Enhong Chen

Luankang Zhang, Yonghao Huang, Hang Lv et al.

Chain-of-Thought (CoT) reasoning is widely used to improve LLM performance, and recent foundation recommender models adopt it by generating textual reasoning before predicting target items represented by Semantic IDs (SIDs). However, we observe that enabling thinking mode in models such as OpenOneRec can degrade recommendation quality by up to 25%. We investigate this failure and identify Linguistic Inertia: when a textual CoT segment is inserted before SID generation, the model relies more on natural-language context and less on historical SID evidence. Further analyses show that this effect is amplified by reduced access to historical information and longer CoT lengths. To mitigate it, we propose Linguistic-Inertia-Calibrated Decoding (LICD), a training-free framework that combines Reasoning-Chain Compression and Bias-Subtracted Contrastive Inference. Experiments on three large-scale benchmarks show that LICD consistently outperforms both no-thinking and original-thinking baselines. Our code is available at https://anonymous.4open.science/r/LICD-4573.

Qi Liu, Mingdi Sun, Yongyi He et al.

Supervised fine-tuning (SFT) followed by reinforcement learning (RL) has become a standard post-training paradigm for large language models. This paradigm provides a cold-start for RL exploration, avoiding the inefficiency of pure RL where on-policy sampling yields insufficient positive samples. However, in practice, existing approaches often use a small amount of data for SFT initialization compared to the RL phase, which can cause the model to fit the limited samples and shift away from its pre-trained distribution. This distribution shift impedes the model's ability to effectively explore during subsequent RL training. To address this challenge, we propose that in low-data regimes, SFT should prioritize activating task-relevant capabilities rather than memorizing specific content. Along this line, we propose EKSFT (Entropy-KL Selective Fine-Tuning), which selectively masks tokens that exhibit either high entropy or high KL divergence from a reference model. By excluding these high-uncertainty, distribution-shifting tokens from imitation, EKSFT injects task-specific knowledge while preserving the integrity of the model's pre-trained distribution. Empirical evaluations on mathematical reasoning benchmarks demonstrate that EKSFT consistently outperforms standard SFT. Further RL fine-tuning from the EKSFT model yields consistently better post-RL performance, indicating improved exploration for the RL stage. Our codes and datasets are available at https://github.com/MINE-USTC/EKSFT.

Shukang Yin, Chaoyou Fu, Sirui Zhao et al. · tencent-ai

Recently, Multimodal Large Language Model (MLLM) represented by GPT-4V has been a new rising research hotspot, which uses powerful Large Language Models (LLMs) as a brain to perform multimodal tasks. The surprising emergent capabilities of MLLM, such as writing stories based on images and OCR-free math reasoning, are rare in traditional multimodal methods, suggesting a potential path to artificial general intelligence. To this end, both academia and industry have endeavored to develop MLLMs that can compete with or even better than GPT-4V, pushing the limit of research at a surprising speed. In this paper, we aim to trace and summarize the recent progress of MLLMs. First of all, we present the basic formulation of MLLM and delineate its related concepts, including architecture, training strategy and data, as well as evaluation. Then, we introduce research topics about how MLLMs can be extended to support more granularity, modalities, languages, and scenarios. We continue with multimodal hallucination and extended techniques, including Multimodal ICL (M-ICL), Multimodal CoT (M-CoT), and LLM-Aided Visual Reasoning (LAVR). To conclude the paper, we discuss existing challenges and point out promising research directions. In light of the fact that the era of MLLM has only just begun, we will keep updating this survey and hope it can inspire more research. An associated GitHub link collecting the latest papers is available at https://github.com/BradyFU/Awesome-Multimodal-Large-Language-Models.

Likang Wu, Zhaopeng Qiu, Zhi Zheng et al.

Large Language Models (LLMs) have revolutionized natural language processing tasks, demonstrating their exceptional capabilities in various domains. However, their potential for behavior graph understanding in job recommendations remains largely unexplored. This paper focuses on unveiling the capability of large language models in understanding behavior graphs and leveraging this understanding to enhance recommendations in online recruitment, including the promotion of out-of-distribution (OOD) application. We present a novel framework that harnesses the rich contextual information and semantic representations provided by large language models to analyze behavior graphs and uncover underlying patterns and relationships. Specifically, we propose a meta-path prompt constructor that leverages LLM recommender to understand behavior graphs for the first time and design a corresponding path augmentation module to alleviate the prompt bias introduced by path-based sequence input. By leveraging this capability, our framework enables personalized and accurate job recommendations for individual users. We evaluate the effectiveness of our approach on a comprehensive dataset and demonstrate its ability to improve the relevance and quality of recommended quality. This research not only sheds light on the untapped potential of large language models but also provides valuable insights for developing advanced recommendation systems in the recruitment market. The findings contribute to the growing field of natural language processing and offer practical implications for enhancing job search experiences. We release the code at https://github.com/WLiK/GLRec.

Luankang Zhang, Hao Wang, Zhongzhou Liu et al.

The scarcity of high-quality training data presents a fundamental bottleneck to scaling machine learning models. This challenge is particularly acute in recommendation systems, where extreme sparsity in user interactions leads to rugged optimization landscapes and poor generalization. We propose the Recursive Self-Improving Recommendation (RSIR) framework, a paradigm in which a model bootstraps its own performance without reliance on external data or teacher models. RSIR operates in a closed loop: the current model generates plausible user interaction sequences, a fidelity-based quality control mechanism filters them for consistency with user's approximate preference manifold, and a successor model is augmented on the enriched dataset. Our theoretical analysis shows that RSIR acts as a data-driven implicit regularizer, smoothing the optimization landscape and guiding models toward more robust solutions. Empirically, RSIR yields consistent, cumulative gains across multiple benchmarks and architectures. Notably, even smaller models benefit, and weak models can generate effective training curricula for stronger ones. These results demonstrate that recursive self-improvement is a general, model-agnostic approach to overcoming data sparsity, suggesting a scalable path forward for recommender systems and beyond. Our anonymized code is available at https://github.com/USTC-StarTeam/RSIR.

Weiwen Liu, Xu Huang, Xingshan Zeng et al.

Function calling significantly extends the application boundary of large language models, where high-quality and diverse training data is critical for unlocking this capability. However, real function-calling data is quite challenging to collect and annotate, while synthetic data generated by existing pipelines tends to lack coverage and accuracy. In this paper, we present ToolACE, an automatic agentic pipeline designed to generate accurate, complex, and diverse tool-learning data. ToolACE leverages a novel self-evolution synthesis process to curate a comprehensive API pool of 26,507 diverse APIs. Dialogs are further generated through the interplay among multiple agents, guided by a formalized thinking process. To ensure data accuracy, we implement a dual-layer verification system combining rule-based and model-based checks. We demonstrate that models trained on our synthesized data, even with only 8B parameters, achieve state-of-the-art performance on the Berkeley Function-Calling Leaderboard, rivaling the latest GPT-4 models. Our model and a subset of the data are publicly available at https://huggingface.co/Team-ACE.

Shukang Yin, Chaoyou Fu, Sirui Zhao et al.

