Multimodal entity linking (MEL) aims to link ambiguous mentions within multimodal contexts to corresponding entities in a multimodal knowledge base. Most existing approaches to MEL are based on representation learning or vision-and-language pre-training mechanisms for exploring the complementary effect among multiple modalities. However, these methods suffer from two limitations. On the one hand, they overlook the possibility of considering negative samples from the same modality. On the other hand, they lack mechanisms to capture bidirectional cross-modal interaction. To address these issues, we propose a Multi-level Matching network for Multimodal Entity Linking(M3EL). Specifically, M3EL is composed of three different modules: (i) a Multimodal Feature Extraction module, which extracts modality-specific representations with a multimodal encoder and introduces an intra-modal contrastive learning sub-module to obtain better discriminative embeddings based on uni-modal differences; (ii) an Intra-modal Matching Network module, which contains two levels of matching granularity: Coarse-grained Global-to-Global and Fine-grained Global-to-Local, to achieve local and global level intra-modal interaction; (iii) a Cross-modal Matching Network module, which applies bidirectional strategies, Textual-to-Visual and Visual-to-Textual matching, to implement bidirectional cross-modal interaction. Extensive experiments conducted on WikiMEL, RichpediaMEL, and WikiDiverse datasets demonstrate the outstanding performance of M3EL when compared to the state-of-the-art baselines.
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Large Language Model (LLM) based agents have garnered significant attention and are becoming increasingly popular. Furthermore, planning ability is a crucial component of an LLM-based agent, involving interaction with the environment and executing actions to complete a planning task, which generally entails achieving a desired goal from an initial state. This paper investigates enhancing the planning abilities of LLM-based agents through instruction tuning, referred to as agent training. Recent studies on agent training have demonstrated that utilizing expert-level trajectory data (sequences of action-observation pairs) for instruction-tuning LLMs effectively enhances their planning capabilities. However, existing work primarily focuses on synthesizing trajectories from manually designed planning tasks and environments. The labor-intensive nature of creating these environments and tasks impedes the generation of sufficiently varied and extensive trajectories for agent training. To address this limitation, this paper explores the automated synthesis of diverse environments and a gradual range of planning tasks, from easy to difficult. We introduce a framework, AgentGen, that leverages LLMs first to generate environments and subsequently generate planning tasks conditioned on these environments. Specifically, to improve environmental diversity, we propose using an inspiration corpus composed of various domain-specific text segments as the context for synthesizing environments. Moreover, to increase the difficulty diversity of generated planning tasks, we propose a bidirectional evolution method, Bi-Evol, that evolves planning tasks from easier and harder directions to synthesize a task set with a smoother difficulty curve, thereby enhancing the learning process of LLMs more effectively. These methods collectively contribute to the generation of diverse trajectory data for instruction-tuning. Based on AgentGen, we greatly expanded the number of environments and planning tasks available for agent training. The evaluation results from AgentBoard indicate that AgentGen greatly enhances the planning capabilities of LLMs. For instance, the AgentGen instruction-tuned Llama-3.1-8B outperforms GPT-3.5 in overall performance. Moreover, the AgentGen-tuned Llama-3.1-70B model achieves state-of-the-art results in planning tasks. Project page: https://agent-gen.github.io/.
Global placement, a critical step in designing the physical layout of computer chips, is essential to optimize chip performance. Prior global placement methods optimize each circuit design individually from scratch. Their neglect of transferable knowledge limits solution efficiency and chip performance as circuit complexity drastically increases. This study presents TransPlace, a global placement framework that learns to place millions of mixed-size cells in continuous space. TransPlace introduces i) Netlist Graph to efficiently model netlist topology, ii) Cell-flow and relative position encoding to learn SE(2)-invariant representation, iii) a tailored graph neural network architecture for informed parameterization of placement knowledge, and iv) a two-stage strategy for coarse-to-fine placement. Compared to state-of-the-art placement methods, TransPlace-trained on a few high-quality placements-can place unseen circuits with 1.2x speedup while reducing congestion by 30%, timing by 9%, and wirelength by 5%.
