Chenghu Zhou

Cheng Deng, Tianhang Zhang, Zhongmou He et al. · meta-ai, mila

Large language models (LLMs) have achieved great success in general domains of natural language processing. In this paper, we bring LLMs to the realm of geoscience with the objective of advancing research and applications in this field. To this end, we present the first-ever LLM in geoscience, K2, alongside a suite of resources developed to further promote LLM research within geoscience. For instance, we have curated the first geoscience instruction tuning dataset, GeoSignal, which aims to align LLM responses to geoscience-related user queries. Additionally, we have established the first geoscience benchmark, GeoBench, to evaluate LLMs in the context of geoscience. In this work, we experiment with a complete recipe to adapt a pre-trained general-domain LLM to the geoscience domain. Specifically, we further train the LLaMA-7B model on 5.5B tokens of geoscience text corpus, including over 1 million pieces of geoscience literature, and utilize GeoSignal's supervised data to fine-tune the model. Moreover, we share a protocol that can efficiently gather domain-specific data and construct domain-supervised data, even in situations where manpower is scarce. Meanwhile, we equip K2 with the abilities of using tools to be a naive geoscience aide. Experiments conducted on the GeoBench demonstrate the effectiveness of our approach and datasets on geoscience knowledge understanding and utilization.We open-source all the training data and K2 model checkpoints at https://github.com/davendw49/k2.

Jiexing Qi, Jingyao Tang, Ziwei He et al. · meta-ai, mila

Relational structures such as schema linking and schema encoding have been validated as a key component to qualitatively translating natural language into SQL queries. However, introducing these structural relations comes with prices: they often result in a specialized model structure, which largely prohibits using large pretrained models in text-to-SQL. To address this problem, we propose RASAT: a Transformer seq2seq architecture augmented with relation-aware self-attention that could leverage a variety of relational structures while inheriting the pretrained parameters from the T5 model effectively. Our model can incorporate almost all types of existing relations in the literature, and in addition, we propose introducing co-reference relations for the multi-turn scenario. Experimental results on three widely used text-to-SQL datasets, covering both single-turn and multi-turn scenarios, have shown that RASAT could achieve state-of-the-art results across all three benchmarks (75.5% EX on Spider, 52.6% IEX on SParC, and 37.4% IEX on CoSQL).

Yunchong Song, Chenghu Zhou, Xinbing Wang et al. · meta-ai, mila

Most graph neural networks follow the message passing mechanism. However, it faces the over-smoothing problem when multiple times of message passing is applied to a graph, causing indistinguishable node representations and prevents the model to effectively learn dependencies between farther-away nodes. On the other hand, features of neighboring nodes with different labels are likely to be falsely mixed, resulting in the heterophily problem. In this work, we propose to order the messages passing into the node representation, with specific blocks of neurons targeted for message passing within specific hops. This is achieved by aligning the hierarchy of the rooted-tree of a central node with the ordered neurons in its node representation. Experimental results on an extensive set of datasets show that our model can simultaneously achieve the state-of-the-art in both homophily and heterophily settings, without any targeted design. Moreover, its performance maintains pretty well while the model becomes really deep, effectively preventing the over-smoothing problem. Finally, visualizing the gating vectors shows that our model learns to behave differently between homophily and heterophily settings, providing an explainable graph neural model.

Lin Zhu, Yifeng Yang, Qinying Gu et al.

Recent vision-language pre-trained models (VL-PTMs) have shown remarkable success in open-vocabulary tasks. However, downstream use cases often involve further fine-tuning of VL-PTMs, which may distort their general knowledge and impair their ability to handle distribution shifts. In real-world scenarios, machine learning systems inevitably encounter both covariate shifts (e.g., changes in image styles) and semantic shifts (e.g., test-time unseen classes). This highlights the importance of enhancing out-of-distribution (OOD) generalization on covariate shifts and simultaneously detecting semantic-shifted unseen classes. Thus a critical but underexplored question arises: How to improve VL-PTMs' generalization ability to closed-set OOD data, while effectively detecting open-set unseen classes during fine-tuning? In this paper, we propose a novel objective function of OOD detection that also serves to improve OOD generalization. We show that minimizing the gradient magnitude of energy scores on training data leads to domain-consistent Hessians of classification loss, a strong indicator for OOD generalization revealed by theoretical analysis. Based on this finding, we have developed a unified fine-tuning framework that allows for concurrent optimization of both tasks. Extensive experiments have demonstrated the superiority of our method. The code is available at https://github.com/LinLLLL/CRoFT.

Jianping Zhou, Junhao Li, Guanjie Zheng et al.

Missing values are prevalent in multivariate time series, compromising the integrity of analyses and degrading the performance of downstream tasks. Consequently, research has focused on multivariate time series imputation, aiming to accurately impute the missing values based on available observations. A key research question is how to ensure imputation consistency, i.e., intra-consistency between observed and imputed values, and inter-consistency between adjacent windows after imputation. However, previous methods rely solely on the inductive bias of the imputation targets to guide the learning process, ignoring imputation consistency and ultimately resulting in poor performance. Diffusion models, known for their powerful generative abilities, prefer to generate consistent results based on available observations. Therefore, we propose a conditional diffusion model for Multivariate Time Series Consistent Imputation (MTSCI). Specifically, MTSCI employs a contrastive complementary mask to generate dual views during the forward noising process. Then, the intra contrastive loss is calculated to ensure intra-consistency between the imputed and observed values. Meanwhile, MTSCI utilizes a mixup mechanism to incorporate conditional information from adjacent windows during the denoising process, facilitating the inter-consistency between imputed samples. Extensive experiments on multiple real-world datasets demonstrate that our method achieves the state-of-the-art performance on multivariate time series imputation task under different missing scenarios. Code is available at https://github.com/JeremyChou28/MTSCI.