Hallucination is a big shadow hanging over the rapidly evolving Multimodal Large Language Models (MLLMs), referring to the phenomenon that the generated text is inconsistent with the image content. In order to mitigate hallucinations, existing studies mainly resort to an instruction-tuning manner that requires retraining the models with specific data. In this paper, we pave a different way, introducing a training-free method named Woodpecker. Like a woodpecker heals trees, it picks out and corrects hallucinations from the generated text. Concretely, Woodpecker consists of five stages: key concept extraction, question formulation, visual knowledge validation, visual claim generation, and hallucination correction. Implemented in a post-remedy manner, Woodpecker can easily serve different MLLMs, while being interpretable by accessing intermediate outputs of the five stages. We evaluate Woodpecker both quantitatively and qualitatively and show the huge potential of this new paradigm. On the POPE benchmark, our method obtains a 30.66%/24.33% improvement in accuracy over the baseline MiniGPT-4/mPLUG-Owl. The source code is released at https://github.com/BradyFU/Woodpecker.

Mingjia Yin, Hao Wang, Xiang Xu et al.

The sequential recommendation system has been widely studied for its promising effectiveness in capturing dynamic preferences buried in users' sequential behaviors. Despite the considerable achievements, existing methods usually focus on intra-sequence modeling while overlooking exploiting global collaborative information by inter-sequence modeling, resulting in inferior recommendation performance. Therefore, previous works attempt to tackle this problem with a global collaborative item graph constructed by pre-defined rules. However, these methods neglect two crucial properties when capturing global collaborative information, i.e., adaptiveness and personalization, yielding sub-optimal user representations. To this end, we propose a graph-driven framework, named Adaptive and Personalized Graph Learning for Sequential Recommendation (APGL4SR), that incorporates adaptive and personalized global collaborative information into sequential recommendation systems. Specifically, we first learn an adaptive global graph among all items and capture global collaborative information with it in a self-supervised fashion, whose computational burden can be further alleviated by the proposed SVD-based accelerator. Furthermore, based on the graph, we propose to extract and utilize personalized item correlations in the form of relative positional encoding, which is a highly compatible manner of personalizing the utilization of global collaborative information. Finally, the entire framework is optimized in a multi-task learning paradigm, thus each part of APGL4SR can be mutually reinforced. As a generic framework, APGL4SR can outperform other baselines with significant margins. The code is available at https://github.com/Graph-Team/APGL4SR.

Yuting Ning, Jiayu Liu, Longhu Qin et al.

In the Natural Language for Optimization (NL4Opt) NeurIPS 2022 competition, competitors focus on improving the accessibility and usability of optimization solvers, with the aim of subtask 1: recognizing the semantic entities that correspond to the components of the optimization problem; subtask 2: generating formulations for the optimization problem. In this paper, we present the solution of our team. First, we treat subtask 1 as a named entity recognition (NER) problem with the solution pipeline including pre-processing methods, adversarial training, post-processing methods and ensemble learning. Besides, we treat subtask 2 as a generation problem with the solution pipeline including specially designed prompts, adversarial training, post-processing methods and ensemble learning. Our proposed methods have achieved the F1-score of 0.931 in subtask 1 and the accuracy of 0.867 in subtask 2, which won the fourth and third places respectively in this competition. Our code is available at https://github.com/bigdata-ustc/nl4opt.

Yaoyang Luo, Zhi Zheng, Ziwei Zhao et al.

Recent years have witnessed the rapid development of Large Language Model-based Multi-Agent Systems (MAS), which excel at collaborative decision-making and complex problem-solving. However, malicious agents in MAS may inject misinformation to mislead other agents and disrupt system performance, giving rise to a new research direction that focuses on attack mechanisms and defense strategies in MAS. Prior studies largely assume malicious agents act independently and investigate the corresponding defense strategies. However, we argue that malicious agents may exhibit collaborative behaviors, enabling more effective attacks through internal information exchange. In this paper, we propose an adaptive cooperative attack framework, where malicious agents autonomously coordinate and dynamically adjust their attack strategies through multi-round interactions. Furthermore, we introduce Sentence-Level Trustworthiness Analysis and Rectification (STAR), a defense framework that identifies and rectifies misleading information at the sentence level within agent communications. Our experiments show that cooperative attacks lead to a significantly larger degradation in task success rate than independent attacks, resulting in a relative drop of 5.34\%. Meanwhile, STAR effectively mitigates both cooperative and independent threats and improves task success rate by an average of 36.76\%. The code is available at https://github.com/smoooom/STAR.

Shiwei Wu, Weidong He, Tong Xu et al.

Affordance-centric Question-driven Task Completion for Egocentric Assistant(AQTC) is a novel task which helps AI assistant learn from instructional videos and scripts and guide the user step-by-step. In this paper, we deal with the AQTC via a two-stage Function-centric approach, which consists of Question2Function Module to ground the question with the related function and Function2Answer Module to predict the action based on the historical steps. We evaluated several possible solutions in each module and obtained significant gains compared to the given baselines. Our code is available at \url{https://github.com/starsholic/LOVEU-CVPR22-AQTC}.

Shukang Yin, Shiwei Wu, Tong Xu et al.

Automatic Micro-Expression (ME) spotting in long videos is a crucial step in ME analysis but also a challenging task due to the short duration and low intensity of MEs. When solving this problem, previous works generally lack in considering the structures of human faces and the correspondence between expressions and relevant facial muscles. To address this issue for better performance of ME spotting, this paper seeks to extract finer spatial features by modeling the relationships between facial Regions of Interest (ROIs). Specifically, we propose a graph convolutional-based network, called Action-Unit-aWare Graph Convolutional Network (AUW-GCN). Furthermore, to inject prior information and to cope with the problem of small datasets, AU-related statistics are encoded into the network. Comprehensive experiments show that our results outperform baseline methods consistently and achieve new SOTA performance in two benchmark datasets,CAS(ME)^2 and SAMM-LV. Our code is available at https://github.com/xjtupanda/AUW-GCN.

Chuang Tang, Chenhao Lin, Yin Xu et al.

Parsing chemical reaction diagrams from scientific literature is challenging due to heterogeneous layouts, intertwined visual elements, and the difficulty of integrating recognition and reasoning. Existing vision-language models advance multimodal understanding but still fail on complex diagrams, struggling to maintain spatial coherence and to integrate multidimensional information during reasoning. To address these issues, we propose MACReD, a hierarchical multi-agent framework that coordinates specialized agents for molecular perception, arrow understanding, text extraction, and reaction reconstruction within a unified VLM-guided architecture. The planning and perception layers use flexible, fine-grained detection to handle visual complexity, while the reasoning layer uses a multigraph fusion mechanism to integrate heterogeneous cues and enforce chemically consistent global reasoning. Experiments on the RxnScribe benchmark show that MACReD achieves state-of-the-art performance, with F1 scores of 75.2% and 84.6% under hard and soft match criteria, outperforming the RxnScribe baseline, which obtains 69.1% and 80.0%, respectively. These results demonstrate the robustness of MACReD across diverse diagram layouts, including multi-step and tree-structured reactions.

Lin Chen, Huaian Chen, Zhixiang Wei et al.

