Xiao-Yong Wei

Xiao Wang, Guangyao Chen, Guangwu Qian et al.

With the urgent demand for generalized deep models, many pre-trained big models are proposed, such as BERT, ViT, GPT, etc. Inspired by the success of these models in single domains (like computer vision and natural language processing), the multi-modal pre-trained big models have also drawn more and more attention in recent years. In this work, we give a comprehensive survey of these models and hope this paper could provide new insights and helps fresh researchers to track the most cutting-edge works. Specifically, we firstly introduce the background of multi-modal pre-training by reviewing the conventional deep learning, pre-training works in natural language process, computer vision, and speech. Then, we introduce the task definition, key challenges, and advantages of multi-modal pre-training models (MM-PTMs), and discuss the MM-PTMs with a focus on data, objectives, network architectures, and knowledge enhanced pre-training. After that, we introduce the downstream tasks used for the validation of large-scale MM-PTMs, including generative, classification, and regression tasks. We also give visualization and analysis of the model parameters and results on representative downstream tasks. Finally, we point out possible research directions for this topic that may benefit future works. In addition, we maintain a continuously updated paper list for large-scale pre-trained multi-modal big models: https://github.com/wangxiao5791509/MultiModal_BigModels_Survey. This paper has been published by the journal Machine Intelligence Research (MIR), https://link.springer.com/article/10.1007/s11633-022-1410-8, DOI: 10.1007/s11633-022-1410-8, vol. 20, no. 4, pp. 447-482, 2023.

Jiatong Li, Yunqing Liu, Wenqi Fan et al.

Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or suffer from sub-optimal performance. On the other hand, Large Language Models (LLMs), like ChatGPT, have shown remarkable performance in various cross-modal tasks due to their powerful capabilities in natural language understanding, generalization, and in-context learning (ICL), which provides unprecedented opportunities to advance molecule discovery. Despite several previous works trying to apply LLMs in this task, the lack of domain-specific corpus and difficulties in training specialized LLMs still remain challenges. In this work, we propose a novel LLM-based framework (MolReGPT) for molecule-caption translation, where an In-Context Few-Shot Molecule Learning paradigm is introduced to empower molecule discovery with LLMs like ChatGPT to perform their in-context learning capability without domain-specific pre-training and fine-tuning. MolReGPT leverages the principle of molecular similarity to retrieve similar molecules and their text descriptions from a local database to enable LLMs to learn the task knowledge from context examples. We evaluate the effectiveness of MolReGPT on molecule-caption translation, including molecule understanding and text-based molecule generation. Experimental results show that compared to fine-tuned models, MolReGPT outperforms MolT5-base and is comparable to MolT5-large without additional training. To the best of our knowledge, MolReGPT is the first work to leverage LLMs via in-context learning in molecule-caption translation for advancing molecule discovery. Our work expands the scope of LLM applications, as well as providing a new paradigm for molecule discovery and design.

Pengfeng Li, Chen Huang, Chaoqun Hao et al.

Contextual causal reasoning is a critical yet challenging capability for Large Language Models (LLMs). Existing benchmarks, however, often evaluate this skill in fragmented settings, failing to ensure context consistency or cover the full causal hierarchy. To address this, we pioneer METER to systematically benchmark LLMs across all three levels of the causal ladder under a unified context setting. Our extensive evaluation of various LLMs reveals a significant decline in proficiency as tasks ascend the causal hierarchy. To diagnose this degradation, we conduct a deep mechanistic analysis via both error pattern identification and internal information flow tracing. Our analysis reveals two primary failure modes: (1) LLMs are susceptible to distraction by causally irrelevant but factually correct information at lower level of causality; and (2) as tasks ascend the causal hierarchy, faithfulness to the provided context degrades, leading to a reduced performance. We belive our work advances our understanding of the mechanisms behind LLM contextual causal reasoning and establishes a critical foundation for future research. Our code and dataset are available at https://github.com/SCUNLP/METER .

Jinhao Shen, Haoqian Du, Xulu Zhang et al.