Jiexing Qi, Shuhao Li, Zhixin Guo et al. · meta-ai, mila

Real-world data usually exhibits a long-tailed distribution,with a few frequent labels and a lot of few-shot labels. The study of institution name normalization is a perfect application case showing this phenomenon. There are many institutions worldwide with enormous variations of their names in the publicly available literature. In this work, we first collect a large-scale institution name normalization dataset LoT-insts1, which contains over 25k classes that exhibit a naturally long-tailed distribution. In order to isolate the few-shot and zero-shot learning scenarios from the massive many-shot classes, we construct our test set from four different subsets: many-, medium-, and few-shot sets, as well as a zero-shot open set. We also replicate several important baseline methods on our data, covering a wide range from search-based methods to neural network methods that use the pretrained BERT model. Further, we propose our specially pretrained, BERT-based model that shows better out-of-distribution generalization on few-shot and zero-shot test sets. Compared to other datasets focusing on the long-tailed phenomenon, our dataset has one order of magnitude more training data than the largest existing long-tailed datasets and is naturally long-tailed rather than manually synthesized. We believe it provides an important and different scenario to study this problem. To our best knowledge, this is the first natural language dataset that focuses on long-tailed and open-set classification problems.

Tianhang Zhang, Lin Qiu, Qipeng Guo et al.

Large Language Models (LLMs) have gained significant popularity for their impressive performance across diverse fields. However, LLMs are prone to hallucinate untruthful or nonsensical outputs that fail to meet user expectations in many real-world applications. Existing works for detecting hallucinations in LLMs either rely on external knowledge for reference retrieval or require sampling multiple responses from the LLM for consistency verification, making these methods costly and inefficient. In this paper, we propose a novel reference-free, uncertainty-based method for detecting hallucinations in LLMs. Our approach imitates human focus in factuality checking from three aspects: 1) focus on the most informative and important keywords in the given text; 2) focus on the unreliable tokens in historical context which may lead to a cascade of hallucinations; and 3) focus on the token properties such as token type and token frequency. Experimental results on relevant datasets demonstrate the effectiveness of our proposed method, which achieves state-of-the-art performance across all the evaluation metrics and eliminates the need for additional information.

Qi Li, Yuyang Ren, Xingli Wang et al.

Understanding the origin and influence of the publication's idea is critical to conducting scientific research. However, the proliferation of scientific publications makes it difficult for researchers to sort out the evolution of all relevant literature. To this end, we present IdeaReader, a machine reading system that finds out which papers are most likely to inspire or be influenced by the target publication and summarizes the ideas of these papers in natural language. Specifically, IdeaReader first clusters the references and citations (first-order or higher-order) of the target publication, and the obtained clusters are regarded as the topics that inspire or are influenced by the target publication. It then picks out the important papers from each cluster to extract the skeleton of the idea flow. Finally, IdeaReader automatically generates a literature review of the important papers in each topic. Our system can help researchers gain insight into how scientific ideas flow from the target publication's references to citations by the automatically generated survey and the visualization of idea flow.

Bin Lu, Xiaoying Gan, Ze Zhao et al.

Graph Neural Network (GNN) has demonstrated extraordinary performance in classifying graph properties. However, due to the selection bias of training and testing data (e.g., training on small graphs and testing on large graphs, or training on dense graphs and testing on sparse graphs), distribution deviation is widespread. More importantly, we often observe \emph{hybrid structure distribution shift} of both scale and density, despite of one-sided biased data partition. The spurious correlations over hybrid distribution deviation degrade the performance of previous GNN methods and show large instability among different datasets. To alleviate this problem, we propose \texttt{OOD-GMixup} to jointly manipulate the training distribution with \emph{controllable data augmentation} in metric space. Specifically, we first extract the graph rationales to eliminate the spurious correlations due to irrelevant information. Secondly, we generate virtual samples with perturbation on graph rationale representation domain to obtain potential OOD training samples. Finally, we propose OOD calibration to measure the distribution deviation of virtual samples by leveraging Extreme Value Theory, and further actively control the training distribution by emphasizing the impact of virtual OOD samples. Extensive studies on several real-world datasets on graph classification demonstrate the superiority of our proposed method over state-of-the-art baselines.

Yi Xu, Shuqian Sheng, Bo Xue et al.

Researchers usually come up with new ideas only after thoroughly comprehending vast quantities of literature. The difficulty of this procedure is exacerbated by the fact that the number of academic publications is growing exponentially. In this study, we devise a framework based on concept co-occurrence for academic idea inspiration, which has been integrated into a research assistant system. From our perspective, the fusion of two concepts that co-occur in an academic paper can be regarded as an important way of the emergence of a new idea. We construct evolving concept graphs according to the co-occurrence relationship of concepts from 20 disciplines or topics. Then we design a temporal link prediction method based on masked language model to explore potential connections between different concepts. To verbalize the newly discovered connections, we also utilize the pretrained language model to generate a description of an idea based on a new data structure called co-occurrence citation quintuple. We evaluate our proposed system using both automatic metrics and human assessment. The results demonstrate that our system has broad prospects and can assist researchers in expediting the process of discovering new ideas.

