Xinbing Wang

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.

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.

Yusheng Huang, Jiexing Qi, Xinbing Wang et al. · meta-ai, mila

Various tasks are reformulated as multi-label classification problems, in which the binary cross-entropy (BCE) loss is frequently utilized for optimizing well-designed models. However, the vanilla BCE loss cannot be tailored for diverse tasks, resulting in a suboptimal performance for different models. Besides, the imbalance between redundant negative samples and rare positive samples could degrade the model performance. In this paper, we propose an effective Asymmetric Polynomial Loss (APL) to mitigate the above issues. Specifically, we first perform Taylor expansion on BCE loss. Then we ameliorate the coefficients of polynomial functions. We further employ the asymmetric focusing mechanism to decouple the gradient contribution from the negative and positive samples. Moreover, we validate that the polynomial coefficients can recalibrate the asymmetric focusing hyperparameters. Experiments on relation extraction, text classification, and image classification show that our APL loss can consistently improve performance without extra training burden.

Ze Zhao, Yuhui He, Lyuwen Wu et al.

Reasoning on Temporal Knowledge Graphs (TKGs) is essential for predicting future events and time-aware facts. While existing methods are effective at capturing relational dynamics, their performance is limited by a closed-world assumption, which fails to account for emerging entities not present in the training. Notably, these entities continuously join the network without historical interactions. Empirical study reveals that emerging entities are widespread in TKGs, comprising roughly 25\% of all entities. The absence of historical interactions of these entities leads to significant performance degradation in reasoning tasks. Whereas, we observe that entities with semantic similarities often exhibit comparable interaction histories, suggesting the presence of transferable temporal patterns. Inspired by this insight, we propose TransFIR (Transferable Inductive Reasoning), a novel framework that leverages historical interaction sequences from semantically similar known entities to support inductive reasoning. Specifically, we propose a codebook-based classifier that categorizes emerging entities into latent semantic clusters, allowing them to adopt reasoning patterns from similar entities. Experimental results demonstrate that TransFIR outperforms all baselines in reasoning on emerging entities, achieving an average improvement of 28.6% in Mean Reciprocal Rank (MRR) across multiple datasets. The implementations are available at https://github.com/zhaodazhuang2333/TransFIR.

Bin Lu, Xiaoying Gan, Weinan Zhang et al.

Spatio-temporal graph learning is a key method for urban computing tasks, such as traffic flow, taxi demand and air quality forecasting. Due to the high cost of data collection, some developing cities have few available data, which makes it infeasible to train a well-performed model. To address this challenge, cross-city knowledge transfer has shown its promise, where the model learned from data-sufficient cities is leveraged to benefit the learning process of data-scarce cities. However, the spatio-temporal graphs among different cities show irregular structures and varied features, which limits the feasibility of existing Few-Shot Learning (\emph{FSL}) methods. Therefore, we propose a model-agnostic few-shot learning framework for spatio-temporal graph called ST-GFSL. Specifically, to enhance feature extraction by transfering cross-city knowledge, ST-GFSL proposes to generate non-shared parameters based on node-level meta knowledge. The nodes in target city transfer the knowledge via parameter matching, retrieving from similar spatio-temporal characteristics. Furthermore, we propose to reconstruct the graph structure during meta-learning. The graph reconstruction loss is defined to guide structure-aware learning, avoiding structure deviation among different datasets. We conduct comprehensive experiments on four traffic speed prediction benchmarks and the results demonstrate the effectiveness of ST-GFSL compared with state-of-the-art methods.

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.

Boyi Zeng, Yiqin Hao, Zitong Wang et al.