Adversarial learning has achieved remarkable performances for unsupervised domain adaptation (UDA). Existing adversarial UDA methods typically adopt an additional discriminator to play the min-max game with a feature extractor. However, most of these methods failed to effectively leverage the predicted discriminative information, and thus cause mode collapse for generator. In this work, we address this problem from a different perspective and design a simple yet effective adversarial paradigm in the form of a discriminator-free adversarial learning network (DALN), wherein the category classifier is reused as a discriminator, which achieves explicit domain alignment and category distinguishment through a unified objective, enabling the DALN to leverage the predicted discriminative information for sufficient feature alignment. Basically, we introduce a Nuclear-norm Wasserstein discrepancy (NWD) that has definite guidance meaning for performing discrimination. Such NWD can be coupled with the classifier to serve as a discriminator satisfying the K-Lipschitz constraint without the requirements of additional weight clipping or gradient penalty strategy. Without bells and whistles, DALN compares favorably against the existing state-of-the-art (SOTA) methods on a variety of public datasets. Moreover, as a plug-and-play technique, NWD can be directly used as a generic regularizer to benefit existing UDA algorithms. Code is available at https://github.com/xiaoachen98/DALN.

Jin Chen, Zheng Liu, Xu Huang et al.

The advent of large language models marks a revolutionary breakthrough in artificial intelligence. With the unprecedented scale of training and model parameters, the capability of large language models has been dramatically improved, leading to human-like performances in understanding, language synthesizing, and common-sense reasoning, etc. Such a major leap-forward in general AI capacity will change the pattern of how personalization is conducted. For one thing, it will reform the way of interaction between humans and personalization systems. Instead of being a passive medium of information filtering, large language models present the foundation for active user engagement. On top of such a new foundation, user requests can be proactively explored, and user's required information can be delivered in a natural and explainable way. For another thing, it will also considerably expand the scope of personalization, making it grow from the sole function of collecting personalized information to the compound function of providing personalized services. By leveraging large language models as general-purpose interface, the personalization systems may compile user requests into plans, calls the functions of external tools to execute the plans, and integrate the tools' outputs to complete the end-to-end personalization tasks. Today, large language models are still being developed, whereas the application in personalization is largely unexplored. Therefore, we consider it to be the right time to review the challenges in personalization and the opportunities to address them with LLMs. In particular, we dedicate this perspective paper to the discussion of the following aspects: the development and challenges for the existing personalization system, the newly emerged capabilities of large language models, and the potential ways of making use of large language models for personalization.

Zaixi Zhang, Jiaxian Yan, Yining Huang et al.

Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical modeling and domain expertise, are often resource-intensive. Recent advancements in geometric deep learning, which effectively integrate and process 3D geometric data, alongside breakthroughs in accurate protein structure predictions from tools like AlphaFold, have significantly propelled the field forward. This paper systematically reviews the state-of-the-art in geometric deep learning for SBDD. We begin by outlining foundational tasks in SBDD, discussing prevalent 3D protein representations, and highlighting representative predictive and generative models. Next, we provide an in-depth review of key tasks, including binding site prediction, binding pose generation, de novo molecule generation, linker design, protein pocket generation, and binding affinity prediction. For each task, we present formal problem definitions, key methods, datasets, evaluation metrics, and performance benchmarks. Lastly, we explore current challenges and future opportunities in SBDD. Challenges include oversimplified problem formulations, limited out-of-distribution generalization, biosecurity concerns related to the misuse of structural data, insufficient evaluation metrics and large-scale benchmarks, and the need for experimental validation and enhanced model interpretability. Opportunities lie in leveraging multimodal datasets, integrating domain knowledge, developing comprehensive benchmarks, establishing criteria aligned with clinical outcomes, and designing foundation models to expand the scope of design tasks. We also curate \url{https://github.com/zaixizhang/Awesome-SBDD}, reflecting ongoing contributions and new datasets in SBDD.

Yuqing Huang, Rongyang Zhang, Xuesong He et al.

There is a growing interest in the role that LLMs play in chemistry which lead to an increased focus on the development of LLMs benchmarks tailored to chemical domains to assess the performance of LLMs across a spectrum of chemical tasks varying in type and complexity. However, existing benchmarks in this domain fail to adequately meet the specific requirements of chemical research professionals. To this end, we propose \textbf{\textit{ChemEval}}, which provides a comprehensive assessment of the capabilities of LLMs across a wide range of chemical domain tasks. Specifically, ChemEval identified 4 crucial progressive levels in chemistry, assessing 12 dimensions of LLMs across 42 distinct chemical tasks which are informed by open-source data and the data meticulously crafted by chemical experts, ensuring that the tasks have practical value and can effectively evaluate the capabilities of LLMs. In the experiment, we evaluate 12 mainstream LLMs on ChemEval under zero-shot and few-shot learning contexts, which included carefully selected demonstration examples and carefully designed prompts. The results show that while general LLMs like GPT-4 and Claude-3.5 excel in literature understanding and instruction following, they fall short in tasks demanding advanced chemical knowledge. Conversely, specialized LLMs exhibit enhanced chemical competencies, albeit with reduced literary comprehension. This suggests that LLMs have significant potential for enhancement when tackling sophisticated tasks in the field of chemistry. We believe our work will facilitate the exploration of their potential to drive progress in chemistry. Our benchmark and analysis will be available at {\color{blue} \url{https://github.com/USTC-StarTeam/ChemEval}}.

Mingyue Cheng, Xiaoyu Tao, Zhiding Liu et al.

Learning transferable representations from unlabeled time series is crucial for improving performance in data-scarce classification. Existing self-supervised methods often operate at the point level and rely on unidirectional encoding, leading to low semantic density and a mismatch between pre-training and downstream optimization. In this paper, we propose TimeMAE, a self-supervised framework that reformulates masked modeling for time series via semantic unit elevation and decoupled representation learning. Instead of modeling individual time steps, TimeMAE segments time series into non-overlapping sub-series to form semantically enriched units, enabling more informative masked reconstruction while reducing computational cost. To address the representation discrepancy introduced by masking, we design a decoupled masked autoencoder that separately encodes visible and masked regions, avoiding artificial masked tokens in the main encoder. To guide pre-training, we introduce two complementary objectives: masked codeword classification, which discretizes sub-series semantics via a learned tokenizer and masked representation regression, which aligns continuous representations through a momentum-updated target encoder. Extensive experiments on five datasets demonstrate that TimeMAE outperforms competitive baselines, particularly in label-scarce scenarios and transfer learning scenarios.

Mingyue Cheng, Qi Liu, Zhiding Liu et al.

Deep learning-based algorithms, e.g., convolutional networks, have significantly facilitated multivariate time series classification (MTSC) task. Nevertheless, they suffer from the limitation in modeling long-range dependence due to the nature of convolution operations. Recent advancements have shown the potential of transformers to capture long-range dependence. However, it would incur severe issues, such as fixed scale representations, temporal-invariant and quadratic time complexity, with transformers directly applicable to the MTSC task because of the distinct properties of time series data. To tackle these issues, we propose FormerTime, an hierarchical representation model for improving the classification capacity for the MTSC task. In the proposed FormerTime, we employ a hierarchical network architecture to perform multi-scale feature maps. Besides, a novel transformer encoder is further designed, in which an efficient temporal reduction attention layer and a well-informed contextual positional encoding generating strategy are developed. To sum up, FormerTime exhibits three aspects of merits: (1) learning hierarchical multi-scale representations from time series data, (2) inheriting the strength of both transformers and convolutional networks, and (3) tacking the efficiency challenges incurred by the self-attention mechanism. Extensive experiments performed on $10$ publicly available datasets from UEA archive verify the superiorities of the FormerTime compared to previous competitive baselines.