Cheng Deng, Bo Tong, Luoyi Fu et al.

In the research of end-to-end dialogue systems, using real-world knowledge to generate natural, fluent, and human-like utterances with correct answers is crucial. However, domain-specific conversational dialogue systems may be incoherent and introduce erroneous external information to answer questions due to the out-of-vocabulary issue or the wrong knowledge from the parameters of the neural network. In this work, we propose PK-Chat, a Pointer network guided Knowledge-driven generative dialogue model, incorporating a unified pretrained language model and a pointer network over knowledge graphs. The words generated by PK-Chat in the dialogue are derived from the prediction of word lists and the direct prediction of the external knowledge graph knowledge. Moreover, based on the PK-Chat, a dialogue system is built for academic scenarios in the case of geosciences. Finally, an academic dialogue benchmark is constructed to evaluate the quality of dialogue systems in academic scenarios and the source code is available online.

Yiming Liu, Bin Lu, Meng Jin et al.

Marine lead (Pb) and its isotopes are critical tracers for ocean circulation and anthropogenic pollution, yet in-situ observations remain costly and sparse. While vast historical records exist, they lie buried within the unstructured content of academic papers, creating "data silos" inaccessible to comprehensive analysis. Manual extraction is unscalable, while general-purpose Large Language Models (LLMs) lack the necessary domain-specific knowledge, leading to hallucinations and scientifically invalid outputs. To address this, we introduce an expert-guided adaptation approach that enables LLMs to perform rigorous scientific data extraction without fine-tuning. We operationalize this approach through Compass, an LLM agent framework enhanced by a Knowledge Tree co-designed with marine scientists, which decomposes complex tasks into verifiable steps, guiding the agent's reasoning to ensure scientific validity. Deploying Compass across a corpus of over 230,000 relevant open-access papers, we successfully extract 3,751 previously unincorporated Pb records. This effort establishes the largest integrated marine Pb database to date. Beyond standard metrics, Compass demonstrates superior reliability through multi-layered validation, achieving 92% accuracy as confirmed through expert manual verification. The newly integrated data expand coverage in previously under-sampled regions such as the East China Sea and the Southern Ocean, providing an enriched data foundation for future scientific discoveries. We release an interactive visualization platform to facilitate open scientific access. Our work demonstrates that expert-guided agents can effectively bridge the gap between general-purpose LLMs and high-stakes scientific domains, enabling scalable data discovery in geosciences.

Yi Xu, Bo Xue, Shuqian Sheng et al.

In the ever-expanding landscape of academic research, the proliferation of ideas presents a significant challenge for researchers: discerning valuable ideas from the less impactful ones. The ability to efficiently evaluate the potential of these ideas is crucial for the advancement of science and paper review. In this work, we focus on idea assessment, which aims to leverage the knowledge of large language models to assess the merit of scientific ideas. First, we investigate existing text evaluation research and define the problem of quantitative evaluation of ideas. Second, we curate and release a benchmark dataset from nearly four thousand manuscript papers with full texts, meticulously designed to train and evaluate the performance of different approaches to this task. Third, we establish a framework for quantifying the value of ideas by employing representations in a specific layer of large language models. Experimental results show that the scores predicted by our method are relatively consistent with those of humans. Our findings suggest that the representations of large language models hold more potential in quantifying the value of ideas than their generative outputs, demonstrating a promising avenue for automating the idea assessment process.

Shao Zhang, Yuting Jia, Hui Xu et al.

Constructing a comprehensive, accurate, and useful scientific knowledge base is crucial for human researchers synthesizing scientific knowledge and for enabling Al-driven scientific discovery. However, the current process is difficult, error-prone, and laborious due to (1) the enormous amount of scientific literature available; (2) the highly-specialized scientific domains; (3) the diverse modalities of information (text, figure, table); and, (4) the silos of scientific knowledge in different publications with inconsistent formats and structures. Informed by a formative study and iterated with participatory design workshops, we designed and developed KnowledgeShovel, an Al-in-the-Loop document annotation system for researchers to construct scientific knowledge bases. The design of KnowledgeShovel introduces a multi-step multi-modal human-AI collaboration pipeline that aligns with users' existing workflows to improve data accuracy while reducing the human burden. A follow-up user evaluation with 7 geoscience researchers shows that KnowledgeShovel can enable efficient construction of scientific knowledge bases with satisfactory accuracy.

Shiqing Gao, Jiaxin Ding, Luoyi Fu et al.

In Constrained Reinforcement Learning (CRL), agents explore the environment to learn the optimal policy while satisfying constraints. The penalty function method has recently been studied as an effective approach for handling constraints, which imposes constraints penalties on the objective to transform the constrained problem into an unconstrained one. However, it is challenging to choose appropriate penalties that balance policy performance and constraint satisfaction efficiently. In this paper, we propose a theoretically guaranteed penalty function method, Exterior Penalty Policy Optimization (EPO), with adaptive penalties generated by a Penalty Metric Network (PMN). PMN responds appropriately to varying degrees of constraint violations, enabling efficient constraint satisfaction and safe exploration. We theoretically prove that EPO consistently improves constraint satisfaction with a convergence guarantee. We propose a new surrogate function and provide worst-case constraint violation and approximation error. In practice, we propose an effective smooth penalty function, which can be easily implemented with a first-order optimizer. Extensive experiments are conducted, showing that EPO outperforms the baselines in terms of policy performance and constraint satisfaction with a stable training process, particularly on complex tasks.