Self-attention selects information freely across the sequence, but across depth, Transformers merely add each layer's output to the residual stream, so later layers cannot selectively reuse earlier-layer representations. Recent cross-layer methods improve this flow but operate on hidden states outside attention, adding state beyond the key-value cache at inference--a cost that becomes increasingly salient as modern LLMs compress the cache with grouped-query and multi-head latent attention. We introduce Depth-Attention, which performs this selection inside the attention module itself: before a layer attends over the sequence, its query attends over the keys of earlier layers at the same token position and mixes their values into the value that self-attention then reads. Because Depth-Attention reuses the standard attention queries, keys, and value-cache slots, storing depth-mixed values in place of the original values, it adds no parameters and introduces no persistent inference state beyond the standard key-value cache--the same cache size as a vanilla decoder and less than hidden-state-based cross-layer methods. On Qwen3-style decoders at 1.5B and 3B parameters, Depth-Attention attains the lowest perplexity and the highest average downstream accuracy, improving over the vanilla Transformer by up to 2.3 accuracy points and surpassing strong cross-layer baselines in perplexity and average accuracy, while adding under 0.01% extra arithmetic FLOPs and no additional persistent inference state. The gains hold from 360M to 3B parameters and extend to looped Transformers.

Yi Xu, Luoyi Fu, Zhouhan Lin et al. · meta-ai, mila

Graph-to-text (G2T) generation and text-to-graph (T2G) triple extraction are two essential tasks for constructing and applying knowledge graphs. Existing unsupervised approaches turn out to be suitable candidates for jointly learning the two tasks due to their avoidance of using graph-text parallel data. However, they are composed of multiple modules and still require both entity information and relation type in the training process. To this end, we propose INFINITY, a simple yet effective unsupervised approach that does not require external annotation tools or additional parallel information. It achieves fully unsupervised graph-text mutual conversion for the first time. Specifically, INFINITY treats both G2T and T2G as a bidirectional sequence generation task by fine-tuning only one pretrained seq2seq model. A novel back-translation-based framework is then designed to automatically generate continuous synthetic parallel data. To obtain reasonable graph sequences with structural information from source texts, INFINITY employs reward-based training loss by leveraging the advantage of reward augmented maximum likelihood. As a fully unsupervised framework, INFINITY is empirically verified to outperform state-of-the-art baselines for G2T and T2G tasks.

Zhixin Guo, Minyxuan Yan, Jiexing Qi et al. · meta-ai, mila

Pre-trained language models (PLM) have achieved remarkable advancement in table-to-text generation tasks. However, the lack of labeled domain-specific knowledge and the topology gap between tabular data and text make it difficult for PLMs to yield faithful text. Low-resource generation likewise faces unique challenges in this domain. Inspired by how humans descript tabular data with prior knowledge, we suggest a new framework: PromptMize, which targets table-to-text generation under few-shot settings. The design of our framework consists of two aspects: a prompt planner and a knowledge adapter. The prompt planner aims to generate a prompt signal that provides instance guidance for PLMs to bridge the topology gap between tabular data and text. Moreover, the knowledge adapter memorizes domain-specific knowledge from the unlabelled corpus to supply essential information during generation. Extensive experiments and analyses are investigated on three open domain few-shot NLG datasets: human, song, and book. Compared with previous state-of-the-art approaches, our model achieves remarkable performance in generating quality as judged by human and automatic evaluations.

Shengyuan Hou, Jushi Kai, Haotian Xue et al. · gatech, meta-ai

Recent works have revealed that Transformers are implicitly learning the syntactic information in its lower layers from data, albeit is highly dependent on the quality and scale of the training data. However, learning syntactic information from data is not necessary if we can leverage an external syntactic parser, which provides better parsing quality with well-defined syntactic structures. This could potentially improve Transformer's performance and sample efficiency. In this work, we propose a syntax-guided localized self-attention for Transformer that allows directly incorporating grammar structures from an external constituency parser. It prohibits the attention mechanism to overweight the grammatically distant tokens over close ones. Experimental results show that our model could consistently improve translation performance on a variety of machine translation datasets, ranging from small to large dataset sizes, and with different source languages.

Bin Lu, Xiaoying Gan, Lina Yang et al.