Yichao Du, Zhirui Zhang, Bingzhe Wu et al. · tencent-ai

To protect user privacy and meet legal regulations, federated learning (FL) is attracting significant attention. Training neural machine translation (NMT) models with traditional FL algorithm (e.g., FedAvg) typically relies on multi-round model-based interactions. However, it is impractical and inefficient for machine translation tasks due to the vast communication overheads and heavy synchronization. In this paper, we propose a novel federated nearest neighbor (FedNN) machine translation framework that, instead of multi-round model-based interactions, leverages one-round memorization-based interaction to share knowledge across different clients to build low-overhead privacy-preserving systems. The whole approach equips the public NMT model trained on large-scale accessible data with a $k$-nearest-neighbor ($$kNN) classifier and integrates the external datastore constructed by private text data in all clients to form the final FL model. A two-phase datastore encryption strategy is introduced to achieve privacy-preserving during this process. Extensive experiments show that FedNN significantly reduces computational and communication costs compared with FedAvg, while maintaining promising performance in different FL settings.

Kai Zhang, Qi Liu, Zhenya Huang et al.

Cross-domain sentiment classification (CDSC) aims to use the transferable semantics learned from the source domain to predict the sentiment of reviews in the unlabeled target domain. Existing studies in this task attach more attention to the sequence modeling of sentences while largely ignoring the rich domain-invariant semantics embedded in graph structures (i.e., the part-of-speech tags and dependency relations). As an important aspect of exploring characteristics of language comprehension, adaptive graph representations have played an essential role in recent years. To this end, in the paper, we aim to explore the possibility of learning invariant semantic features from graph-like structures in CDSC. Specifically, we present Graph Adaptive Semantic Transfer (GAST) model, an adaptive syntactic graph embedding method that is able to learn domain-invariant semantics from both word sequences and syntactic graphs. More specifically, we first raise a POS-Transformer module to extract sequential semantic features from the word sequences as well as the part-of-speech tags. Then, we design a Hybrid Graph Attention (HGAT) module to generate syntax-based semantic features by considering the transferable dependency relations. Finally, we devise an Integrated aDaptive Strategy (IDS) to guide the joint learning process of both modules. Extensive experiments on four public datasets indicate that GAST achieves comparable effectiveness to a range of state-of-the-art models.

Chao Zhang, Shiwei Wu, Sirui Zhao et al.

Affordance-centric Question-driven Task Completion (AQTC) for Egocentric Assistant introduces a groundbreaking scenario. In this scenario, through learning instructional videos, AI assistants provide users with step-by-step guidance on operating devices. In this paper, we present a solution for enhancing video alignment to improve multi-step inference. Specifically, we first utilize VideoCLIP to generate video-script alignment features. Afterwards, we ground the question-relevant content in instructional videos. Then, we reweight the multimodal context to emphasize prominent features. Finally, we adopt GRU to conduct multi-step inference. Through comprehensive experiments, we demonstrate the effectiveness and superiority of our method, which secured the 2nd place in CVPR'2023 AQTC challenge. Our code is available at https://github.com/zcfinal/LOVEU-CVPR23-AQTC.

Yan Zhuang, Qi Liu, Zachary A. Pardos et al.

As AI systems continue to evolve, their rigorous evaluation becomes crucial for their development and deployment. Researchers have constructed various large-scale benchmarks to determine their capabilities, typically against a gold-standard test set and report metrics averaged across all items. However, this static evaluation paradigm increasingly shows its limitations, including high evaluation costs, data contamination, and the impact of low-quality or erroneous items on evaluation reliability and efficiency. In this Position, drawing from human psychometrics, we discuss a paradigm shift from static evaluation methods to adaptive testing. This involves estimating the characteristics or value of each test item in the benchmark, and tailoring each model's evaluation instead of relying on a fixed test set. This paradigm provides robust ability estimation, uncovering the latent traits underlying a model's observed scores. This position paper analyze the current possibilities, prospects, and reasons for adopting psychometrics in AI evaluation. We argue that psychometrics, a theory originating in the 20th century for human assessment, could be a powerful solution to the challenges in today's AI evaluations.

Jie Ouyang, Yucong Luo, Mingyue Cheng et al.

This paper presents the solution of our team APEX in the Meta KDD CUP 2024: CRAG Comprehensive RAG Benchmark Challenge. The CRAG benchmark addresses the limitations of existing QA benchmarks in evaluating the diverse and dynamic challenges faced by Retrieval-Augmented Generation (RAG) systems. It provides a more comprehensive assessment of RAG performance and contributes to advancing research in this field. We propose a routing-based domain and dynamic adaptive RAG pipeline, which performs specific processing for the diverse and dynamic nature of the question in all three stages: retrieval, augmentation, and generation. Our method achieved superior performance on CRAG and ranked 2nd for Task 2&3 on the final competition leaderboard. Our implementation is available at this link: https://github.com/USTCAGI/CRAG-in-KDD-Cup2024.

Shuochen Liu, Junyi Zhu, Long Shu et al.

Empowering large language models with long-term memory is crucial for building agents that adapt to users' evolving needs. However, prior evaluations typically interleave preference-related dialogues with irrelevant conversations, reducing the task to needle-in-a-haystack retrieval while ignoring relationships between events that drive the evolution of user preferences. Such settings overlook a fundamental characteristic of real-world personalization: preferences emerge gradually and accumulate across interactions within noisy contexts. To bridge this gap, we introduce PERMA, a benchmark designed to evaluate persona consistency over time beyond static preference recall. Additionally, we incorporate (1) text variability and (2) linguistic alignment to simulate erratic user inputs and individual idiolects in real-world data. PERMA consists of temporally ordered interaction events spanning multiple sessions and domains, with preference-related queries inserted over time. We design both multiple-choice and interactive tasks to probe the model's understanding of persona along the interaction timeline. Experiments demonstrate that by linking related interactions, advanced memory systems can extract more precise preferences and reduce token consumption, outperforming traditional semantic retrieval of raw dialogues. Nevertheless, they still struggle to maintain a coherent persona across temporal depth and cross-domain interference, highlighting the need for more robust personalized memory management in agents. Our code and data are open-sourced at https://github.com/PolarisLiu1/PERMA.

Shuo Yu, Mingyue Cheng, Qi Liu et al.

Retrieval-augmented generation (RAG) is increasingly recognized as an effective approach to mitigating the hallucination of large language models (LLMs) through the integration of external knowledge. While numerous efforts, most studies focus on a single type of external knowledge source. However, in real-world applications, most situations involve diverse knowledge from various sources, yet this area has been less explored. The main dilemma is the lack of a suitable dataset containing multiple knowledge sources and pre-exploration of the associated issues. To address these challenges, we standardize a benchmark dataset that combines structured and unstructured knowledge across diverse and complementary domains. Based on this dataset, we further develop a plug-and-play RAG framework, \textbf{PruningRAG}, whose main characteristic is the use of multi-granularity pruning strategies to optimize the integration of relevant information while minimizing misleading context. It consistently improves performance across various existing RAG variants, demonstrating its robustness and broad applicability. Building upon the standardized dataset and PruningRAG, we also report a series of experimental results, as well as insightful findings. Our dataset and code are publicly available\footnote{https://github.com/USTCAGI/PruningRAG}, with the aim of advancing future research in the RAG community.