Cheng Deng, Jiaxin Ding, Luoyi Fu et al.

The pandemic of COVID-19 has inspired extensive works across different research fields. Existing literature and knowledge platforms on COVID-19 only focus on collecting papers on biology and medicine, neglecting the interdisciplinary efforts, which hurdles knowledge sharing and research collaborations between fields to address the problem. Studying interdisciplinary researches requires effective paper category classification and efficient cross-domain knowledge extraction and integration. In this work, we propose Covidia, COVID-19 interdisciplinary academic knowledge graph to bridge the gap between knowledge of COVID-19 on different domains. We design frameworks based on contrastive learning for disciplinary classification, and propose a new academic knowledge graph scheme for entity extraction, relation classification and ontology management in accordance with interdisciplinary researches. Based on Covidia, we also establish knowledge discovery benchmarks for finding COVID-19 research communities and predicting potential links.

Tingyan Ma, Wei Liu, Bin Lu et al.

The explosive growth of data fuels data-driven research, facilitating progress across diverse domains. The FAIR principles emerge as a guiding standard, aiming to enhance the findability, accessibility, interoperability, and reusability of data. However, current efforts primarily focus on manual data FAIRification, which can only handle targeted data and lack efficiency. To address this issue, we propose AutoFAIR, an architecture designed to enhance data FAIRness automately. Firstly, We align each data and metadata operation with specific FAIR indicators to guide machine-executable actions. Then, We utilize Web Reader to automatically extract metadata based on language models, even in the absence of structured data webpage schemas. Subsequently, FAIR Alignment is employed to make metadata comply with FAIR principles by ontology guidance and semantic matching. Finally, by applying AutoFAIR to various data, especially in the field of mountain hazards, we observe significant improvements in findability, accessibility, interoperability, and reusability of data. The FAIRness scores before and after applying AutoFAIR indicate enhanced data value.

Yi Xu, Junjie Ou, Hui Xu et al.

Temporal knowledge graphs, representing the dynamic relationships and interactions between entities over time, have been identified as a promising approach for event forecasting. However, a limitation of most temporal knowledge graph reasoning methods is their heavy reliance on the recurrence or periodicity of events, which brings challenges to inferring future events related to entities that lack historical interaction. In fact, the current state of affairs is often the result of a combination of historical information and underlying factors that are not directly observable. To this end, we investigate the limits of historical information for temporal knowledge graph extrapolation and propose a new event forecasting model called Contrastive Event Network (CENET) based on a novel training framework of historical contrastive learning. CENET learns both the historical and non-historical dependency to distinguish the most potential entities that best match the given query. Simultaneously, by launching contrastive learning, it trains representations of queries to probe whether the current moment is more dependent on historical or non-historical events. These representations further help train a binary classifier, whose output is a boolean mask, indicating the related entities in the search space. During the inference process, CENET employs a mask-based strategy to generate the final results. We evaluate our proposed model on five benchmark graphs. The results demonstrate that CENET significantly outperforms all existing methods in most metrics, achieving at least 8.3% relative improvement of Hits@1 over previous state-of-the-art baselines on event-based datasets.

Zhouhan Lin, Cheng Deng, Le Zhou et al.

Large language models (LLMs) have achieved huge success for their general knowledge and ability to solve a wide spectrum of tasks in natural language processing (NLP). Due to their impressive abilities, LLMs have shed light on potential inter-discipline applications to foster scientific discoveries of a specific domain by using artificial intelligence (AI for science, AI4S). In the meantime, utilizing NLP techniques in geoscience research and practice is wide and convoluted, contributing from knowledge extraction and document classification to question answering and knowledge discovery. In this work, we take the initial step to leverage LLM for science, through a rather straightforward approach. We try to specialize an LLM into geoscience, by further pre-training the model with a vast amount of texts in geoscience, as well as supervised fine-tuning (SFT) the resulting model with our custom collected instruction tuning dataset. These efforts result in a model GeoGalactica consisting of 30 billion parameters. To our best knowledge, it is the largest language model for the geoscience domain. More specifically, GeoGalactica is from further pre-training of Galactica. We train GeoGalactica over a geoscience-related text corpus containing 65 billion tokens, preserving as the largest geoscience-specific text corpus. Then we fine-tune the model with 1 million pairs of instruction-tuning data consisting of questions that demand professional geoscience knowledge to answer. In this technical report, we will illustrate in detail all aspects of GeoGalactica, including data collection, data cleaning, base model selection, pre-training, SFT, and evaluation. We open-source our data curation tools and the checkpoints of GeoGalactica during the first 3/4 of pre-training.

Fan Wu, Jinling Gao, Lanqing Hong et al.

In this paper, we focus on a realistic yet challenging task, Single Domain Generalization Object Detection (S-DGOD), where only one source domain's data can be used for training object detectors, but have to generalize multiple distinct target domains. In S-DGOD, both high-capacity fitting and generalization abilities are needed due to the task's complexity. Differentiable Neural Architecture Search (NAS) is known for its high capacity for complex data fitting and we propose to leverage Differentiable NAS to solve S-DGOD. However, it may confront severe over-fitting issues due to the feature imbalance phenomenon, where parameters optimized by gradient descent are biased to learn from the easy-to-learn features, which are usually non-causal and spuriously correlated to ground truth labels, such as the features of background in object detection data. Consequently, this leads to serious performance degradation, especially in generalizing to unseen target domains with huge domain gaps between the source domain and target domains. To address this issue, we propose the Generalizable loss (G-loss), which is an OoD-aware objective, preventing NAS from over-fitting by using gradient descent to optimize parameters not only on a subset of easy-to-learn features but also the remaining predictive features for generalization, and the overall framework is named G-NAS. Experimental results on the S-DGOD urban-scene datasets demonstrate that the proposed G-NAS achieves SOTA performance compared to baseline methods. Codes are available at https://github.com/wufan-cse/G-NAS.