With the tremendous expansion of graphs data, node classification shows its great importance in many real-world applications. Existing graph neural network based methods mainly focus on classifying unlabeled nodes within fixed classes with abundant labeling. However, in many practical scenarios, graph evolves with emergence of new nodes and edges. Novel classes appear incrementally along with few labeling due to its newly emergence or lack of exploration. In this paper, we focus on this challenging but practical graph few-shot class-incremental learning (GFSCIL) problem and propose a novel method called Geometer. Instead of replacing and retraining the fully connected neural network classifer, Geometer predicts the label of a node by finding the nearest class prototype. Prototype is a vector representing a class in the metric space. With the pop-up of novel classes, Geometer learns and adjusts the attention-based prototypes by observing the geometric proximity, uniformity and separability. Teacher-student knowledge distillation and biased sampling are further introduced to mitigate catastrophic forgetting and unbalanced labeling problem respectively. Experimental results on four public datasets demonstrate that Geometer achieves a substantial improvement of 9.46% to 27.60% over state-of-the-art methods.

Zhixin Guo, Minyxuan Yan, Jiexing Qi et al. · meta-ai, mila

Pretrained language models (PLMs) have made remarkable progress in table-to-text generation tasks. However, the lack of domain-specific knowledge makes it challenging to bridge the topological gap between tabular data and text, especially in real-world applications with limited resources. To mitigate the limitation of insufficient labeled data, we propose a novel framework: Adapt-Knowledge-to-Generate (AKG). The core insight of AKG is to adapt unlabeled domain-specific knowledge into the model, which brings at least three benefits: (1) it injects representation of normal table-related descriptions to bridge the topological gap between tabular data and texts; (2) it enables us to use large amounts of unlabeled domain-specific knowledge fully, which can alleviate the PLMs' inherent shortcomings of lacking domain knowledge; (3) it allows us to design various tasks to employ the domain-specific knowledge. Extensive experiments and analyses are conducted on three open-domain, few-shot natural language generation (NLG) data sets: Humans, Songs, and Books. Compared to previous state-of-the-art approaches, our model achieves superior performance in terms of both fluency and accuracy as judged by human and automatic evaluations.

Huawei Ji, Cheng Deng, Bo Xue et al.

With the development of data-centric AI, the focus has shifted from model-driven approaches to improving data quality. Academic literature, as one of the crucial types, is predominantly stored in PDF formats and needs to be parsed into texts before further processing. However, parsing diverse structured texts in academic literature remains challenging due to the lack of datasets that cover various text structures. In this paper, we introduce AceParse, the first comprehensive dataset designed to support the parsing of a wide range of structured texts, including formulas, tables, lists, algorithms, and sentences with embedded mathematical expressions. Based on AceParse, we fine-tuned a multimodal model, named AceParser, which accurately parses various structured texts within academic literature. This model outperforms the previous state-of-the-art by 4.1% in terms of F1 score and by 5% in Jaccard Similarity, demonstrating the potential of multimodal models in academic literature parsing. Our dataset is available at https://github.com/JHW5981/AceParse.

Jingyao Wu, Bin Lu, Zijun Di et al.

Large language models show great potential in unstructured data understanding, but still face significant challenges with graphs due to their structural hallucination. Existing approaches mainly either verbalize graphs into natural language, which leads to excessive token consumption and scattered attention, or transform graphs into trainable continuous embeddings (i.e., soft prompt), but exhibit severe misalignment with original text tokens. To solve this problem, we propose to incorporate one special token <SOG_k> to fully represent the Structure Of Graph within a unified token space, facilitating explicit topology input and structural information sharing. Specifically, we propose a topology-aware structural tokenizer that maps each graph topology into a highly selective single token. Afterwards, we construct a set of hybrid structure Question-Answering corpora to align new structural tokens with existing text tokens. With this approach, <SOG_k> empowers LLMs to understand, generate, and reason in a concise and accurate manner. Extensive experiments on five graph-level benchmarks demonstrate the superiority of our method, achieving a performance improvement of 9.9% to 41.4% compared to the baselines while exhibiting interpretability and consistency. Furthermore, our method provides a flexible extension to node-level tasks, enabling both global and local structural understanding. The codebase is publicly available at https://github.com/Jingyao-Wu/SOG.

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.

Yang Li, Shao Zhang, Jichen Sun et al.