As one of the most successful generative models, diffusion models have demonstrated remarkable efficacy in synthesizing high-quality images. These models learn the underlying high-dimensional data distribution in an unsupervised manner. Despite their success, diffusion models are highly data-driven and prone to inheriting the imbalances and biases present in real-world data. Some studies have attempted to address these issues by designing text prompts for known biases or using bias labels to construct unbiased data. While these methods have shown improved results, real-world scenarios often contain various unknown biases, and obtaining bias labels is particularly challenging. In this paper, we emphasize the necessity of mitigating bias in pre-trained diffusion models without relying on auxiliary bias annotations. To tackle this problem, we propose a framework, InvDiff, which aims to learn invariant semantic information for diffusion guidance. Specifically, we propose identifying underlying biases in the training data and designing a novel debiasing training objective. Then, we employ a lightweight trainable module that automatically preserves invariant semantic information and uses it to guide the diffusion model's sampling process toward unbiased outcomes simultaneously. Notably, we only need to learn a small number of parameters in the lightweight learnable module without altering the pre-trained diffusion model. Furthermore, we provide a theoretical guarantee that the implementation of InvDiff is equivalent to reducing the error upper bound of generalization. Extensive experimental results on three publicly available benchmarks demonstrate that InvDiff effectively reduces biases while maintaining the quality of image generation. Our code is available at https://github.com/Hundredl/InvDiff.
Large quantities of social activity data, such as weekly web search volumes and the number of new infections with infectious diseases, reflect peoples' interests and activities. It is important to discover temporal patterns from such data and to forecast future activities accurately. However, modeling and forecasting social activity data streams is difficult because they are high-dimensional and composed of multiple time-varying dynamics such as trends, seasonality, and interest diffusion. In this paper, we propose D-Tracker, a method for continuously capturing time-varying temporal patterns within social activity tensor data streams and forecasting future activities. Our proposed method has the following properties: (a) Interpretable: it incorporates the partial differential equation into a tensor decomposition framework and captures time-varying temporal patterns such as trends, seasonality, and interest diffusion between locations in an interpretable manner; (b) Automatic: it has no hyperparameters and continuously models tensor data streams fully automatically; (c) Scalable: the computation time of D-Tracker is independent of the time series length. Experiments using web search volume data obtained from GoogleTrends, and COVID-19 infection data obtained from COVID-19 Open Data Repository show that our method can achieve higher forecasting accuracy in less computation time than existing methods while extracting the interest diffusion between locations. Our source code and datasets are available at https://github.com/Higashiguchi-Shingo/D-Tracker.
Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph learning has predominantly focused on single-graph models, tailored to specific tasks or datasets, lacking the ability to transfer learned knowledge to different domains. This limitation stems from the inherent complexity and diversity of graph structures, along with the different feature and label spaces specific to graph data. In this paper, we recognize text as an effective unifying medium and employ Text-Attributed Graphs (TAGs) to leverage this potential. We present our UniGraph framework, designed to learn a foundation model for TAGs, which is capable of generalizing to unseen graphs and tasks across diverse domains. Unlike single-graph models that use pre-computed node features of varying dimensions as input, our approach leverages textual features for unifying node representations, even for graphs such as molecular graphs that do not naturally have textual features. We propose a novel cascaded architecture of Language Models (LMs) and Graph Neural Networks (GNNs) as backbone networks. Additionally, we propose the first pre-training algorithm specifically designed for large-scale self-supervised learning on TAGs, based on Masked Graph Modeling. We introduce graph instruction tuning using Large Language Models (LLMs) to enable zero-shot prediction ability. Our comprehensive experiments across various graph learning tasks and domains demonstrate the model's effectiveness in self-supervised representation learning on unseen graphs, few-shot in-context transfer, and zero-shot transfer, even surpassing or matching the performance of GNNs that have undergone supervised training on target datasets.