Text-guided image editing, a pivotal task in modern multimedia content creation, has seen remarkable progress with training-free methods that eliminate the need for additional optimization. Despite recent progress, existing methods are typically constrained by a competitive paradigm in which the editing and reconstruction branches are independently driven by their respective objectives to maximize alignment with target and source prompts. The adversarial strategy causes semantic conflicts and unpredictable outcomes due to the lack of coordination between branches. To overcome these issues, we propose Coopetitive Training-Free Image Editing (CoEdit), a novel zero-shot framework that transforms attention control from competition to coopetitive negotiation, achieving editing harmony across spatial and temporal dimensions. Spatially, CoEdit introduces Dual-Entropy Attention Manipulation, which quantifies directional entropic interactions between branches to reformulate attention control as a harmony-maximization problem, eventually improving the localization of editable and preservable regions. Temporally, we present Entropic Latent Refinement mechanism to dynamically adjust latent representations over time, minimizing accumulated editing errors and ensuring consistent semantic transitions throughout the denoising trajectory. Additionally, we propose the Fidelity-Constrained Editing Score, a composite metric that jointly evaluates semantic editing and background fidelity. Extensive experiments on standard benchmarks demonstrate that CoEdit achieves superior performance in both editing quality and structural preservation, enhancing multimedia information utilization by enabling more effective interaction between visual and textual modalities. The code will be available at https://github.com/JinhaoShen/CoEdit.

Yiyang Jiang, Li Zhang, Xiao-Yong Wei et al.

Many SLT systems quietly assume that brief chunks of signing map directly to spoken-language words. That assumption breaks down because signers often create meaning on the fly using context, space, and movement. We revisit SLT and argue that it is mainly a cross-modal reasoning task, not just a straightforward video-to-text conversion. We thus introduce a reasoning-driven SLT framework that uses an ordered sequence of latent thoughts as an explicit middle layer between the video and the generated text. These latent thoughts gradually extract and organize meaning over time. On top of this, we use a plan-then-ground decoding method: the model first decides what it wants to say, and then looks back at the video to find the evidence. This separation improves coherence and faithfulness. We also built and released a new large-scale gloss-free SLT dataset with stronger context dependencies and more realistic meanings. Experiments across several benchmarks show consistent gains over existing gloss-free methods. Our code and data are available at https://github.com/fletcherjiang/SignThought.

Shijie Wang, Wenqi Fan, Xiao-yong Wei et al.

The rise of online social networks has facilitated the evolution of social recommender systems, which incorporate social relations to enhance users' decision-making process. With the great success of Graph Neural Networks (GNNs) in learning node representations, GNN-based social recommendations have been widely studied to model user-item interactions and user-user social relations simultaneously. Despite their great successes, recent studies have shown that these advanced recommender systems are highly vulnerable to adversarial attacks, in which attackers can inject well-designed fake user profiles to disrupt recommendation performances. While most existing studies mainly focus on argeted attacks to promote target items on vanilla recommender systems, untargeted attacks to degrade the overall prediction performance are less explored on social recommendations under a black-box scenario. To perform untargeted attacks on social recommender systems, attackers can construct malicious social relationships for fake users to enhance the attack performance. However, the coordination of social relations and item profiles is challenging for attacking black-box social recommendations. To address this limitation, we first conduct several preliminary studies to demonstrate the effectiveness of cross-community connections and cold-start items in degrading recommendations performance. Specifically, we propose a novel framework MultiAttack based on multi-agent reinforcement learning to coordinate the generation of cold-start item profiles and cross-community social relations for conducting untargeted attacks on black-box social recommendations. Comprehensive experiments on various real-world datasets demonstrate the effectiveness of our proposed attacking framework under the black-box setting.

Zhuoyue Wan, Wentao Hu, Chen Jason Zhang et al.