Zero-shot coordination in cooperative artificial intelligence (AI) remains a significant challenge, which means effectively coordinating with a wide range of unseen partners. Previous algorithms have attempted to address this challenge by optimizing fixed objectives within a population to improve strategy or behaviour diversity. However, these approaches can result in a loss of learning and an inability to cooperate with certain strategies within the population, known as cooperative incompatibility. To address this issue, we propose the Cooperative Open-ended LEarning (COLE) framework, which constructs open-ended objectives in cooperative games with two players from the perspective of graph theory to assess and identify the cooperative ability of each strategy. We further specify the framework and propose a practical algorithm that leverages knowledge from game theory and graph theory. Furthermore, an analysis of the learning process of the algorithm shows that it can efficiently overcome cooperative incompatibility. The experimental results in the Overcooked game environment demonstrate that our method outperforms current state-of-the-art methods when coordinating with different-level partners. Our demo is available at https://sites.google.com/view/cole-2023.

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.

Yang Li, Shao Zhang, Jichen Sun et al.

Securing coordination between AI agent and teammates (human players or AI agents) in contexts involving unfamiliar humans continues to pose a significant challenge in Zero-Shot Coordination. The issue of cooperative incompatibility becomes particularly prominent when an AI agent is unsuccessful in synchronizing with certain previously unknown partners. Traditional algorithms have aimed to collaborate with partners by optimizing fixed objectives within a population, fostering diversity in strategies and behaviors. However, these techniques may lead to learning loss and an inability to cooperate with specific strategies within the population, a phenomenon named cooperative incompatibility in learning. In order to solve cooperative incompatibility in learning and effectively address the problem in the context of ZSC, we introduce the Cooperative Open-ended LEarning (COLE) framework, which formulates open-ended objectives in cooperative games with two players using perspectives of graph theory to evaluate and pinpoint the cooperative capacity of each strategy. We present two practical algorithms, specifically \algo and \algoR, which incorporate insights from game theory and graph theory. We also show that COLE could effectively overcome the cooperative incompatibility from theoretical and empirical analysis. Subsequently, we created an online Overcooked human-AI experiment platform, the COLE platform, which enables easy customization of questionnaires, model weights, and other aspects. Utilizing the COLE platform, we enlist 130 participants for human experiments. Our findings reveal a preference for our approach over state-of-the-art methods using a variety of subjective metrics. Moreover, objective experimental outcomes in the Overcooked game environment indicate that our method surpasses existing ones when coordinating with previously unencountered AI agents and the human proxy model.

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.

Huawei Ji, Yuanhao Sun, Yuan Jin et al.

Visual token pruning methods effectively mitigate the quadratic computational growth caused by processing high-resolution images and video frames in vision-language models (VLMs). However, existing approaches rely on predefined pruning configurations without determining whether they achieve computation-performance optimality. In this work, we introduce , a novel framework that formulates visual token pruning as a Pareto configuration optimization problem to automatically identify optimal configurations. Our approach employs continuous relaxation and straight-through estimators to enable gradient-based search, solved via the Augmented Lagrangian method. Extensive experiments across 8 visual benchmarks demonstrate that effectively approximates the empirical Pareto frontier obtained through grid search and generalizes well across various pruning methods and VLM architectures. Furthermore, through learnable kernel functions, we investigate layer-wise pruning patterns and reveal that multi-step progressive pruning captures VLMs' hierarchical compression structure, achieving superior accuracy-efficiency trade-offs compared to single-layer approaches.

Xu Bai, Bin Lu, Kun Zhang et al.

Graph coarsening is a graph dimensionality reduction technique that aims to construct a smaller and more tractable graph while preserving the essential structural and semantic properties of the original graph. However, most existing methods rely on pair-wise similarity matching, where each node independently searches for its best partner based on global information. This selfishness matching paradigm incurs substantial computational and memory overhead. To address this problem, we shift to a non-selfishness principle that prioritizes the collective interference of neighborhood in coarsening, and propose an efficient method named NOPE, which achieves linear memory consumption and near-linear computational complexity in the number of nodes. Furthermore, we derive a faster variant NOPE*, which reduces O(δ\dot d) interference evaluation to O(d) based on the local isotropy assumption, and consequently alleviates the computational bottleneck for high-degree nodes. Experimental results show that NOPE* achieves 1.8-10\times speedup over NOPE and surpass almost all baselines with 1-3 orders of magnitude acceleration. Meanwhile, learning on coarsened graphs yields comparable performance to original graphs, and can even show superior performance over LLM-based graph reasoning owing to compact graph information. The code can be available at https://github.com/dazonglian/NOPE-main.