Tianyu Zhang, Chengbin Hou, Rui Jiang et al.

Node Importance Estimation (NIE) is a task of inferring importance scores of the nodes in a graph. Due to the availability of richer data and knowledge, recent research interests of NIE have been dedicating to knowledge graphs for predicting future or missing node importance scores. Existing state-of-the-art NIE methods train the model by available labels, and they consider every interested node equally before training. However, the nodes with higher importance often require or receive more attention in real-world scenarios, e.g., people may care more about the movies or webpages with higher importance. To this end, we introduce Label Informed ContrAstive Pretraining (LICAP) to the NIE problem for being better aware of the nodes with high importance scores. Specifically, LICAP is a novel type of contrastive learning framework that aims to fully utilize the continuous labels to generate contrastive samples for pretraining embeddings. Considering the NIE problem, LICAP adopts a novel sampling strategy called top nodes preferred hierarchical sampling to first group all interested nodes into a top bin and a non-top bin based on node importance scores, and then divide the nodes within top bin into several finer bins also based on the scores. The contrastive samples are generated from those bins, and are then used to pretrain node embeddings of knowledge graphs via a newly proposed Predicate-aware Graph Attention Networks (PreGAT), so as to better separate the top nodes from non-top nodes, and distinguish the top nodes within top bin by keeping the relative order among finer bins. Extensive experiments demonstrate that the LICAP pretrained embeddings can further boost the performance of existing NIE methods and achieve the new state-of-the-art performance regarding both regression and ranking metrics. The source code for reproducibility is available at https://github.com/zhangtia16/LICAP

Lin Zhu, Xinbing Wang, Chenghu Zhou et al.

Recent advances in large pre-trained models showed promising results in few-shot learning. However, their generalization ability on two-dimensional Out-of-Distribution (OoD) data, i.e., correlation shift and diversity shift, has not been thoroughly investigated. Researches have shown that even with a significant amount of training data, few methods can achieve better performance than the standard empirical risk minimization method (ERM) in OoD generalization. This few-shot OoD generalization dilemma emerges as a challenging direction in deep neural network generalization research, where the performance suffers from overfitting on few-shot examples and OoD generalization errors. In this paper, leveraging a broader supervision source, we explore a novel Bayesian cross-modal image-text alignment learning method (Bayes-CAL) to address this issue. Specifically, the model is designed as only text representations are fine-tuned via a Bayesian modelling approach with gradient orthogonalization loss and invariant risk minimization (IRM) loss. The Bayesian approach is essentially introduced to avoid overfitting the base classes observed during training and improve generalization to broader unseen classes. The dedicated loss is introduced to achieve better image-text alignment by disentangling the causal and non-casual parts of image features. Numerical experiments demonstrate that Bayes-CAL achieved state-of-the-art OoD generalization performances on two-dimensional distribution shifts. Moreover, compared with CLIP-like models, Bayes-CAL yields more stable generalization performances on unseen classes. Our code is available at https://github.com/LinLLLL/BayesCAL.

Xilong Zhao, Siyuan Bian, Yaoyun Zhang et al.

Out-of-distribution (OOD) generalization has long been a challenging problem that remains largely unsolved. Gaussian processes (GP), as popular probabilistic model classes, especially in the small data regime, presume strong OOD generalization abilities. Surprisingly, their OOD generalization abilities have been under-explored before compared with other lines of GP research. In this paper, we identify that GP is not free from the problem and propose a domain invariant learning algorithm for Gaussian processes (DIL-GP) with a min-max optimization on the likelihood. DIL-GP discovers the heterogeneity in the data and forces invariance across partitioned subsets of data. We further extend the DIL-GP to improve Bayesian optimization's adaptability on changing environments. Numerical experiments demonstrate the superiority of DIL-GP for predictions on several synthetic and real-world datasets. We further demonstrate the effectiveness of the DIL-GP Bayesian optimization method on a PID parameters tuning experiment for a quadrotor. The full version and source code are available at: https://github.com/Billzxl/DIL-GP.

Chensheng Peng, Zhaoyu Zeng, Jinling Gao et al. · berkeley

Multiple object tracking is a critical task in autonomous driving. Existing works primarily focus on the heuristic design of neural networks to obtain high accuracy. As tracking accuracy improves, however, neural networks become increasingly complex, posing challenges for their practical application in real driving scenarios due to the high level of latency. In this paper, we explore the use of the neural architecture search (NAS) methods to search for efficient architectures for tracking, aiming for low real-time latency while maintaining relatively high accuracy. Another challenge for object tracking is the unreliability of a single sensor, therefore, we propose a multi-modal framework to improve the robustness. Experiments demonstrate that our algorithm can run on edge devices within lower latency constraints, thus greatly reducing the computational requirements for multi-modal object tracking while keeping lower latency.

Shuqian Sheng, Yi Xu, Luoyi Fu et al.