Bridging natural language and structured query languages is a long-standing challenge in the database community. While recent advances in language models have shown promise in this direction, existing solutions often rely on large-scale closed-source models that suffer from high inference costs, limited transparency, and lack of adaptability for lightweight deployment. In this paper, we present OsmT, an open-source tag-aware language model specifically designed to bridge natural language and Overpass Query Language (OverpassQL), a structured query language for accessing large-scale OpenStreetMap (OSM) data. To enhance the accuracy and structural validity of generated queries, we introduce a Tag Retrieval Augmentation (TRA) mechanism that incorporates contextually relevant tag knowledge into the generation process. This mechanism is designed to capture the hierarchical and relational dependencies present in the OSM database, addressing the topological complexity inherent in geospatial query formulation. In addition, we define a reverse task, OverpassQL-to-Text, which translates structured queries into natural language explanations to support query interpretation and improve user accessibility. We evaluate OsmT on a public benchmark against strong baselines and observe consistent improvements in both query generation and interpretation. Despite using significantly fewer parameters, our model achieves competitive accuracy, demonstrating the effectiveness of open-source pre-trained language models in bridging natural language and structured query languages within schema-rich geospatial environments.

Xulu Zhang, Xiao-Yong Wei, Jinlin Wu et al.

Inversion methods, such as Textual Inversion, generate personalized images by incorporating concepts of interest provided by user images. However, existing methods often suffer from overfitting issues, where the dominant presence of inverted concepts leads to the absence of other desired concepts. It stems from the fact that during inversion, the irrelevant semantics in the user images are also encoded, forcing the inverted concepts to occupy locations far from the core distribution in the embedding space. To address this issue, we propose a method that guides the inversion process towards the core distribution for compositional embeddings. Additionally, we introduce a spatial regularization approach to balance the attention on the concepts being composed. Our method is designed as a post-training approach and can be seamlessly integrated with other inversion methods. Experimental results demonstrate the effectiveness of our proposed approach in mitigating the overfitting problem and generating more diverse and balanced compositions of concepts in the synthesized images. The source code is available at https://github.com/zhangxulu1996/Compositional-Inversion.

Dayong Liang, Xiao-Yong Wei, Changmeng Zheng

Hallucination continues to pose a major obstacle in the reasoning capabilities of large language models (LLMs). Although the Multi-Agent Debate (MAD) paradigm offers a promising solution by promoting consensus among multiple agents to enhance reliability, it relies on the unrealistic assumption that all debaters are rational and reflective, which is a condition that may not hold when agents themselves are prone to hallucinations. To address this gap, we introduce the Multi-agent Undercover Gaming (MUG) protocol, inspired by social deduction games like "Who is Undercover?". MUG reframes MAD as a process of detecting "undercover" agents (those suffering from hallucinations) by employing multimodal counterfactual tests. Specifically, we modify reference images to introduce counterfactual evidence and observe whether agents can accurately identify these changes, providing ground-truth for identifying hallucinating agents and enabling robust, crowd-powered multimodal reasoning. MUG advances MAD protocols along three key dimensions: (1) enabling factual verification beyond statistical consensus through counterfactual testing; (2) introducing cross-evidence reasoning via dynamically modified evidence sources instead of relying on static inputs; and (3) fostering active reasoning, where agents engage in probing discussions rather than passively answering questions. Collectively, these innovations offer a more reliable and effective framework for multimodal reasoning in LLMs. The source code can be accessed at https://github.com/YongLD/MUG.git.

Rubing Chen, Xulu Zhang, Jiaxin Wu et al.

This paper addresses the need for improved precision in existing knowledge-enhanced question-answering frameworks, specifically Retrieval-Augmented Generation (RAG) methods that primarily focus on enhancing recall. We propose a multi-layer knowledge pyramid approach within the RAG framework to achieve a better balance between precision and recall. The knowledge pyramid consists of three layers: Ontologies, Knowledge Graphs (KGs), and chunk-based raw text. We employ cross-layer augmentation techniques for comprehensive knowledge coverage and dynamic updates of the Ontology schema and instances. To ensure compactness, we utilize cross-layer filtering methods for knowledge condensation in KGs. Our approach, named PolyRAG, follows a waterfall model for retrieval, starting from the top of the pyramid and progressing down until a confident answer is obtained. We introduce two benchmarks for domain-specific knowledge retrieval, one in the academic domain and the other in the financial domain. The effectiveness of the methods has been validated through comprehensive experiments by outperforming 19 SOTA methods. An encouraging observation is that the proposed method has augmented the GPT-4, providing 395% F1 gain by improving its performance from 0.1636 to 0.8109.