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.

Shao Zhang, Xihuai Wang, Wenhao Zhang et al.

Theory of Mind (ToM) significantly impacts human collaboration and communication as a crucial capability to understand others. When AI agents with ToM capability collaborate with humans, Mutual Theory of Mind (MToM) arises in such human-AI teams (HATs). The MToM process, which involves interactive communication and ToM-based strategy adjustment, affects the team's performance and collaboration process. To explore the MToM process, we conducted a mixed-design experiment using a large language model-driven AI agent with ToM and communication modules in a real-time shared-workspace task. We find that the agent's ToM capability does not significantly impact team performance but enhances human understanding of the agent and the feeling of being understood. Most participants in our study believe verbal communication increases human burden, and the results show that bidirectional communication leads to lower HAT performance. We discuss the results' implications for designing AI agents that collaborate with humans in real-time shared workspace tasks.

Mingtao Xian, Yifeng Yang, Qinying Gu et al.

Multimodal Large Language Models (MLLMs) have shown strong performance in multi-image cross-modal retrieval, yet suffer from severe position bias, where predictions are dominated by input order rather than semantic relevance. Through empirical analysis, we identify a phenomenon termed Logit-Attention Divergence, in which output logits are heavily biased while internal attention maps remain well-aligned with relevant visual evidence. This observation reveals a fundamental limitation of existing logit-level calibration methods such as PriDe. Based on this insight, we propose a training-free, attention-guided debiasing framework that leverages intrinsic attention signals for instance-level correction at inference time, requiring only a minimal calibration set with negligible computational overhead. Experiments on MS-COCO-based benchmarks show that our method substantially improves permutation invariance and achieves state-of-the-art performance, enhancing accuracy by over 40\% compared to baselines. Code is available at https://github.com/brightXian/LAD.

Yifeng Yang, Jubo Feng, Jing Xu et al.

Vision-language models enable OOD detection by comparing image alignment with ID labels and negative semantics. Existing negative-label-based methods mainly rely on static negative labels constructed before inference, limiting their ability to cover diverse and evolving OOD concepts. Although test-time expansion provides a natural solution, naively learning negative semantics from potential OOD samples may introduce hard ID contamination. To address this issue, we propose a \textbf{T}est-time \textbf{I}D-prototype-separated \textbf{N}egative \textbf{S}emantics learning method, termed \textbf{TINS}. TINS learns sample-specific negative text embeddings via image-to-text modality inversion and introduces ID-prototype-separated regularization to keep them separated from ID semantics. To further stabilize negative semantics expansion, TINS employs group-wise aggregation scoring and a buffer update strategy. Extensive experiments across Four-OOD, OpenOOD, Temporal-shift, and Various ID settings show consistent improvements over strong baselines. Notably, on the Four-OOD benchmark with ImageNet-1K as ID, TINS reduces the average FPR95 from 14.04\% to 6.72\%. Our code is available at https://github.com/zxk1212/tins.

Bo Xue, Yunchong Song, Fanghao Shao et al.

Standard autoregressive language models generate text token-by-token from a fixed vocabulary, inducing a tree-structured state space when viewing token sampling as an action, which limits flexibility and expressiveness. Recent work introduces dynamic vocabulary by sampling retrieved text spans but overlooks that the same sentence can be composed of spans of varying lengths, lacking explicit modeling of the directed acyclic graph (DAG) state space. This leads to restricted exploration of compositional paths and is biased toward the chosen path. Generative Flow Networks (GFlowNets) are powerful for efficient exploring and generalizing over state spaces, particularly those with a DAG structure. However, prior GFlowNets-based language models operate at the token level and remain confined to tree-structured spaces, limiting their potential. In this work, we propose Flow of SpanS (FOSS), a principled GFlowNets framework for span generation. FoSS constructs a dynamic span vocabulary by segmenting the retrieved text flexibly, ensuring a DAG-structured state space, which allows GFlowNets to explore diverse compositional paths and improve generalization. With specialized reward models, FoSS generates diverse, high-quality text. Empirically, FoSS improves MAUVE scores by up to 12.5% over Transformer on text generation and achieves 3.5% gains on knowledge-intensive tasks, consistently outperforming state-of-the-art methods. Scaling experiments further demonstrate FoSS benefits from larger models, more data, and richer retrieval corpora, retaining its advantage over strong baselines.