Mingjia Yin, Chuhan Wu, Yufei Wang et al.

Data is the cornerstone of large language models (LLMs), but not all data is useful for model learning. Carefully selected data can better elicit the capabilities of LLMs with much less computational overhead. Most methods concentrate on evaluating the quality of individual samples in data selection, while the combinatorial effects among samples are neglected. Even if each sample is of perfect quality, their combinations may be suboptimal in teaching LLMs due to their intrinsic homogeneity or contradiction. In this paper, we aim to uncover the underlying relationships between LLM performance and data selection. Inspired by the information compression nature of LLMs, we uncover an ``entropy law'' that connects LLM performance with data compression ratio and first-epoch training loss, which reflect the information redundancy of a dataset and the mastery of inherent knowledge encoded in this dataset, respectively. Through both theoretical deduction and empirical evaluation, we find that model performance is negatively correlated to the compression ratio of training data, which usually yields a lower training loss. Based on the findings of the entropy law, we propose a quite efficient and universal data selection method named \textbf{ZIP} for training LLMs, which aim to prioritize data subsets exhibiting a low compression ratio. Based on a multi-stage algorithm that selects diverse data in a greedy manner, we can obtain a good data subset with satisfactory diversity. Extensive experiments have been conducted to validate the entropy law and the superiority of ZIP across different LLM backbones and alignment stages. We also present an interesting application of entropy law that can detect potential performance risks at the beginning of model training.

Fengxian Dong, Zhi Zheng, Xiao Han et al.

Automated feature generation extracts informative features from raw tabular data without manual intervention and is crucial for accurate, generalizable machine learning. Traditional methods rely on predefined operator libraries and cannot leverage task semantics, limiting their ability to produce diverse, high-value features for complex tasks. Recent Large Language Model (LLM)-based approaches introduce richer semantic signals, but still suffer from a restricted feature space due to fixed generation patterns and from the absence of feedback from the learning objective. To address these challenges, we propose a Memory-Augmented LLM-based Multi-Agent System (\textbf{MALMAS}) for automated feature generation. MALMAS decomposes the generation process into agents with distinct responsibilities, and a Router Agent activates an appropriate subset of agents per iteration, further broadening exploration of the feature space. We further integrate a memory module comprising procedural memory, feedback memory, and conceptual memory, enabling iterative refinement that adaptively guides subsequent feature generation and improves feature quality and diversity. Extensive experiments on multiple public datasets against state-of-the-art baselines demonstrate the effectiveness of our approach. The code is available at https://github.com/fxdong24/MALMAS

Yichao Du, Weizhi Wang, Zhirui Zhang et al. · tencent-ai

End-to-End Speech Translation (E2E-ST) has received increasing attention due to the potential of its less error propagation, lower latency, and fewer parameters. However, the effectiveness of neural-based approaches to this task is severely limited by the available training corpus, especially for domain adaptation where in-domain triplet training data is scarce or nonexistent. In this paper, we propose a novel non-parametric method that leverages domain-specific text translation corpus to achieve domain adaptation for the E2E-ST system. To this end, we first incorporate an additional encoder into the pre-trained E2E-ST model to realize text translation modelling, and then unify the decoder's output representation for text and speech translation tasks by reducing the correspondent representation mismatch in available triplet training data. During domain adaptation, a k-nearest-neighbor (kNN) classifier is introduced to produce the final translation distribution using the external datastore built by the domain-specific text translation corpus, while the universal output representation is adopted to perform a similarity search. Experiments on the Europarl-ST benchmark demonstrate that when in-domain text translation data is involved only, our proposed approach significantly improves baseline by 12.82 BLEU on average in all translation directions, even outperforming the strong in-domain fine-tuning method.

Zaixi Zhang, Qi Liu, Zhenya Huang et al.

Many data mining tasks rely on graphs to model relational structures among individuals (nodes). Since relational data are often sensitive, there is an urgent need to evaluate the privacy risks in graph data. One famous privacy attack against data analysis models is the model inversion attack, which aims to infer sensitive data in the training dataset and leads to great privacy concerns. Despite its success in grid-like domains, directly applying model inversion attacks on non-grid domains such as graph leads to poor attack performance. This is mainly due to the failure to consider the unique properties of graphs. To bridge this gap, we conduct a systematic study on model inversion attacks against Graph Neural Networks (GNNs), one of the state-of-the-art graph analysis tools in this paper. Firstly, in the white-box setting where the attacker has full access to the target GNN model, we present GraphMI to infer the private training graph data. Specifically, in GraphMI, a projected gradient module is proposed to tackle the discreteness of graph edges and preserve the sparsity and smoothness of graph features; a graph auto-encoder module is used to efficiently exploit graph topology, node attributes, and target model parameters for edge inference; a random sampling module can finally sample discrete edges. Furthermore, in the hard-label black-box setting where the attacker can only query the GNN API and receive the classification results, we propose two methods based on gradient estimation and reinforcement learning (RL-GraphMI). Our experimental results show that such defenses are not sufficiently effective and call for more advanced defenses against privacy attacks.

Likang Wu, Zhi Li, Hongke Zhao et al.

Zero-Shot Learning (ZSL), which aims at automatically recognizing unseen objects, is a promising learning paradigm to understand new real-world knowledge for machines continuously. Recently, the Knowledge Graph (KG) has been proven as an effective scheme for handling the zero-shot task with large-scale and non-attribute data. Prior studies always embed relationships of seen and unseen objects into visual information from existing knowledge graphs to promote the cognitive ability of the unseen data. Actually, real-world knowledge is naturally formed by multimodal facts. Compared with ordinary structural knowledge from a graph perspective, multimodal KG can provide cognitive systems with fine-grained knowledge. For example, the text description and visual content can depict more critical details of a fact than only depending on knowledge triplets. Unfortunately, this multimodal fine-grained knowledge is largely unexploited due to the bottleneck of feature alignment between different modalities. To that end, we propose a multimodal intensive ZSL framework that matches regions of images with corresponding semantic embeddings via a designed dense attention module and self-calibration loss. It makes the semantic transfer process of our ZSL framework learns more differentiated knowledge between entities. Our model also gets rid of the performance limitation of only using rough global features. We conduct extensive experiments and evaluate our model on large-scale real-world data. The experimental results clearly demonstrate the effectiveness of the proposed model in standard zero-shot classification tasks.

Yongqiang Han, Likang Wu, Hao Wang et al.