Changmeng Zheng, Dayong Liang, Wengyu Zhang et al.

This paper presents a pilot study aimed at introducing multi-agent debate into multimodal reasoning. The study addresses two key challenges: the trivialization of opinions resulting from excessive summarization and the diversion of focus caused by distractor concepts introduced from images. These challenges stem from the inductive (bottom-up) nature of existing debating schemes. To address the issue, we propose a deductive (top-down) debating approach called Blueprint Debate on Graphs (BDoG). In BDoG, debates are confined to a blueprint graph to prevent opinion trivialization through world-level summarization. Moreover, by storing evidence in branches within the graph, BDoG mitigates distractions caused by frequent but irrelevant concepts. Extensive experiments validate that BDoG is able to achieve state-of-the-art results in ScienceQA and MMBench with significant improvements over previous methods. The source code can be accessed at https://github.com/thecharm/BDoG.

Wengyu Zhang, Xiao-Yong Wei, Qing Li

Text-guided molecular design is a key capability for AI-driven drug discovery, yet it remains challenging to map sequential natural-language instructions with non-linear molecular structures under strict chemical constraints. Most existing approaches, including RAG, CoT prompting, and fine-tuning or RL, emphasize a small set of ad-hoc reasoning perspectives implemented in a largely one-shot generation pipeline. In contrast, real-world drug discovery relies on dynamic, multi-perspective critique and iterative refinement to reconcile semantic intent with structural feasibility. Motivated by this, we propose Mol-Debate, a generation paradigm that enables such dynamic reasoning through an iterative generate-debate-refine loop. We further characterize key challenges in this paradigm and address them through perspective-oriented orchestration, including developer-debater conflict, global-local structural reasoning, and static-dynamic integration. Experiments demonstrate that Mol-Debate achieves state-of-the-art performance against strong general and chemical baselines, reaching 59.82% exact match on ChEBI-20 and 50.52% weighted success rate on S$^2$-Bench. Our code is available at https://github.com/wyuzh/Mol-Debate.

Xulu Zhang, Wengyu Zhang, Xiao-Yong Wei et al.

This paper presents a pilot study that explores the application of active learning, traditionally studied in the context of discriminative models, to generative models. We specifically focus on image synthesis personalization tasks. The primary challenge in conducting active learning on generative models lies in the open-ended nature of querying, which differs from the closed form of querying in discriminative models that typically target a single concept. We introduce the concept of anchor directions to transform the querying process into a semi-open problem. We propose a direction-based uncertainty sampling strategy to enable generative active learning and tackle the exploitation-exploration dilemma. Extensive experiments are conducted to validate the effectiveness of our approach, demonstrating that an open-source model can achieve superior performance compared to closed-source models developed by large companies, such as Google's StyleDrop. The source code is available at https://github.com/zhangxulu1996/GAL4Personalization.

Youkang Wang, Jian Wang, Rubing Chen et al.

Inference-time scaling has emerged as a powerful technique for enhancing the reasoning performance of Large Language Models (LLMs). However, existing approaches often rely on heuristic strategies for parallel sampling, lacking a principled foundation. To address this gap, we propose a probabilistic framework that formalizes the optimality of inference-time scaling under the assumption that parallel samples are independently and identically distributed (i.i.d.), and where the Best-of-N selection strategy follows a probability distribution that can be estimated. Within this framework, we derive a theoretical lower bound on the required number of samples to achieve a target performance level, providing the first principled guidance for compute-efficient scaling. Leveraging this insight, we develop \textsc{OptScale}, a practical algorithm that dynamically determines the optimal number of sampled responses. \textsc{OptScale} employs a language model-based predictor to estimate probabilistic prior parameters, enabling the decision of the minimal number of samples needed that satisfy predefined performance thresholds and confidence levels. Extensive experiments on representative reasoning benchmarks (including MATH-500, GSM8K, AIME, and AMC) demonstrate that \textsc{OptScale} significantly reduces sampling overhead while remaining better or on par with state-of-the-art reasoning performance. Our work offers both a theoretical foundation and a practical solution for principled inference-time scaling, addressing a critical gap in the efficient deployment of LLMs for complex reasoning. The source code is publicly available at https://github.com/Albertwyk/OptScale.