Hyperbolic neural networks have emerged as a powerful tool for modeling hierarchical data structures prevalent in real-world datasets. Notably, residual connections, which facilitate the direct flow of information across layers, have been instrumental in the success of deep neural networks. However, current methods for constructing hyperbolic residual networks suffer from limitations such as increased model complexity, numerical instability, and errors due to multiple mappings to and from the tangent space. To address these limitations, we introduce LResNet, a novel Lorentzian residual neural network based on the weighted Lorentzian centroid in the Lorentz model of hyperbolic geometry. Our method enables the efficient integration of residual connections in Lorentz hyperbolic neural networks while preserving their hierarchical representation capabilities. We demonstrate that our method can theoretically derive previous methods while offering improved stability, efficiency, and effectiveness. Extensive experiments on both graph and vision tasks showcase the superior performance and robustness of our method compared to state-of-the-art Euclidean and hyperbolic alternatives. Our findings highlight the potential of LResNet for building more expressive neural networks in hyperbolic embedding space as a generally applicable method to multiple architectures, including CNNs, GNNs, and graph Transformers.
Diversity control is an important task to alleviate bias amplification and filter bubble problems. The desired degree of diversity may fluctuate based on users' daily moods or business strategies. However, existing methods for controlling diversity often lack flexibility, as diversity is decided during training and cannot be easily modified during inference. We propose D3Rec (Disentangled Diffusion model for Diversified Recommendation), an end-to-end method that controls the accuracy-diversity trade-off at inference. D3Rec meets our three desiderata by (1) generating recommendations based on category preferences, (2) controlling category preferences during the inference phase, and (3) adapting to arbitrary targeted category preferences. In the forward process, D3Rec removes category preferences lurking in user interactions by adding noises. Then, in the reverse process, D3Rec generates recommendations through denoising steps while reflecting desired category preferences. Extensive experiments on real-world and synthetic datasets validate the effectiveness of D3Rec in controlling diversity at inference.
With increasingly deployed deep neural networks in sensitive application domains, such as healthcare and security, it's essential to understand what kind of sensitive information can be inferred from these models. Most known model-targeted attacks assume attackers have learned the application domain or training data distribution to ensure successful attacks. Can removing the domain information from model APIs protect models from these attacks? This paper studies this critical problem. Unfortunately, even with minimal knowledge, i.e., accessing the model as an unnamed function without leaking the meaning of input and output, the proposed adaptive domain inference attack (ADI) can still successfully estimate relevant subsets of training data. We show that the extracted relevant data can significantly improve, for instance, the performance of model-inversion attacks. Specifically, the ADI method utilizes the concept hierarchy extracted from the public and private datasets that the attacker can access and applies a novel algorithm to adaptively tune the likelihood of leaf concepts in the hierarchy showing up in the unseen training data. For comparison, we also designed a straightforward hypothesis-testing-based attack -- LDI. The ADI attack not only extracts partial training data at the concept level but also converges fastest and requires the fewest target-model accesses among all candidate methods. Our code is available at https://anonymous.4open.science/r/KDD-362D.
Cognitive diagnosis is a fundamental task in intelligent education, aiming to measure students' proficiency on knowledge concepts based on practice data. Traditional methods utilize a broadly-defined latent trait θ to represent knowledge proficiency with some cognitive factors like skill or ability. However, existing methods simplify this to a narrowly-defined latent trait θ, which focuses only on knowledge or treats these cognitive factors as implicit features inferred from data. They fail to explicitly model these cognitive factors, resulting in limited performance and interpretability. To this end, we revisit essence of cognition in Educational Psychology Theory and propose a novel Cognition-aware Cognitive Diagnosis (CCD) model, where we first introduce the Cognition factor as a bridge into the long-standing three-basic-factors (Student, Exercise, Knowledge concept) paradigm. CCD has two main parts: cognition representations and a two-stage diagnostic process. In the first part, we explicitly model cognitive process (CP) dimensions from Bloom's Taxonomy of Educational Objectives, leading to two innovative concepts proposed: the student's Subjective Cognitive Ability (SCA) and the exercise's Objective Cognitive Attribute (OCA), derived by regulating the CP through S-K and E-K interactions, respectively. Then, the SCA and OCA are formed into a new cognition-aware latent trait θ. In the second part, we employ a basic interaction function and a slip and guess influence function, inputting our new θ, a continuous Q-matrix (generated by a siamese PLMs), and other features to obtain the ideal result, followed by feeding it into the slip and guess influence function to obtain the actual result. Extensive experiments on real-world datasets demonstrates the superior effectiveness and good interpretability.