Zijun Di, Bin Lu, Huquan Kang et al.

Large language models (LLMs) have demonstrated promising capabilities in Text-Attributed Graph (TAG) understanding. Recent studies typically focus on verbalizing the graph structures via handcrafted prompts, feeding the target node and its neighborhood context into LLMs. However, constrained by the context window, existing methods mainly resort to random sampling, often implemented via dropping node/edge randomly, which inevitably introduces noise and cause reasoning instability. We argue that graphs inherently contain rich structural and semantic information, and that their effective exploitation can unlock potential gains in LLMs reasoning performance. To this end, we propose Homophily-aware Structural and Semantic Compression for LLMs (HS2C), a framework centered on exploiting graph homophily. Structurally, guided by the principle of Structural Entropy minimization, we perform a global hierarchical partition that decodes the graph's essential topology. This partition identifies naturally cohesive, homophilic communities, while discarding stochastic connectivity noise. Semantically, we deliver the detected structural homophily to the LLM, empowering it to perform differentiated semantic aggregation based on predefined community type. This process compresses redundant background contexts into concise community-level consensus, selectively preserving semantically homophilic information aligned with the target nodes. Extensive experiments on 10 node-level benchmarks across LLMs of varying sizes and families demonstrate that, by feeding LLMs with structurally and semantically compressed inputs, HS2C simultaneously enhances the compression rate and downstream inference accuracy, validating its superiority and scalability. Extensions to 7 diverse graph-level benchmarks further consolidate HS2C's task generalizability.

Bo Xue, Yuan Jin, Luoyi Fu et al.

Knowledge graph reasoning (KGR) infers missing facts, with recent advances increasingly harnessing the semantic priors and reasoning abilities of Large Language Models (LLMs). However, prevailing generative paradigms are prone to memorizing surface-level co-occurrences rather than learning genuine relational semantics, limiting out-of-distribution generalization. To address this, we propose RADAR, which reformulates KGR from generative pattern matching to discriminative relational reasoning. We recast KGR as discriminative entity selection, where reinforcement learning enforces relative entity separability beyond token-likelihood imitation. Leveraging this separability, inference operates directly in representation space, ensuring consistency with the discriminative optimization and bypassing generation-induced hallucinations. Across four benchmarks, RADAR achieves 5-6% relative gains on link prediction and triple classification over strong LLM baselines, while increasing task-relevant mutual information in intermediate representations by 62.9%, indicating more robust and transferable relational reasoning.

Bo Xue, Yi Xu, Bolei Ma et al.

Traditional knowledge graph completion (KGC) methods rely solely on structural information and struggle with sparsity, while Large Language Models (LLMs) address these limitations through rich world knowledge and strong context modeling. Fine-tuning LLMs is effective but costly, while non-fine-tuned LLMs are efficient but suboptimal. To address this trade-off, we propose \textbf{FLAME}, a framework that extracts context-aware hidden states from intermediate layers of frozen LLMs to train data-efficient KGC classifiers. We bridge LLM-KG semantic gaps via subgraph-based entity descriptions and employ sliced mutual information (SMI) to quantify task-relevant information in representations. Experiments demonstrate that FLAME achieves 47\% improvement over non-fine-tuned LLM baselines and, to our knowledge, is the first to achieve fine-tuned performance with $188\times$ memory efficiency and $26.11\times$ speedup.

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.

Boyi Zeng, Lizheng Wang, Yuncong Hu et al.