Tianyi Zhang, Wengyu Zhang, Xulu Zhang et al.

Accurate human localization is crucial for various applications, especially in the Metaverse era. Existing high precision solutions rely on expensive, tag-dependent hardware, while vision-based methods offer a cheaper, tag-free alternative. However, current vision solutions based on stereo vision face limitations due to rigid perspective transformation principles and error propagation in multi-stage SVD solvers. These solutions also require multiple high-resolution cameras with strict setup constraints. To address these limitations, we propose a probabilistic approach that considers all points on the human body as observations generated by a distribution centered around the body's geometric center. This enables us to improve sampling significantly, increasing the number of samples for each point of interest from hundreds to billions. By modeling the relation between the means of the distributions of world coordinates and pixel coordinates, leveraging the Central Limit Theorem, we ensure normality and facilitate the learning process. Experimental results demonstrate human localization accuracy of 95% within a 0.3m range and nearly 100% accuracy within a 0.5m range, achieved at a low cost of only 10 USD using two web cameras with a resolution of 640x480 pixels.

Yiyang Jiang, Guangwu Qian, Jiaxin Wu et al.

Antinuclear antibody (ANA) testing is a crucial method for diagnosing autoimmune disorders, including lupus, Sjögren's syndrome, and scleroderma. Despite its importance, manual ANA detection is slow, labor-intensive, and demands years of training. ANA detection is complicated by over 100 coexisting antibody types, resulting in vast fluorescent pattern combinations. Although machine learning and deep learning have enabled automation, ANA detection in real-world clinical settings presents unique challenges as it involves multi-instance, multi-label (MIML) learning. In this paper, a novel framework for ANA detection is proposed that handles the complexities of MIML tasks using unaltered microscope images without manual preprocessing. Inspired by human labeling logic, it identifies consistent ANA sub-regions and assigns aggregated labels accordingly. These steps are implemented using three task-specific components: an instance sampler, a probabilistic pseudo-label dispatcher, and self-paced weight learning rate coefficients. The instance sampler suppresses low-confidence instances by modeling pattern confidence, while the dispatcher adaptively assigns labels based on instance distinguishability. Self-paced learning adjusts training according to empirical label observations. Our framework overcomes limitations of traditional MIML methods and supports end-to-end optimization. Extensive experiments on one ANA dataset and three public medical MIML benchmarks demonstrate the superiority of our framework. On the ANA dataset, our model achieves up to +7.0% F1-Macro and +12.6% mAP gains over the best prior method, setting new state-of-the-art results. It also ranks top-2 across all key metrics on public datasets, reducing Hamming loss and one-error by up to 18.2% and 26.9%, respectively. The source code can be accessed at https://github.com/fletcherjiang/ANA-SelfPacedLearning.

Rubing Chen, Jiaxin Wu, Jian Wang et al.

The increasing demand for domain-specific evaluation of large language models (LLMs) has led to the development of numerous benchmarks. These efforts often adhere to the principle of data scaling, relying on large corpora or extensive question-answer (QA) sets to ensure broad coverage. However, the impact of corpus and QA set design on the precision and recall of domain-specific LLM performance remains poorly understood. In this paper, we argue that data scaling is not always the optimal principle for domain-specific benchmark construction. Instead, we introduce Comp-Comp, an iterative benchmarking framework grounded in the principle of comprehensiveness and compactness. Comprehensiveness ensures semantic recall by covering the full breadth of the domain, while compactness improves precision by reducing redundancy and noise. To demonstrate the effectiveness of our approach, we present a case study conducted at a well-renowned university, resulting in the creation of PolyBench, a large-scale, high-quality academic benchmark. Although this study focuses on academia, the Comp-Comp framework is domain-agnostic and readily adaptable to a wide range of specialized fields. The source code and datasets can be accessed at https://github.com/Anya-RB-Chen/COMP-COMP.

