Large Language Model (LLM) agents frameworks often employ modular architectures, incorporating components such as planning, reasoning, action execution, and reflection to tackle complex tasks. However, quantifying the contribution of each module to overall system performance remains a significant challenge, impeding optimization and interpretability. To address this, we introduce CapaBench (Capability-level Assessment Benchmark), an evaluation framework grounded in cooperative game theory's Shapley Value, which systematically measures the marginal impact of individual modules and their interactions within an agent's architecture. By replacing default modules with test variants across all possible combinations, CapaBench provides a principle method for attributing performance contributions. Key contributions include: (1) We are the first to propose a Shapley Value-based methodology for quantifying the contributions of capabilities in LLM agents; (2) Modules with high Shapley Values consistently lead to predictable performance gains when combined, enabling targeted optimization; and (3) We build a multi-round dataset of over 1,500 entries spanning diverse domains and practical task scenarios, enabling comprehensive evaluation of agent capabilities. CapaBench bridges the gap between component-level evaluation and holistic system assessment, providing actionable insights for optimizing modular LLM agents and advancing their deployment in complex, real-world scenarios.

This paper is the first-place solution for ICASSP MEIJU@2025 Track I, which focuses on low-resource multimodal emotion and intention recognition. How to effectively utilize a large amount of unlabeled data, while ensuring the mutual promotion of different difficulty levels tasks in the interaction stage, these two points become the key to the competition. In this paper, pseudo-label labeling is carried out on the model trained with labeled data, and samples with high confidence and their labels are selected to alleviate the problem of low resources. At the same time, the characteristic of easy represented ability of intention recognition found in the experiment is used to make mutually promote with emotion recognition under different attention heads, and higher performance of intention recognition is achieved through fusion. Finally, under the refined processing data, we achieve the score of 0.5532 in the Test set, and win the championship of the track.

Traffic congestion in metropolitan areas presents a formidable challenge with far-reaching economic, environmental, and societal ramifications. Therefore, effective congestion management is imperative, with traffic signal control (TSC) systems being pivotal in this endeavor. Conventional TSC systems, designed upon rule-based algorithms or reinforcement learning (RL), frequently exhibit deficiencies in managing the complexities and variabilities of urban traffic flows, constrained by their limited capacity for adaptation to unfamiliar scenarios. In response to these limitations, this work introduces an innovative approach that integrates Large Language Models (LLMs) into TSC, harnessing their advanced reasoning and decision-making faculties. Specifically, a hybrid framework that augments LLMs with a suite of perception and decision-making tools is proposed, facilitating the interrogation of both the static and dynamic traffic information. This design places the LLM at the center of the decision-making process, combining external traffic data with established TSC methods. Moreover, a simulation platform is developed to corroborate the efficacy of the proposed framework. The findings from our simulations attest to the system's adeptness in adjusting to a multiplicity of traffic environments without the need for additional training. Notably, in cases of Sensor Outage (SO), our approach surpasses conventional RL-based systems by reducing the average waiting time by $20.4\%$. This research signifies a notable advance in TSC strategies and paves the way for the integration of LLMs into real-world, dynamic scenarios, highlighting their potential to revolutionize traffic management. The related code is available at https://github.com/Traffic-Alpha/LLM-Assisted-Light.

Online service platforms offering a wide range of services through miniapps have become crucial for users who visit these platforms with clear intentions to find services they are interested in. Aiming at effective content delivery, cross-domain recommendation are introduced to learn high-quality representations by transferring behaviors from data-rich scenarios. However, these methods overlook the impact of the decision path that users take when conduct behaviors, that is, users ultimately exhibit different behaviors based on various intents. To this end, we propose HIER, a novel Hierarchical decIsion path Enhanced Representation learning for cross-domain recommendation. With the help of graph neural networks for high-order topological information of the knowledge graph between multi-source behaviors, we further adaptively learn decision paths through well-designed exemplar-level and information bottleneck based contrastive learning. Extensive experiments in online and offline environments show the superiority of HIER.

Large Language Models (LLMs) are undergoing a period of rapid updates and changes, with state-of-the-art (SOTA) model frequently being replaced. When applying LLMs to a specific scientific field, it's challenging to acquire unique domain knowledge while keeping the model itself advanced. To address this challenge, a sophisticated large language model system named as Xiwu has been developed, allowing you switch between the most advanced foundation models and quickly teach the model domain knowledge. In this work, we will report on the best practices for applying LLMs in the field of high-energy physics (HEP), including: a seed fission technology is proposed and some data collection and cleaning tools are developed to quickly obtain domain AI-Ready dataset; a just-in-time learning system is implemented based on the vector store technology; an on-the-fly fine-tuning system has been developed to facilitate rapid training under a specified foundation model. The results show that Xiwu can smoothly switch between foundation models such as LLaMA, Vicuna, ChatGLM and Grok-1. The trained Xiwu model is significantly outperformed the benchmark model on the HEP knowledge question-and-answering and code generation. This strategy significantly enhances the potential for growth of our model's performance, with the hope of surpassing GPT-4 as it evolves with the development of open-source models. This work provides a customized LLM for the field of HEP, while also offering references for applying LLM to other fields, the corresponding codes are available on Github.

Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial interactions and often produce undesirable molecular structures. To address these challenges, we introduce Lingo3DMol, a pocket-based 3D molecule generation method that combines language models and geometric deep learning technology. A new molecular representation, fragment-based SMILES with local and global coordinates, was developed to assist the model in learning molecular topologies and atomic spatial positions. Additionally, we trained a separate noncovalent interaction predictor to provide essential binding pattern information for the generative model. Lingo3DMol can efficiently traverse drug-like chemical spaces, preventing the formation of unusual structures. The Directory of Useful Decoys-Enhanced (DUD-E) dataset was used for evaluation. Lingo3DMol outperformed state-of-the-art methods in terms of drug-likeness, synthetic accessibility, pocket binding mode, and molecule generation speed.