Protecting the copyright of large language models (LLMs) has become crucial due to their resource-intensive training and accompanying carefully designed licenses. However, identifying the original base model of an LLM is challenging due to potential parameter alterations. In this study, we introduce HuRef, a human-readable fingerprint for LLMs that uniquely identifies the base model without interfering with training or exposing model parameters to the public. We first observe that the vector direction of LLM parameters remains stable after the model has converged during pretraining, with negligible perturbations through subsequent training steps, including continued pretraining, supervised fine-tuning, and RLHF, which makes it a sufficient condition to identify the base model. The necessity is validated by continuing to train an LLM with an extra term to drive away the model parameters' direction and the model becomes damaged. However, this direction is vulnerable to simple attacks like dimension permutation or matrix rotation, which significantly change it without affecting performance. To address this, leveraging the Transformer structure, we systematically analyze potential attacks and define three invariant terms that identify an LLM's base model. Due to the potential risk of information leakage, we cannot publish invariant terms directly. Instead, we map them to a Gaussian vector using an encoder, then convert it into a natural image using StyleGAN2, and finally publish the image. In our black-box setting, all fingerprinting steps are internally conducted by the LLMs owners. To ensure the published fingerprints are honestly generated, we introduced Zero-Knowledge Proof (ZKP). Experimental results across various LLMs demonstrate the effectiveness of our method. The code is available at https://github.com/LUMIA-Group/HuRef.

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.

Boyi Zeng, Shixiang Song, Siyuan Huang et al.

Humans ponder before articulating complex sentence elements, enabling deeper cognitive processing through focused effort. In this work, we introduce this pondering process into language models by repeatedly invoking the forward process within a single token generation step. During pondering, instead of generating an actual token sampled from the prediction distribution, the model ponders by yielding a weighted sum of all token embeddings according to the predicted token distribution. The generated embedding is then fed back as input for another forward pass. We show that the model can learn to ponder in this way through self-supervised learning, without any human annotations. Experiments across three widely used open-source architectures-GPT-2, Pythia, and LLaMA-and extensive downstream task evaluations demonstrate the effectiveness and generality of our method. For language modeling tasks, pondering language models achieve performance comparable to vanilla models with twice the number of parameters. On 9 downstream benchmarks, our pondering-enhanced Pythia models significantly outperform the official Pythia models. Notably, PonderingPythia-2.8B surpasses Pythia-6.9B, and PonderingPythia-1B is comparable to TinyLlama-1.1B, which is trained on 10 times more data. The code is available at https://github.com/LUMIA-Group/PonderingLM.

Cheng Deng, Fan Xu, Jiaxing Ding et al.

Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or spherical spaces to achieve better performance on graphs with complex structures, such as hierarchical or ring structures. Fusing the embedding from different manifolds can further take advantage of the embedding capabilities over different graph structures. However, existing embedding fusion methods mostly focus on concatenating or summing up the output embeddings, without considering interacting and aligning the embeddings of the same vertices on different manifolds, which can lead to distortion and impression in the final fusion results. Besides, it is also challenging to fuse the embeddings of the same vertices from different coordinate systems. In face of these challenges, we propose the Fused Manifold Graph Neural Network (FMGNN), a novel GNN architecture that embeds graphs into different Riemannian manifolds with interaction and alignment among these manifolds during training and fuses the vertex embeddings through the distances on different manifolds between vertices and selected landmarks, geometric coresets. Our experiments demonstrate that FMGNN yields superior performance over strong baselines on the benchmarks of node classification and link prediction tasks.

Shao Zhang, Xihuai Wang, Wenhao Zhang et al.