The majority of automatic metrics for evaluating NLG systems are reference-based. However, the challenge of collecting human annotation results in a lack of reliable references in numerous application scenarios. Despite recent advancements in reference-free metrics, it has not been well understood when and where they can be used as an alternative to reference-based metrics. In this study, by employing diverse analytical approaches, we comprehensively assess the performance of both metrics across a wide range of NLG tasks, encompassing eight datasets and eight evaluation models. Based on solid experiments, the results show that reference-free metrics exhibit a higher correlation with human judgment and greater sensitivity to deficiencies in language quality. However, their effectiveness varies across tasks and is influenced by the quality of candidate texts. Therefore, it's important to assess the performance of reference-free metrics before applying them to a new task, especially when inputs are in uncommon form or when the answer space is highly variable. Our study can provide insight into the appropriate application of automatic metrics and the impact of metric choice on evaluation performance.

Zhixin Guo, Jianping Zhou, Jiexing Qi et al.

The sheer volume of scientific experimental results and complex technical statements, often presented in tabular formats, presents a formidable barrier to individuals acquiring preferred information. The realms of scientific reasoning and content generation that adhere to user preferences encounter distinct challenges. In this work, we present a new task for generating fluent and logical descriptions that match user preferences over scientific tabular data, aiming to automate scientific document analysis. To facilitate research in this direction, we construct a new challenging dataset CTRLSciTab consisting of table-description pairs extracted from the scientific literature, with highlighted cells and corresponding domain-specific knowledge base. We evaluated popular pre-trained language models to establish a baseline and proposed a novel architecture outperforming competing approaches. The results showed that large models struggle to produce accurate content that aligns with user preferences. As the first of its kind, our work should motivate further research in scientific domains.

Hang Yin, Liyao Xiang, Dong Ding et al.

We investigate the entity alignment (EA) problem with unlabeled dangling cases, meaning that partial entities have no counterparts in the other knowledge graph (KG), and this type of entity remains unlabeled. To address this challenge, we propose the framework \textit{Lambda} for dangling detection and then entity alignment. Lambda features a GNN-based encoder called KEESA with spectral contrastive learning for EA and a positive-unlabeled learning algorithm for dangling detection called iPULE. iPULE offers theoretical guarantees of unbiasedness, uniform deviation bounds, and convergence. Experimental results demonstrate that each component contributes to overall performances that are superior to baselines, even when baselines additionally exploit 30\% of dangling entities labeled for training.

Xinbing Wang, Luoyi Fu, Xiaoying Gan et al.

The exponential growth of scientific literature requires effective management and extraction of valuable insights. While existing scientific search engines excel at delivering search results based on relational databases, they often neglect the analysis of collaborations between scientific entities and the evolution of ideas, as well as the in-depth analysis of content within scientific publications. The representation of heterogeneous graphs and the effective measurement, analysis, and mining of such graphs pose significant challenges. To address these challenges, we present AceMap, an academic system designed for knowledge discovery through academic graph. We present advanced database construction techniques to build the comprehensive AceMap database with large-scale academic entities that contain rich visual, textual, and numerical information. AceMap also employs innovative visualization, quantification, and analysis methods to explore associations and logical relationships among academic entities. AceMap introduces large-scale academic network visualization techniques centered on nebular graphs, providing a comprehensive view of academic networks from multiple perspectives. In addition, AceMap proposes a unified metric based on structural entropy to quantitatively measure the knowledge content of different academic entities. Moreover, AceMap provides advanced analysis capabilities, including tracing the evolution of academic ideas through citation relationships and concept co-occurrence, and generating concise summaries informed by this evolutionary process. In addition, AceMap uses machine reading methods to generate potential new ideas at the intersection of different fields. Exploring the integration of large language models and knowledge graphs is a promising direction for future research in idea evolution. Please visit \url{https://www.acemap.info} for further exploration.

Shiming Wang, Zhe Ji, Liyao Xiang et al.

With the increased capabilities at the edge (e.g., mobile device) and more stringent privacy requirement, it becomes a recent trend for deep learning-enabled applications to pre-process sensitive raw data at the edge and transmit the features to the backend cloud for further processing. A typical application is to run machine learning (ML) services on facial images collected from different individuals. To prevent identity theft, conventional methods commonly rely on an adversarial game-based approach to shed the identity information from the feature. However, such methods can not defend against adaptive attacks, in which an attacker takes a countermove against a known defence strategy. We propose Crafter, a feature crafting mechanism deployed at the edge, to protect the identity information from adaptive model inversion attacks while ensuring the ML tasks are properly carried out in the cloud. The key defence strategy is to mislead the attacker to a non-private prior from which the attacker gains little about the private identity. In this case, the crafted features act like poison training samples for attackers with adaptive model updates. Experimental results indicate that Crafter successfully defends both basic and possible adaptive attacks, which can not be achieved by state-of-the-art adversarial game-based methods.

Bin Lu, Tingyan Ma, Xiaoying Gan et al.