Lun Huang, Wenmin Wang, Jie Chen et al.

Attention mechanisms are widely used in current encoder/decoder frameworks of image captioning, where a weighted average on encoded vectors is generated at each time step to guide the caption decoding process. However, the decoder has little idea of whether or how well the attended vector and the given attention query are related, which could make the decoder give misled results. In this paper, we propose an Attention on Attention (AoA) module, which extends the conventional attention mechanisms to determine the relevance between attention results and queries. AoA first generates an information vector and an attention gate using the attention result and the current context, then adds another attention by applying element-wise multiplication to them and finally obtains the attended information, the expected useful knowledge. We apply AoA to both the encoder and the decoder of our image captioning model, which we name as AoA Network (AoANet). Experiments show that AoANet outperforms all previously published methods and achieves a new state-of-the-art performance of 129.8 CIDEr-D score on MS COCO Karpathy offline test split and 129.6 CIDEr-D (C40) score on the official online testing server. Code is available at https://github.com/husthuaan/AoANet.

Jiatong Li, Yuxuan Ren, Weida Wang et al.

Molecular Vibe Coding, a paradigm where chemists interact with LLMs to generate executable programs for molecular tasks, has emerged as a flexible alternative to chemical agents with predefined tools, enabling chemists to express arbitrarily complex, customized workflows. Unlike general coding tasks, molecular coding imposes a distinctive challenge that LLMs should jointly equip programming, molecular understanding, and domain-specific reasoning capabilities. However, existing benchmarks remain disconnected. General code generation benchmarks such as HumanEval and SWE-bench require no chemistry knowledge, while chemistry-focused benchmarks such as S^2-Bench and ChemCoTBench evaluate knowledge recall or property prediction rather than executable code generation. To bridge this gap, we introduce MolViBench, the first benchmark tailored for Molecular Vibe Coding. MolViBench comprises 358 curated tasks across five cognitive levels, ranging from single-API recall to end-to-end virtual screening pipeline design, spanning 12 real-world drug discovery workflows. To rigorously assess generated code, we also propose a multi-layered evaluation framework that combines type-aware output comparison and AST-based API-semantic fallback analysis, which jointly measures executability and chemical correctness. We systematically evaluate 9 frontier coding LLMs and compare three real-world Molecular Vibe Coding paradigms, providing a practical and fine-grained testbed for diagnosing LLMs' coding capabilities in AI-accelerated molecular discovery.

Liangbo Ning, Ziran Liang, Zhuohang Jiang et al.

With the advancement of web techniques, they have significantly revolutionized various aspects of people's lives. Despite the importance of the web, many tasks performed on it are repetitive and time-consuming, negatively impacting overall quality of life. To efficiently handle these tedious daily tasks, one of the most promising approaches is to advance autonomous agents based on Artificial Intelligence (AI) techniques, referred to as AI Agents, as they can operate continuously without fatigue or performance degradation. In the context of the web, leveraging AI Agents -- termed WebAgents -- to automatically assist people in handling tedious daily tasks can dramatically enhance productivity and efficiency. Recently, Large Foundation Models (LFMs) containing billions of parameters have exhibited human-like language understanding and reasoning capabilities, showing proficiency in performing various complex tasks. This naturally raises the question: `Can LFMs be utilized to develop powerful AI Agents that automatically handle web tasks, providing significant convenience to users?' To fully explore the potential of LFMs, extensive research has emerged on WebAgents designed to complete daily web tasks according to user instructions, significantly enhancing the convenience of daily human life. In this survey, we comprehensively review existing research studies on WebAgents across three key aspects: architectures, training, and trustworthiness. Additionally, several promising directions for future research are explored to provide deeper insights.