Test-time adaptation aims to adapt pre-trained deep neural networks using solely online unlabelled test data during inference. Although TTA has shown promise in visual applications, its potential in time series contexts remains largely unexplored. Existing TTA methods, originally designed for visual tasks, may not effectively handle the complex temporal dynamics of real-world time series data, resulting in suboptimal adaptation performance. To address this gap, we propose Augmented Contrastive Clustering with Uncertainty-aware Prototyping (ACCUP), a straightforward yet effective TTA method for time series data. Initially, our approach employs augmentation ensemble on the time series data to capture diverse temporal information and variations, incorporating uncertainty-aware prototypes to distill essential characteristics. Additionally, we introduce an entropy comparison scheme to selectively acquire more confident predictions, enhancing the reliability of pseudo labels. Furthermore, we utilize augmented contrastive clustering to enhance feature discriminability and mitigate error accumulation from noisy pseudo labels, promoting cohesive clustering within the same class while facilitating clear separation between different classes. Extensive experiments conducted on three real-world time series datasets demonstrate the effectiveness and generalization potential of the proposed method, advancing the underexplored realm of TTA for time series data. Our code is available at https://github.com/Tokenmw/ACCUP-main.
We introduce the novel problem of benchmarking fraud detectors on private graph-structured data. Currently, many types of fraud are managed in part by automated detection algorithms that operate over graphs. We consider the scenario where a data holder wishes to outsource development of fraud detectors to third parties (e.g., vendors or researchers). The third parties submit their fraud detectors to the data holder, who evaluates these algorithms on a private dataset and then publicly communicates the results. We propose a realistic privacy attack on this system that allows an adversary to de-anonymize individuals' data based only on the evaluation results. In simulations of a privacy-sensitive benchmark for facial recognition algorithms by the National Institute of Standards and Technology (NIST), our attack achieves near perfect accuracy in identifying whether individuals' data is present in a private dataset, with a True Positive Rate of 0.98 at a False Positive Rate of 0.00. We then study how to benchmark algorithms while satisfying a formal differential privacy (DP) guarantee. We empirically evaluate two classes of solutions: subsample-and-aggregate and DP synthetic graph data. We demonstrate through extensive experiments that current approaches fail to provide utility when guaranteeing DP. Our results indicate that the error arising from DP trades off between bias from distorting graph structure and variance from adding random noise. Current methods lie on different points along this bias-variance trade-off, but more complex methods tend to require high-variance noise addition, undermining utility.
The ability to detect and adapt to changes in data distributions is crucial to maintain the accuracy and reliability of machine learning models. Detection is generally approached by observing the drift of model performance from a global point of view. However, drifts occurring in (fine-grained) data subgroups may go unnoticed when monitoring global drift.We take a different perspective, and introduce methods for observing drift at the finer granularity of subgroups. Relevant data subgroups are identified during training and monitored efficiently throughout the model's life. Performance drifts in any subgroup are detected, quantified and characterized so as to provide an interpretable summary of the model behavior over time. Experimental results confirm that our subgroup-level drift analysis identifies drifts that do not show at the (coarser) global dataset level. The proposed approach provides a valuable tool for monitoring model performance in dynamic real-world applications, offering insights into the evolving nature of data and ultimately contributing to more robust and adaptive models.
Programming Knowledge Tracking (PKT) aims to dynamically diagnose learners' mastery levels of programming knowledge based on their coding activities, facilitating more effective and personalized programming education. However, current PKT studies primarily focus on the implicit relationship between code content and knowledge assessment, often overlooking two types of noise signals in long-term programming activities: unwanted signals from unrelated submissions and weak signals from minor modifications. This practical challenge significantly limits model performance and application. To address this issue, we propose Coda, a Code graph-based tuning adaptor designed to enhance existing PKT models by identifying and mitigating the impact of noise. Specifically, Coda first transforms the loose code sequences submitted by each learner into a compact code graph. By leveraging this code graph, unwanted signals can be identified from a semantic similarity perspective. We then apply a cluster-aware GCN to the code graph, which improves the discrimination of weak signals and enables their clustering for identification. Finally, a lightweight yet effective adaptor is incorporated into the PKT task through optimization with two noise feature-based constraints and a navigational regularization term, to correct knowledge states affected by noise. It is worth mentioning that the Coda framework is model-agnostic and can be adapted to most existing PKT solutions. Extensive experimental results on four real-world datasets demonstrate that Coda effectively performs the PKT task in the presence of noisy programming records, outperforming typical baselines.