Graph Neural Networks (GNNs) are widely deployed in vast fields, but they often struggle to maintain accurate representations as graphs evolve. We theoretically establish a lower bound, proving that under mild conditions, representation distortion inevitably occurs over time. To estimate the temporal distortion without human annotation after deployment, one naive approach is to pre-train a recurrent model (e.g., RNN) before deployment and use this model afterwards, but the estimation is far from satisfactory. In this paper, we analyze the representation distortion from an information theory perspective, and attribute it primarily to inaccurate feature extraction during evolution. Consequently, we introduce Smart, a straightforward and effective baseline enhanced by an adaptive feature extractor through self-supervised graph reconstruction. In synthetic random graphs, we further refine the former lower bound to show the inevitable distortion over time and empirically observe that Smart achieves good estimation performance. Moreover, we observe that Smart consistently shows outstanding generalization estimation on four real-world evolving graphs. The ablation studies underscore the necessity of graph reconstruction. For example, on OGB-arXiv dataset, the estimation metric MAPE deteriorates from 2.19% to 8.00% without reconstruction.

Yunchong Song, Siyuan Huang, Xinbing Wang et al.

Graph pooling compresses graph information into a compact representation. State-of-the-art graph pooling methods follow a hierarchical approach, which reduces the graph size step-by-step. These methods must balance memory efficiency with preserving node information, depending on whether they use node dropping or node clustering. Additionally, fixed pooling ratios or numbers of pooling layers are predefined for all graphs, which prevents personalized pooling structures from being captured for each individual graph. In this work, inspired by bottom-up grammar induction, we propose an efficient graph parsing algorithm to infer the pooling structure, which then drives graph pooling. The resulting Graph Parsing Network (GPN) adaptively learns personalized pooling structure for each individual graph. GPN benefits from the discrete assignments generated by the graph parsing algorithm, allowing good memory efficiency while preserving node information intact. Experimental results on standard benchmarks demonstrate that GPN outperforms state-of-the-art graph pooling methods in graph classification tasks while being able to achieve competitive performance in node classification tasks. We also conduct a graph reconstruction task to show GPN's ability to preserve node information and measure both memory and time efficiency through relevant tests.

Zhengyu Wu, Xunkai Li, Yinlin Zhu et al.

In recent years, Federated Graph Learning (FGL) has gained significant attention for its distributed training capabilities in graph-based machine intelligence applications, mitigating data silos while offering a new perspective for privacy-preserve large-scale graph learning. However, multi-level FGL heterogeneity presents various client-server collaboration challenges: (1) Model-level: The variation in clients for expected performance and scalability necessitates the deployment of heterogeneous models. Unfortunately, most FGL methods rigidly demand identical client models due to the direct model weight aggregation on the server. (2) Data-level: The intricate nature of graphs, marked by the entanglement of node profiles and topology, poses an optimization dilemma. This implies that models obtained by federated training struggle to achieve superior performance. (3) Communication-level: Some FGL methods attempt to increase message sharing among clients or between clients and the server to improve training, which inevitably leads to high communication costs. In this paper, we propose FedPG as a general prototype-guided optimization method for the above multi-level FGL heterogeneity. Specifically, on the client side, we integrate multi-level topology-aware prototypes to capture local graph semantics. Subsequently, on the server side, leveraging the uploaded prototypes, we employ topology-guided contrastive learning and personalized technology to tailor global prototypes for each client, broadcasting them to improve local training. Experiments demonstrate that FedPG outperforms SOTA baselines by an average of 3.57\% in accuracy while reducing communication costs by 168x.

Zhengyu Wu, Yinlin Zhu, Xunkai Li et al.

Foundation models have shown remarkable cross-domain generalization in language and vision, inspiring the development of graph foundation models (GFMs). However, existing GFMs typically assume centralized access to multi-domain graphs, which is often infeasible due to privacy and institutional constraints. Federated Graph Foundation Models (FedGFMs) address this limitation, but their effectiveness fundamentally hinges on constructing a robust global codebook that achieves intra-domain coherence by consolidating mutually reinforcing semantics within each domain, while also maintaining inter-domain diversity by retaining heterogeneous knowledge across domains. To this end, we propose FedBook, a unified federated graph foundation codebook that systematically aggregates clients' local codebooks during server-side federated pre-training. FedBook follows a two-phase process: (1) Intra-domain Collaboration, where low-frequency tokens are refined by referencing more semantically reliable high-frequency tokens across clients to enhance domain-specific coherence; and (2) Inter-domain Integration, where client contributions are weighted by the semantic distinctiveness of their codebooks during the aggregation of the global GFM, thereby preserving cross-domain diversity. Extensive experiments on 8 benchmarks across multiple domains and tasks demonstrate that FedBook consistently outperforms 21 baselines, including isolated supervised learning, FL/FGL, federated adaptations of centralized GFMs, and FedGFM techniques.

Zhengyu Wu, Boyang Pang, Xunkai Li et al.

Federated Graph Learning (FGL) enables privacy-preserving, distributed training of graph neural networks without sharing raw data. Among its approaches, subgraph-FL has become the dominant paradigm, with most work focused on improving overall node classification accuracy. However, these methods often overlook fairness due to the complexity of node features, labels, and graph structures. In particular, they perform poorly on nodes with disadvantaged properties, such as being in the minority class within subgraphs or having heterophilous connections (neighbors with dissimilar labels or misleading features). This reveals a critical issue: high accuracy can mask degraded performance on structurally or semantically marginalized nodes. To address this, we advocate for two fairness goals: (1) improving representation of minority class nodes for class-wise fairness and (2) mitigating topological bias from heterophilous connections for topology-aware fairness. We propose FairFGL, a novel framework that enhances fairness through fine-grained graph mining and collaborative learning. On the client side, the History-Preserving Module prevents overfitting to dominant local classes, while the Majority Alignment Module refines representations of heterophilous majority-class nodes. The Gradient Modification Module transfers minority-class knowledge from structurally favorable clients to improve fairness. On the server side, FairFGL uploads only the most influenced subset of parameters to reduce communication costs and better reflect local distributions. A cluster-based aggregation strategy reconciles conflicting updates and curbs global majority dominance . Extensive evaluations on eight benchmarks show FairFGL significantly improves minority-group performance , achieving up to a 22.62 percent Macro-F1 gain while enhancing convergence over state-of-the-art baselines.