Sequential Recommendation is a widely studied paradigm for learning users' dynamic interests from historical interactions for predicting the next potential item. Although lots of research work has achieved remarkable progress, they are still plagued by the common issues: data sparsity of limited supervised signals and data noise of accidentally clicking. To this end, several works have attempted to address these issues, which ignored the complex association of items across several sequences. Along this line, with the aim of learning representative item embedding to alleviate this dilemma, we propose GUESR, from the view of graph contrastive learning. Specifically, we first construct the Global Item Relationship Graph (GIRG) from all interaction sequences and present the Bucket-Cluster Sampling (BCS) method to conduct the sub-graphs. Then, graph contrastive learning on this reduced graph is developed to enhance item representations with complex associations from the global view. We subsequently extend the CapsNet module with the elaborately introduced target-attention mechanism to derive users' dynamic preferences. Extensive experimental results have demonstrated our proposed GUESR could not only achieve significant improvements but also could be regarded as a general enhancement strategy to improve the performance in combination with other sequential recommendation methods.

Chenwang Wu, Defu Lian, Yong Ge et al.

Factorization machines (FMs) are widely used in recommender systems due to their adaptability and ability to learn from sparse data. However, for the ubiquitous non-interactive features in sparse data, existing FMs can only estimate the parameters corresponding to these features via the inner product of their embeddings. Undeniably, they cannot learn the direct interactions of these features, which limits the model's expressive power. To this end, we first present MixFM, inspired by Mixup, to generate auxiliary training data to boost FMs. Unlike existing augmentation strategies that require labor costs and expertise to collect additional information such as position and fields, these extra data generated by MixFM only by the convex combination of the raw ones without any professional knowledge support. More importantly, if the parent samples to be mixed have non-interactive features, MixFM will establish their direct interactions. Second, considering that MixFM may generate redundant or even detrimental instances, we further put forward a novel Factorization Machine powered by Saliency-guided Mixup (denoted as SMFM). Guided by the customized saliency, SMFM can generate more informative neighbor data. Through theoretical analysis, we prove that the proposed methods minimize the upper bound of the generalization error, which hold a beneficial effect on enhancing FMs. Significantly, we give the first generalization bound of FM, implying the generalization requires more data and a smaller embedding size under the sufficient representation capability. Finally, extensive experiments on five datasets confirm that our approaches are superior to baselines. Besides, the results show that "poisoning" mixed data is likewise beneficial to the FM variants.

Xu Huang, Defu Lian, Jin Chen et al.

Deep recommender systems (DRS) are intensively applied in modern web services. To deal with the massive web contents, DRS employs a two-stage workflow: retrieval and ranking, to generate its recommendation results. The retriever aims to select a small set of relevant candidates from the entire items with high efficiency; while the ranker, usually more precise but time-consuming, is supposed to further refine the best items from the retrieved candidates. Traditionally, the two components are trained either independently or within a simple cascading pipeline, which is prone to poor collaboration effect. Though some latest works suggested to train retriever and ranker jointly, there still exist many severe limitations: item distribution shift between training and inference, false negative, and misalignment of ranking order. As such, it remains to explore effective collaborations between retriever and ranker.

Daoyu Wang, Qingchuan Li, Mingyue Cheng et al.

General agents have given rise to phenomenal applications such as OpenClaw and Claude Code. As these agent systems (a.k.a. Harnesses) strive for bolder goals, they demand increasingly stronger agentic capabilities from foundation Large Language Models (LLMs). Agentic Reinforcement Learning (RL) is emerging as a central post-training paradigm for empowering LLMs with these capabilities and is playing an increasingly pivotal role in agent training. Unlike single-turn token-level alignment or reasoning enhancement, as in RLHF and RLVR, Agentic RL targets multi-turn interactive settings, where the goal is to optimize core agentic capabilities such as decision making and tool use while addressing new challenges including delayed and sparse rewards, as well as long and variable context. As a result, the token-centric modeling and optimization paradigm inherited from traditional LLM RL is becoming increasingly inadequate for capturing real LLM agent behavior. In this paper, we present StepPO as a position on step-level Agentic RL. We argue that the conventional token-level Markov Decision Process (MDP) should be advanced to a step-level MDP formulation, and that the step, rather than the token, should be regarded as the proper action representation for LLM agents. We then propose step-level credit assignment as the natural optimization counterpart of this formulation, thereby aligning policy optimization and reward propagation with the granularity of agent decisions. Finally, we discuss the key systems designs required to realize step-level Agentic RL in practice and preliminary experiments provide initial evidence for the effectiveness of this perspective. We hope that the step-aligned, step-level paradigm embodied in StepPO offers the Agentic RL community a useful lens for understanding agent behavior and helps advance LLMs toward stronger general-agent capabilities.

Xuyang Zhi, Peilun zhou, Chengqiang Lu et al.

The evolution of Large Language Models (LLMs) is shifting the focus from single, verifiable tasks toward complex, open-ended real-world scenarios, imposing significant challenges on the post-training phase. In these settings, the scale and complexity of reward systems have grown significantly, transitioning toward multi-objective formulations that encompass a comprehensive spectrum of model capabilities and application contexts. However, traditional methods typically rely on fixed reward weights, ignoring non-stationary learning dynamics and struggling with data heterogeneity across dimensions. To address these issues, we propose SPARD, a framework that establishes an automated, self-paced curriculum by perceiving learning progress to dynamically adjust multi-objective reward weights and data importance, thereby synchronizing learning intent with data utility for optimal performance. Extensive experiments across multiple benchmarks demonstrate that SPARD significantly enhances model capabilities across all domains.

Jiaqing Zhang, Mingjia Yin, Hao Wang et al.

Recommendation model performance is intrinsically tied to the quality, volume, and relevance of their training data. To address common challenges like data sparsity and cold start, recent researchs have leveraged data from multiple auxiliary domains to enrich information within the target domain. However, inherent domain gaps can degrade the quality of mixed-domain data, leading to negative transfer and diminished model performance. Existing prevailing \emph{model-centric} paradigm -- which relies on complex, customized architectures -- struggles to capture the subtle, non-structural sequence dependencies across domains, leading to poor generalization and high demands on computational resources. To address these shortcomings, we propose \textsc{Taesar}, a \emph{data-centric} framework for \textbf{t}arget-\textbf{a}lign\textbf{e}d \textbf{s}equenti\textbf{a}l \textbf{r}egeneration, which employs a contrastive decoding mechanism to adaptively encode cross-domain context into target-domain sequences. It employs contrastive decoding to encode cross-domain context into target sequences, enabling standard models to learn intricate dependencies without complex fusion architectures. Experiments show \textsc{Taesar} outperforms model-centric solutions and generalizes to various sequential models. By generating enriched datasets, \textsc{Taesar} effectively combines the strengths of data- and model-centric paradigms. The code accompanying this paper is available at~ \textcolor{blue}{https://github.com/USTC-StarTeam/Taesar}.

Kun Zhang, Le Wu, Guangyi Lv et al.

Text Classification is one of the fundamental tasks in natural language processing, which requires an agent to determine the most appropriate category for input sentences. Recently, deep neural networks have achieved impressive performance in this area, especially Pre-trained Language Models (PLMs). Usually, these methods concentrate on input sentences and corresponding semantic embedding generation. However, for another essential component: labels, most existing works either treat them as meaningless one-hot vectors or use vanilla embedding methods to learn label representations along with model training, underestimating the semantic information and guidance that these labels reveal. To alleviate this problem and better exploit label information, in this paper, we employ Self-Supervised Learning (SSL) in model learning process and design a novel self-supervised Relation of Relation (R2) classification task for label utilization from a one-hot manner perspective. Then, we propose a novel Relation of Relation Learning Network (R2-Net) for text classification, in which text classification and R2 classification are treated as optimization targets. Meanwhile, triplet loss is employed to enhance the analysis of differences and connections among labels. Moreover, considering that one-hot usage is still short of exploiting label information, we incorporate external knowledge from WordNet to obtain multi-aspect descriptions for label semantic learning and extend R2-Net to a novel Description-Enhanced Label Embedding network (DELE) from a label embedding perspective. ...