Traffic encryption has been widely adopted to protect the confidentiality and integrity of Internet traffic. However, attackers can also abuse such mechanism to deliver malicious traffic. Particularly, existing methods detecting encrypted malicious traffic are not robust against evasion attacks that manipulate traffic to obfuscate traffic features. Robust detection against evasion attacks remains an open problem. To the end, we develop Wedjat, which utilizes a causal network to model benign packet interactions among relevant flows, such that it recognizes abnormal causality that represents malicious traffic and disrupted causality incurred by evasion attacks. We extensively evaluate Wedjat with millions of flows collected from a real-world enterprise. The experimental results demonstrate that Wedjat achieves an accuracy of 0.957 F1-score when detecting various advanced attacks. Notably, five sophisticated evasion attacks, which have successfully evaded all existing methods, are accurately detected by Wedjat with over 0.915 F1. It demonstrates that Wedjat achieves exceptional robustness against evasions. Meanwhile, Wed- jat maintains an outstanding detection latency, i.e., it can predict each packet in less than 0.125 seconds.
Molecular docking is a pivotal process in drug discovery. While traditional techniques rely on extensive sampling and simulation governed by physical principles, deep learning has emerged as a promising alternative, offering improvements in both accuracy and efficiency. Building upon the foundational work of FABind, a model focused on speed and accuracy, we introduce FABind+, an enhanced iteration that significantly elevates the performance of its predecessor. We identify pocket prediction as a critical bottleneck in molecular docking and introduce an enhanced approach. In addition to the pocket prediction module, the docking module has also been upgraded with permutation loss and a more refined model design. These designs enable the regression-based FABind+ to surpass most of the generative models. In contrast, while sampling-based models often struggle with inefficiency, they excel in capturing a wide range of potential docking poses, leading to better overall performance. To bridge the gap between sampling and regression docking models, we incorporate a simple yet effective sampling technique coupled with a lightweight confidence model, transforming the regression-based FABind+ into a sampling version without requiring additional training. This involves the introduction of pocket clustering to capture multiple binding sites and dropout sampling for various conformations. The combination of a classification loss and a ranking loss enables the lightweight confidence model to select the most accurate prediction. Experimental results and analysis demonstrate that FABind+ (both the regression and sampling versions) not only significantly outperforms the original FABind, but also achieves competitive state-of-the-art performance. Our code is available at https://github.com/QizhiPei/FABind.
In cloud-centric recommender system, regular data exchanges between user devices and cloud could potentially elevate bandwidth demands and privacy risks. On-device recommendation emerges as a viable solution by performing reranking locally to alleviate these concerns. Existing methods primarily focus on developing local adaptive parameters, while potentially neglecting the critical role of tailor-made model architecture. Insights from broader research domains suggest that varying data distributions might favor distinct architectures for better fitting. In addition, imposing a uniform model structure across heterogeneous devices may result in risking inefficacy on less capable devices or sub-optimal performance on those with sufficient capabilities. In response to these gaps, our paper introduces Forward-OFA, a novel approach for the dynamic construction of device-specific networks (both structure and parameters). Forward-OFA employs a structure controller to selectively determine whether each block needs to be assembled for each device. However, during the training of the structure controller, these assembled heterogeneous structures are jointly optimized, where the co-adaption among blocks might encounter gradient conflicts. To mitigate this, Forward-OFA is designed to establish a structure-guided mapping of real-time behaviors to individual parameters of assembled networks. Structure-related parameters and parallel components within the mapper prevent each part from receiving heterogeneous gradients from others, thus bypassing the gradient conflicts for coupled optimization. Besides, direct mapping enables Forward-OFA to achieve adaptation through only one forward pass, allowing for swift adaptation to changing interests and eliminating the requirement for on-device backpropagation. Further sophisticated design protects user privacy and makes the consumption of additional modules on device negligible. Experiments on real-world datasets demonstrate the effectiveness and efficiency of Forward-OFA.