Agents built on large language models (LLMs) have excelled in turn-by-turn human-AI collaboration but struggle with simultaneous tasks requiring real-time interaction. Latency issues and the challenge of inferring variable human strategies hinder their ability to make autonomous decisions without explicit instructions. Through experiments with current independent System 1 and System 2 methods, we validate the necessity of using Dual Process Theory (DPT) in real-time tasks. We propose DPT-Agent, a novel language agent framework that integrates System 1 and System 2 for efficient real-time simultaneous human-AI collaboration. DPT-Agent's System 1 uses a Finite-state Machine (FSM) and code-as-policy for fast, intuitive, and controllable decision-making. DPT-Agent's System 2 integrates Theory of Mind (ToM) and asynchronous reflection to infer human intentions and perform reasoning-based autonomous decisions. We demonstrate the effectiveness of DPT-Agent through further experiments with rule-based agents and human collaborators, showing significant improvements over mainstream LLM-based frameworks. DPT-Agent can effectively help LLMs convert correct slow thinking and reasoning into executable actions, thereby improving performance. To the best of our knowledge, DPT-Agent is the first language agent framework that achieves successful real-time simultaneous human-AI collaboration autonomously. Code of DPT-Agent can be found in https://github.com/sjtu-marl/DPT-Agent.

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.

Xinchi Han, Weihao Jiang, Yingming Mao et al.

Recent years have witnessed the growing deployment of optical circuit switches (OCS) in commercial GPU clusters (e.g., Google A3 GPU cluster) optimized for machine learning (ML) workloads. Such clusters adopt a three-tier leaf-spine-OCS topology, servers attach to leaf-layer electronic packet switches (EPSes); these leaf switches aggregate into spine-layer EPSes to form a Pod; and multiple Pods are interconnected via core-layer OCSes. Unlike EPSes, OCSes only support circuit-based paths between directly connected spine switches, potentially inducing a phenomenon termed routing polarization, which refers to the scenario where the bandwidth requirements between specific pairs of Pods are unevenly fulfilled through links among different spine switches. The resulting imbalance induces traffic contention and bottlenecks on specific leaf-to-spine links, ultimately reducing ML training throughput. To mitigate this issue, we introduce a leaf-centric paradigm to ensure traffic originating from the same leaf switch is evenly distributed across multiple spine switches with balanced loads. Through rigorous theoretical analysis, we establish a sufficient condition for avoiding routing polarization and propose a corresponding logical topology design algorithm with polynomial-time complexity. Large-scale simulations validate up to 19.27% throughput improvement and a 99.16% reduction in logical topology computation overhead compared to Mixed Integer Programming (MIP)-based methods.

Boyi Zeng, Yiqin Hao, He Li et al.

Scaling large language models by increasing parameters and training data is increasingly constrained by limited high-quality corpora and rising communication costs. This work explores an alternative axis: increasing per-token computation without expanding parameters, by internalizing latent Chain-of-Thought (CoT) into pretraining. We propose Pretraining with Token-Level Adaptive Latent CoT (adaptive latent CoT), where the model generates a variable-length latent CoT trajectory before emitting each token -- allocating longer trajectories to difficult tokens and shorter (or even zero) trajectories to easy ones. Importantly, this behavior emerges naturally from one-stage pretraining on general text and reduces computation in both training and inference via token-wise adaptive halting. Experiments with Llama architectures show that adaptive latent CoT consistently improves language modeling perplexity and broad downstream accuracy, even with fewer training FLOPs than prior recurrent baselines.

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.

Yiming Liu, Bin Lu, Xinbing Wang et al.

Large Language Models (LLMs) show remarkable semantic understanding but often struggle with structural understanding when processing graph topologies in a serialized format. Existing solutions rely on training external graph-based adapters or fine-tuning, which incur high costs and lost generalizability. In this work, we investigate the internal mechanisms of LLMs and present a critical finding: LLMs spontaneously reconstruct the graph's topology internally, evidenced by a distinct "sawtooth" pattern in their attention maps that structurally aligns with the "token-level adjacency matrix". However, this intrinsic structural understanding is diluted by the attention sink. We theoretically formalize this dilution as a representation bottleneck, stemming from a fundamental conflict: the model's anisotropic bias, essential for language tasks, suppresses the topology-aware local aggregation required for graph reasoning. To address this, we propose a training-free solution, named StructuraL Attention SHarpening (Slash), which amplifies this internal structural understanding via a plug-and-play attention redistribution. Experiments on pure graph tasks and molecular prediction validate Slash delivers significant and consistent performance gains across diverse LLMs.