graph contrastive learning strategy. Subsequently, we design a soft instruction tuning to learn and map the all-path embedding to the input of LLMs. Experimental results show that our proposed CTLP method achieves state-of-the-art performance on three standard ZSLP datasets

Quantum key distribution, which ensures information-theoretically secret key generation, is currently advancing through photonic integration to achieve high performance, cost reduction and compact size, thereby facilitating the large-scale deployment. Continuous-variable quantum key distribution is an attractive approach for photonic integrations due to its compatibility with off-the-shelf optical communication devices. However, its chip-based systems have encountered significant limitations primarily related to the shot-noise-limited receiver design, which demands low noise, wide bandwidth, high clearance and well stability. Here, we report the implementation of a real local oscillator continuous-variable quantum key distribution system with an integrated silicon photonic receiver chip. Thanks to the well-designed chip-based homodyne detectors with a bandwidth up to 1.5 GHz and a clearance up to 7.42 dB, the transmission distance of the system has been extended to 28.6 km, achieving a secret key generation rate of Mbps level. This technological advancement enables the quantum key distribution systems with photonic integrated receivers to achieve the coverage in both access network scenarios and short-distance metropolitan interconnections, paving the way for the development of the next-generation quantum key distribution networks on a large scale., Comment: 5 pages, 4 figures

In-context learning has emerged as a groundbreaking ability of Large Language Models (LLMs) and revolutionized various fields by providing a few task-relevant demonstrations in the prompt. However, trustworthy issues with LLM's response, such as hallucination, have also been actively discussed. Existing works have been devoted to quantifying the uncertainty in LLM's response, but they often overlook the complex nature of LLMs and the uniqueness of in-context learning. In this work, we delve into the predictive uncertainty of LLMs associated with in-context learning, highlighting that such uncertainties may stem from both the provided demonstrations (aleatoric uncertainty) and ambiguities tied to the model's configurations (epistemic uncertainty). We propose a novel formulation and corresponding estimation method to quantify both types of uncertainties. The proposed method offers an unsupervised way to understand the prediction of in-context learning in a plug-and-play fashion. Extensive experiments are conducted to demonstrate the effectiveness of the decomposition. The code and data are available at: https://github.com/lingchen0331/UQ_ICL., Comment: Accepted to the main conference of NAACL 2024

The NK hybrid genetic algorithm for clustering is proposed in this paper. In order to evaluate the solutions, the hybrid algorithm uses the NK clustering validation criterion 2 (NKCV2). NKCV2 uses information about the disposition of $N$ small groups of objects. Each group is composed of $K+1$ objects of the dataset. Experimental results show that density-based regions can be identified by using NKCV2 with fixed small $K$. In NKCV2, the relationship between decision variables is known, which in turn allows us to apply gray box optimization. Mutation operators, a partition crossover, and a local search strategy are proposed, all using information about the relationship between decision variables. In partition crossover, the evaluation function is decomposed into $q$ independent components; partition crossover then deterministically returns the best among $2^q$ possible offspring with computational complexity $O(N)$. The NK hybrid genetic algorithm allows the detection of clusters with arbitrary shapes and the automatic estimation of the number of clusters. In the experiments, the NK hybrid genetic algorithm produced very good results when compared to another genetic algorithm approach and to state-of-art clustering algorithms.