Road traffic forecasting is crucial in real-world intelligent transportation scenarios like traffic dispatching and path planning in city management and personal traveling. Spatio-temporal graph neural networks (STGNNs) stand out as the mainstream solution in this task. Nevertheless, the quadratic complexity of remarkable dynamic spatial modeling-based STGNNs has become the bottleneck over large-scale traffic data. From the spatial data management perspective, we present a novel Transformer framework called PatchSTG to efficiently and dynamically model spatial dependencies for large-scale traffic forecasting with interpretability and fidelity. Specifically, we design a novel irregular spatial patching to reduce the number of points involved in the dynamic calculation of Transformer. The irregular spatial patching first utilizes the leaf K-dimensional tree (KDTree) to recursively partition irregularly distributed traffic points into leaf nodes with a small capacity, and then merges leaf nodes belonging to the same subtree into occupancy-equaled and non-overlapped patches through padding and backtracking. Based on the patched data, depth and breadth attention are used interchangeably in the encoder to dynamically learn local and global spatial knowledge from points in a patch and points with the same index of patches. Experimental results on four real world large-scale traffic datasets show that our PatchSTG achieves train speed and memory utilization improvements up to 10x and 4x with the state-of-the-art performance.
Due to the non-stationarity of time series, the distribution shift problem largely hinders the performance of time series forecasting. Existing solutions either rely on using certain statistics to specify the shift, or developing specific mechanisms for certain network architectures. However, the former would fail for the unknown shift beyond simple statistics, while the latter has limited compatibility on different forecasting models. To overcome these problems, we first propose a decoupled formulation for time series forecasting, with no reliance on fixed statistics and no restriction on forecasting architectures. This formulation regards the removing-shift procedure as a special transformation between a raw distribution and a desired target distribution and separates it from the forecasting. Such a formulation is further formalized into a bi-level optimization problem, to enable the joint learning of the transformation (outer loop) and forecasting (inner loop). Moreover, the special requirements of expressiveness and bi-direction for the transformation motivate us to propose instance normalization flow (IN-Flow), a novel invertible network for time series transformation. Different from the classic ''normalizing flow'' models, IN-Flow does not aim for normalizing input to the prior distribution (e.g., Gaussian distribution) for generation, but creatively transforms time series distribution by stacking normalization layers and flow-based invertible networks, which is thus named ''normalization'' flow. Finally, we have conducted extensive experiments on both synthetic data and real-world data, which demonstrate the superiority of our method.
Spatial-temporal data, fundamental to many intelligent applications, reveals dependencies indicating causal links between present measurements at specific locations and historical data at the same or other locations. Within this context, adaptive spatial-temporal graph neural networks (ASTGNNs) have emerged as valuable tools for modelling these dependencies, especially through a data-driven approach rather than pre-defined spatial graphs. While this approach offers higher accuracy, it presents increased computational demands. Addressing this challenge, this paper delves into the concept of localisation within ASTGNNs, introducing an innovative perspective that spatial dependencies should be dynamically evolving over time. We introduce DynAGS, a localised ASTGNN framework aimed at maximising efficiency and accuracy in distributed deployment. This framework integrates dynamic localisation, time-evolving spatial graphs, and personalised localisation, all orchestrated around the Dynamic Graph Generator, a light-weighted central module leveraging cross attention. The central module can integrate historical information in a node-independent manner to enhance the feature representation of nodes at the current moment. This improved feature representation is then used to generate a dynamic sparse graph without the need for costly data exchanges, and it supports personalised localisation. Performance assessments across two core ASTGNN architectures and nine real-world datasets from various applications reveal that DynAGS outshines current benchmarks, underscoring that the dynamic modelling of spatial dependencies can drastically improve model expressibility, flexibility, and system efficiency, especially in distributed settings.