Qi Liu, Zheng Gong, Zhenya Huang et al.

Machine learning algorithms have become ubiquitous in a number of applications (e.g. image classification). However, due to the insufficient measurement of traditional metrics (e.g. the coarse-grained Accuracy of each classifier), substantial gaps are usually observed between the real-world performance of these algorithms and their scores in standardized evaluations. In this paper, inspired by the psychometric theories from human measurement, we propose a task-agnostic evaluation framework Camilla, where a multi-dimensional diagnostic metric Ability is defined for collaboratively measuring the multifaceted strength of each machine learning algorithm. Specifically, given the response logs from different algorithms to data samples, we leverage cognitive diagnosis assumptions and neural networks to learn the complex interactions among algorithms, samples and the skills (explicitly or implicitly pre-defined) of each sample. In this way, both the abilities of each algorithm on multiple skills and some of the sample factors (e.g. sample difficulty) can be simultaneously quantified. We conduct extensive experiments with hundreds of machine learning algorithms on four public datasets, and our experimental results demonstrate that Camilla not only can capture the pros and cons of each algorithm more precisely, but also outperforms state-of-the-art baselines on the metric reliability, rank consistency and rank stability.

Shuanghong Shen, Enhong Chen, Bihan Xu et al.

Knowledge tracing (KT) aims to assess individuals' evolving knowledge states according to their learning interactions with different exercises in online learning systems (OIS), which is critical in supporting decision-making for subsequent intelligent services, such as personalized learning source recommendation. Existing researchers have broadly studied KT and developed many effective methods. However, most of them assume that students' historical interactions are uniformly distributed in a continuous sequence, ignoring the fact that actual interaction sequences are organized based on a series of quizzes with clear boundaries, where interactions within a quiz are consecutively completed, but interactions across different quizzes are discrete and may be spaced over days. In this paper, we present the Quiz-based Knowledge Tracing (QKT) model to monitor students' knowledge states according to their quiz-based learning interactions. Specifically, as students' interactions within a quiz are continuous and have the same or similar knowledge concepts, we design the adjacent gate followed by a global average pooling layer to capture the intra-quiz short-term knowledge influence. Then, as various quizzes tend to focus on different knowledge concepts, we respectively measure the inter-quiz knowledge substitution by the gated recurrent unit and the inter-quiz knowledge complementarity by the self-attentive encoder with a novel recency-aware attention mechanism. Finally, we integrate the inter-quiz long-term knowledge substitution and complementarity across different quizzes to output students' evolving knowledge states. Extensive experimental results on three public real-world datasets demonstrate that QKT achieves state-of-the-art performance compared to existing methods. Further analyses confirm that QKT is promising in designing more effective quizzes.

Fei Wang, Weibo Gao, Qi Liu et al.

Cognitive diagnosis has been developed for decades as an effective measurement tool to evaluate human cognitive status such as ability level and knowledge mastery. It has been applied to a wide range of fields including education, sport, psychological diagnosis, etc. By providing better awareness of cognitive status, it can serve as the basis for personalized services such as well-designed medical treatment, teaching strategy and vocational training. This paper aims to provide a survey of current models for cognitive diagnosis, with more attention on new developments using machine learning-based methods. By comparing the model structures, parameter estimation algorithms, model evaluation methods and applications, we provide a relatively comprehensive review of the recent trends in cognitive diagnosis models. Further, we discuss future directions that are worthy of exploration. In addition, we release two Python libraries: EduData for easy access to some relevant public datasets we have collected, and EduCDM that implements popular CDMs to facilitate both applications and research purposes.

Chuang Zhao, Hongke Zhao, Hengshu Zhu et al.

Unsupervised domain adaptation aims to transfer rich knowledge from the annotated source domain to the unlabeled target domain with the same label space. One prevalent solution is the bi-discriminator domain adversarial network, which strives to identify target domain samples outside the support of the source domain distribution and enforces their classification to be consistent on both discriminators. Despite being effective, agnostic accuracy and overconfident estimation for out-of-distribution samples hinder its further performance improvement. To address the above challenges, we propose a novel bi-discriminator domain adversarial neural network with class-level gradient alignment, i.e. BACG. BACG resorts to gradient signals and second-order probability estimation for better alignment of domain distributions. Specifically, for accuracy-awareness, we first design an optimizable nearest neighbor algorithm to obtain pseudo-labels of samples in the target domain, and then enforce the backward gradient approximation of the two discriminators at the class level. Furthermore, following evidential learning theory, we transform the traditional softmax-based optimization method into a Multinomial Dirichlet hierarchical model to infer the class probability distribution as well as samples uncertainty, thereby alleviating misestimation of out-of-distribution samples and guaranteeing high-quality classes alignment. In addition, inspired by contrastive learning, we develop a memory bank-based variant, i.e. Fast-BACG, which can greatly shorten the training process at the cost of a minor decrease in accuracy. Extensive experiments and detailed theoretical analysis on four benchmark data sets validate the effectiveness and robustness of our algorithm.

Hang Lv, Hongchao Gu, Ruiqing Yang et al.

Generative listwise reranking leverages global context for superior retrieval but is plagued by intrinsic position bias, where models exhibit structural sensitivity to input order independent of relevance. Existing mitigations present a dilemma: inference-time aggregation incurs prohibitive latency, while training-based methods often fail to eradicate ingrained priors, particularly in compact models. To resolve this dilemma, we propose CapCal (Content-Agnostic Probability Calibration), a training-free framework that mechanically decouples positional bias from ranking decisions. By estimating the bias distribution via content-free placeholders, CapCal rectifies output logits through an entropy-adaptive contrastive mechanism. Evaluations across 10 benchmarks confirm that CapCal achieves superior performance among training-free methods while preserving single-pass efficiency. Notably, it unlocks the latent potential of lightweight models (e.g., 0.6B), delivering absolute NDCG gains exceeding 10 points and outperforming both permutation-based aggregation and data-augmentation baselines.

Mingyue Cheng, Daoyu Wang, Qi Liu et al.

Synthesizing informative commercial reports from massive and noisy web sources is critical for high-stakes business decisions. Although current deep research agents achieve notable progress, their reports still remain limited in terms of quality, reliability, and coverage. In this work, we propose Mind2Report, a cognitive deep research agent that emulates the commercial analyst to synthesize expert-level reports. Specifically, it first probes fine-grained intent, then searches web sources and records distilled information on the fly, and subsequently iteratively synthesizes the report. We design Mind2Report as a training-free agentic workflow that augments general large language models (LLMs) with dynamic memory to support these long-form cognitive processes. To rigorously evaluate Mind2Report, we further construct QRC-Eval comprising 200 real-world commercial tasks and establish a holistic evaluation strategy to assess report quality, reliability, and coverage. Experiments demonstrate that Mind2Report outperforms leading baselines, including OpenAI and Gemini deep research agents. Although this is a preliminary study, we expect it to serve as a foundation for advancing the future design of commercial deep research agents. Our code and data are available at https://github.com/Melmaphother/Mind2Report.