In this paper, we highlight that both conformity and risk preference matter in making fund investment decisions beyond personal interest and seek to jointly characterize these aspects in a disentangled manner. Consequently, we develop a novel M ulti-granularity Graph Disentangled Learning framework named MGDL to effectively perform intelligent matching of fund investment products. Benefiting from the well-established fund graph and the attention module, multi-granularity user representations are derived from historical behaviors to separately express personal interest, conformity and risk preference in a fine-grained way. To attain stronger disentangled representations with specific semantics, MGDL explicitly involve two self-supervised signals, i.e., fund type based contrasts and fund popularity. Extensive experiments in offline and online environments verify the effectiveness of MGDL.

Most image captioning models following an autoregressive manner suffer from significant inference latency. Several models adopted a non-autoregressive manner to speed up the process. However, the vanilla non-autoregressive manner results in subpar performance, since it generates all words simultaneously, which fails to capture the relationships between words in a description. The semi-autoregressive manner employs a partially parallel method to preserve performance, but it sacrifices inference speed. In this paper, we introduce a fast and flexible framework for image captioning called BoFiCap based on bounding and filling techniques. The BoFiCap model leverages the inherent characteristics of image captioning tasks to pre-define bounding boxes for image regions and their relationships. Subsequently, the BoFiCap model fills corresponding words in each box using two-generation manners. Leveraging the box hints, our filling process allows each word to better perceive other words. Additionally, our model offers flexible image description generation: 1) by employing different generation manners based on speed or performance requirements, 2) producing varied sentences based on user-specified boxes. Experimental evaluations on the MS-COCO benchmark dataset demonstrate that our framework in a non-autoregressive manner achieves the state-of-the-art on task-specific metric CIDEr (125.6) while speeding up 9.22x than the baseline model with an autoregressive manner; in a semi-autoregressive manner, our method reaches 128.4 on CIDEr while a 3.69x speedup. Our code and data is available at https://github.com/ChangxinWang/BoFiCap.

Irregular data in real-world are usually organized as heterogeneous graphs (HGs) consisting of multiple types of nodes and edges. To explore useful knowledge from real-world data, both the large-scale encyclopedic HG datasets and corresponding effective learning methods are crucial, but haven't been well investigated. In this paper, we construct a large-scale HG benchmark dataset named UniKG from Wikidata to facilitate knowledge mining and heterogeneous graph representation learning. Overall, UniKG contains more than 77 million multi-attribute entities and 2000 diverse association types, which significantly surpasses the scale of existing HG datasets. To perform effective learning on the large-scale UniKG, two key measures are taken, including (i) the semantic alignment strategy for multi-attribute entities, which projects the feature description of multi-attribute nodes into a common embedding space to facilitate node aggregation in a large receptive field; (ii) proposing a novel plug-and-play anisotropy propagation module (APM) to learn effective multi-hop anisotropy propagation kernels, which extends methods of large-scale homogeneous graphs to heterogeneous graphs. These two strategies enable efficient information propagation among a tremendous number of multi-attribute entities and meantimes adaptively mine multi-attribute association through the multi-hop aggregation in large-scale HGs. We set up a node classification task on our UniKG dataset, and evaluate multiple baseline methods which are constructed by embedding our APM into large-scale homogenous graph learning methods. Our UniKG dataset and the baseline codes have been released at https://github.com/Yide-Qiu/UniKG.

Chemical reactions are the fundamental building blocks of drug design and organic chemistry research. In recent years, there has been a growing need for a large-scale deep-learning framework that can efficiently capture the basic rules of chemical reactions. In this paper, we have proposed a unified framework that addresses both the reaction representation learning and molecule generation tasks, which allows for a more holistic approach. Inspired by the organic chemistry mechanism, we develop a novel pretraining framework that enables us to incorporate inductive biases into the model. Our framework achieves state-of-the-art results on challenging downstream tasks. By possessing chemical knowledge, our generative framework overcome the limitations of current molecule generation models that rely on a small number of reaction templates. In the extensive experiments, our model generates synthesizable drug-like structures of high quality. Overall, our work presents a significant step toward a large-scale deep-learning framework for a variety of reaction-based applications. Deep learning models have found applications across a multitude of scientific research domains [1-3]. Pretraining frameworks [4, 5] facilitate the seamless integration of new tasks, thereby expediting the modeling process, especially for scenarios with limited labeled data. Chemical reactions are the foundation of drug design and organic chemistry studies. Currently, data-mining works [6, 7] have enabled deep learning models to be applied to chemical reactions. Based on these data, there have been plenty of data-driven works that intend to delve into the representation learning of chemical reactions. Representation learning refers to automatically learning useful features from the data, which can then be used for various downstream tasks [8]. In earlier works, traditional molecular fingerprints were applied directly for reaction representations[9, 10]. Inspired by natural language processing (NLP) methods, researchers also applied attention-based network[11, 12] or contrastive learning techniques[13, 14] in chemical reaction pretraining networks. These representations have been tested on classification tasks[15] or regression tasks[16]. However, these methods ignore the fundamental theories in organic chemistry, which limits their performance. For example, electronic effects and inductive effects will be ignored if bonds or atoms outside the reactive centers are masked [13]. Except for reaction classification tasks, molecule generation based on chemical reactions is also an important application. This branch of models has been proven to be capable of generating synthetically accessible molecules.[17-20]. Earlier works always applied a step-wise template-based molecule generation strategy.