Lin Zhu, Xinbing Wang, Chenghu Zhou et al.

Given a style-reference image as the additional image condition, text-to-image diffusion models have demonstrated impressive capabilities in generating images that possess the content of text prompts while adopting the visual style of the reference image. However, current state-of-the-art methods often struggle to disentangle content and style from style-reference images, leading to issues such as content leakages. To address this issue, we propose a masking-based method that efficiently decouples content from style without the need of tuning any model parameters. By simply masking specific elements in the style reference's image features, we uncover a critical yet under-explored principle: guiding with appropriately-selected fewer conditions (e.g., dropping several image feature elements) can efficiently avoid unwanted content flowing into the diffusion models, enhancing the style transfer performances of text-to-image diffusion models. In this paper, we validate this finding both theoretically and experimentally. Extensive experiments across various styles demonstrate the effectiveness of our masking-based method and support our theoretical results.

Jianping Zhou, Bin Lu, Zhanyu Liu et al.

Due to detector malfunctions and communication failures, missing data is ubiquitous during the collection of traffic data. Therefore, it is of vital importance to impute the missing values to facilitate data analysis and decision-making for Intelligent Transportation System (ITS). However, existing imputation methods generally perform zero pre-filling techniques to initialize missing values, introducing inevitable noises. Moreover, we observe prevalent over-smoothing interpolations, falling short in revealing the intrinsic spatio-temporal correlations of incomplete traffic data. To this end, we propose Mask-Aware Graph imputation Network: MagiNet. Our method designs an adaptive mask spatio-temporal encoder to learn the latent representations of incomplete data, eliminating the reliance on pre-filling missing values. Furthermore, we devise a spatio-temporal decoder that stacks multiple blocks to capture the inherent spatial and temporal dependencies within incomplete traffic data, alleviating over-smoothing imputation. Extensive experiments demonstrate that our method outperforms state-of-the-art imputation methods on five real-world traffic datasets, yielding an average improvement of 4.31% in RMSE and 3.72% in MAPE.

Kailong Wu, Yule Xie, Jiaxin Ding et al.

Graph neural networks (GNN) have achieved remarkable success in a wide range of tasks by encoding features combined with topology to create effective representations. However, the fundamental problem of understanding and analyzing how graph topology influences the performance of learning models on downstream tasks has not yet been well understood. In this paper, we propose a metric, TopoInf, which characterizes the influence of graph topology by measuring the level of compatibility between the topological information of graph data and downstream task objectives. We provide analysis based on the decoupled GNNs on the contextual stochastic block model to demonstrate the effectiveness of the metric. Through extensive experiments, we demonstrate that TopoInf is an effective metric for measuring topological influence on corresponding tasks and can be further leveraged to enhance graph learning.

Yichen Zhu, Jian Yuan, Bo Jiang et al.

Data with missing values is ubiquitous in many applications. Recent years have witnessed increasing attention on prediction with only incomplete data consisting of observed features and a mask that indicates the missing pattern. Existing methods assume that the training and testing distributions are the same, which may be violated in real-world scenarios. In this paper, we consider prediction with incomplete data in the presence of distribution shift. We focus on the case where the underlying joint distribution of complete features and label is invariant, but the missing pattern, i.e., mask distribution may shift agnostically between training and testing. To achieve generalization, we leverage the observation that for each mask, there is an invariant optimal predictor. To avoid the exponential explosion when learning them separately, we approximate the optimal predictors jointly using a double parameterization technique. This has the undesirable side effect of allowing the learned predictors to rely on the intra-mask correlation and that between features and mask. We perform decorrelation to minimize this effect. Combining the techniques above, we propose a novel prediction method called StableMiss. Extensive experiments on both synthetic and real-world datasets show that StableMiss is robust and outperforms state-of-the-art methods under agnostic mask distribution shift.

Fangyu Liu, Shuaipeng Li, Liqiang Zhang et al.

Semantic parsing of large-scale 3D point clouds is an important research topic in computer vision and remote sensing fields. Most existing approaches utilize hand-crafted features for each modality independently and combine them in a heuristic manner. They often fail to consider the consistency and complementary information among features adequately, which makes them difficult to capture high-level semantic structures. The features learned by most of the current deep learning methods can obtain high-quality image classification results. However, these methods are hard to be applied to recognize 3D point clouds due to unorganized distribution and various point density of data. In this paper, we propose a 3DCNN-DQN-RNN method which fuses the 3D convolutional neural network (CNN), Deep Q-Network (DQN) and Residual recurrent neural network (RNN) for an efficient semantic parsing of large-scale 3D point clouds. In our method, an eye window under control of the 3D CNN and DQN can localize and segment the points of the object class efficiently. The 3D CNN and Residual RNN further extract robust and discriminative features of the points in the eye window, and thus greatly enhance the parsing accuracy of large-scale point clouds. Our method provides an automatic process that maps the raw data to the classification results. It also integrates object localization, segmentation and classification into one framework. Experimental results demonstrate that the proposed method outperforms the state-of-the-art point cloud classification methods.