Zaixi Zhang, Qi Liu, Chee-Kong Lee et al.

Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine learning-based generative models have emerged as promising approaches for \emph{de novo} molecule design. However, further refinement of methodology is highly desired as most existing methods lack unified modeling of 2D topology and 3D geometry information and fail to effectively learn the structure-property relationship for molecule design. Here we present MolCode, a roto-translation equivariant generative framework for \underline{Mol}ecular graph-structure \underline{Co-de}sign. In MolCode, 3D geometric information empowers the molecular 2D graph generation, which in turn helps guide the prediction of molecular 3D structure. Extensive experimental results show that MolCode outperforms previous methods on a series of challenging tasks including \emph{de novo} molecule design, targeted molecule discovery, and structure-based drug design. Particularly, MolCode not only consistently generates valid (99.95$\%$ Validity) and diverse (98.75$\%$ Uniqueness) molecular graphs/structures with desirable properties, but also generate drug-like molecules with high affinity to target proteins (61.8$\%$ high-affinity ratio), which demonstrates MolCode's potential applications in material design and drug discovery. Our extensive investigation reveals that the 2D topology and 3D geometry contain intrinsically complementary information in molecule design, and provide new insights into machine learning-based molecule representation and generation.

Hang Lv, Sheng Liang, Hongchao Gu et al.

Information Extraction aims to distill structured, decision-relevant information from unstructured text, serving as a foundation for downstream understanding and reasoning. However, it is traditionally treated merely as a terminal objective: once extracted, the resulting structure is often consumed in isolation rather than maintained and reused during multi-step inference. Moving beyond this, we propose \textit{IE-as-Cache}, a framework that repurposes IE as a cognitive cache to enhance agentic reasoning. Drawing inspiration from hierarchical computer memory, our approach combines query-driven extraction with cache-aware reasoning to dynamically maintain compact intermediate information and filter noise. Experiments on challenging benchmarks across diverse LLMs demonstrate significant improvements in reasoning accuracy, indicating that IE can be effectively repurposed as a reusable cognitive resource and offering a promising direction for future research on downstream uses of IE.

Qingyang Wang, Defu Lian, Chenwang Wu et al.

Recommender systems are often susceptible to well-crafted fake profiles, leading to biased recommendations. The wide application of recommender systems makes studying the defense against attack necessary. Among existing defense methods, data-processing-based methods inevitably exclude normal samples, while model-based methods struggle to enjoy both generalization and robustness. Considering the above limitations, we suggest integrating data processing and robust model and propose a general framework, Triple Cooperative Defense (TCD), which cooperates to improve model robustness through the co-training of three models. Specifically, in each round of training, we sequentially use the high-confidence prediction ratings (consistent ratings) of any two models as auxiliary training data for the remaining model, and the three models cooperatively improve recommendation robustness. Notably, TCD adds pseudo label data instead of deleting abnormal data, which avoids the cleaning of normal data, and the cooperative training of the three models is also beneficial to model generalization. Through extensive experiments with five poisoning attacks on three real-world datasets, the results show that the robustness improvement of TCD significantly outperforms baselines. It is worth mentioning that TCD is also beneficial for model generalizations.

Junzhe Jiang, Mingyue Cheng, Qi Liu et al.

Recognizing useful named entities plays a vital role in medical information processing, which helps drive the development of medical area research. Deep learning methods have achieved good results in medical named entity recognition (NER). However, we find that existing methods face great challenges when dealing with the nested named entities. In this work, we propose a novel method, referred to as ASAC, to solve the dilemma caused by the nested phenomenon, in which the core idea is to model the dependency between different categories of entity recognition. The proposed method contains two key modules: the adaptive shared (AS) part and the attentive conditional random field (ACRF) module. The former part automatically assigns adaptive weights across each task to achieve optimal recognition accuracy in the multi-layer network. The latter module employs the attention operation to model the dependency between different entities. In this way, our model could learn better entity representations by capturing the implicit distinctions and relationships between different categories of entities. Extensive experiments on public datasets verify the effectiveness of our method. Besides, we also perform ablation analyses to deeply understand our methods.

Likang Wu, Junji Jiang, Hongke Zhao et al.

Recently, Zero-Shot Node Classification (ZNC) has been an emerging and crucial task in graph data analysis. This task aims to predict nodes from unseen classes which are unobserved in the training process. Existing work mainly utilizes Graph Neural Networks (GNNs) to associate features' prototypes and labels' semantics thus enabling knowledge transfer from seen to unseen classes. However, the multi-faceted semantic orientation in the feature-semantic alignment has been neglected by previous work, i.e. the content of a node usually covers diverse topics that are relevant to the semantics of multiple labels. It's necessary to separate and judge the semantic factors that tremendously affect the cognitive ability to improve the generality of models. To this end, we propose a Knowledge-Aware Multi-Faceted framework (KMF) that enhances the richness of label semantics via the extracted KG (Knowledge Graph)-based topics. And then the content of each node is reconstructed to a topic-level representation that offers multi-faceted and fine-grained semantic relevancy to different labels. Due to the particularity of the graph's instance (i.e., node) representation, a novel geometric constraint is developed to alleviate the problem of prototype drift caused by node information aggregation. Finally, we conduct extensive experiments on several public graph datasets and design an application of zero-shot cross-domain recommendation. The quantitative results demonstrate both the effectiveness and generalization of KMF with the comparison of state-of-the-art baselines.

Xianglong Shi, Silin Cheng, Sirui Zhao et al.

Existing Weakly-Supervised Referring Expression Comprehension (WREC) methods, while effective, are fundamentally limited by a one-to-one mapping assumption, hindering their ability to handle expressions corresponding to zero or multiple targets in realistic scenarios. To bridge this gap, we introduce the Weakly-Supervised Generalized Referring Expression Comprehension task (WGREC), a more practical paradigm that handles expressions with variable numbers of referents. However, extending WREC to WGREC presents two fundamental challenges: supervisory signal ambiguity, where weak image-level supervision is insufficient for training a model to infer the correct number and identity of referents, and semantic representation collapse, where standard Euclidean similarity forces hierarchically-related concepts into non-discriminative clusters, blurring categorical boundaries. To tackle these challenges, we propose a novel WGREC framework named Linguistic Instance-Split Hyperbolic-Euclidean (LIHE), which operates in two stages. The first stage, Referential Decoupling, predicts the number of target objects and decomposes the complex expression into simpler sub-expressions. The second stage, Referent Grounding, then localizes these sub-expressions using HEMix, our innovative hybrid similarity module that synergistically combines the precise alignment capabilities of Euclidean proximity with the hierarchical modeling strengths of hyperbolic geometry. This hybrid approach effectively prevents semantic collapse while preserving fine-grained distinctions between related concepts. Extensive experiments demonstrate LIHE establishes the first effective weakly supervised WGREC baseline on gRefCOCO and Ref-ZOM, while HEMix achieves consistent improvements on standard REC benchmarks, improving IoU@0.5 by up to 2.5\%. The code is available at https://anonymous.4open.science/r/LIHE.