Leming Shen, Qiang Yang, Kaiyan Cui et al.

Federated Learning (FL) facilitates collaborative training of a shared global model without exposing clients' private data. In practical FL systems, clients (e.g., edge servers, smartphones, and wearables) typically have disparate system resources. Conventional FL, however, adopts a one-size-fits-all solution, where a homogeneous large global model is transmitted to and trained on each client, resulting in an overwhelming workload for less capable clients and starvation for other clients. To address this issue, we propose FedConv, a client-friendly FL framework, which minimizes the computation and memory burden on resource-constrained clients by providing heterogeneous customized sub-models. FedConv features a novel learning-on-model paradigm that learns the parameters of the heterogeneous sub-models via convolutional compression. Unlike traditional compression methods, the compressed models in FedConv can be directly trained on clients without decompression. To aggregate the heterogeneous sub-models, we propose transposed convolutional dilation to convert them back to large models with a unified size while retaining personalized information from clients. The compression and dilation processes, transparent to clients, are optimized on the server leveraging a small public dataset. Extensive experiments on six datasets demonstrate that FedConv outperforms state-of-the-art FL systems in terms of model accuracy (by more than 35% on average), computation and communication overhead (with 33% and 25% reduction, respectively).

Rubing Chen, Jian Wang, Wenjie Li et al.

Current context augmentation methods, such as retrieval-augmented generation, are essential for solving knowledge-intensive reasoning tasks. However, they typically adhere to a rigid, brute-force strategy that executes retrieval at every step. This indiscriminate approach not only incurs unnecessary computational costs but also degrades performance by saturating the context with irrelevant noise. To address these limitations, we introduce Agentic Context Evolution (ACE), a framework inspired by human metacognition that dynamically determines whether to seek new evidence or reason with existing knowledge. ACE employs a central orchestrator agent to make decisions strategically via majority voting. It aims to alternate between activating a retriever agent for external retrieval and a reasoner agent for internal analysis and refinement. By eliminating redundant retrieval steps, ACE maintains a concise and evolved context. Extensive experiments on challenging multi-hop QA benchmarks demonstrate that ACE significantly outperforms competitive baselines in accuracy while achieving efficient token consumption. Our work provides valuable insights into advancing context-evolved generation for complex, knowledge-intensive tasks.

Youkang Wang, Jian Wang, Rubing Chen et al.

Test-time policy optimization enables large language models (LLMs) to adapt to distribution shifts by leveraging feedback from self-generated rollouts. However, existing methods rely on fixed-budget majority voting to estimate rewards, incurring substantial computational redundancy. We propose Optimal Rollout Allocation for Test-time Policy Optimization (OptPO), a principled framework that adaptively allocates inference budgets. By formulating the voting process as a Bayesian sequential probability ratio test, OptPO dynamically halts sampling once the posterior confidence in a consensus answer exceeds a specified threshold. Crucially, it utilizes the retained rollouts for on-policy updates, seamlessly integrating with algorithms like PPO or GRPO without requiring ground-truth labels. Across diverse reasoning benchmarks, OptPO significantly reduces rollout overhead compared to fixed-sample baselines while preserving or improving accuracy. By unifying statistically optimal stopping with test-time learning, OptPO offers a computationally efficient paradigm for test-time adaptation. The source code will be open upon acceptance at https://open-upon-acceptance.

Jian Wang, Chak Tou Leong, Jiashuo Wang et al.

Tuning language models for dialogue generation has been a prevalent paradigm for building capable dialogue agents. Yet, traditional tuning narrowly views dialogue generation as resembling other language generation tasks, ignoring the role disparities between two speakers and the multi-round interactive process that dialogues ought to be. Such a manner often leads to unsatisfactory chat consistency for the built agent. In this work, we emphasize the interactive, communicative nature of dialogue and argue that it is more feasible to model the speaker roles of agent and user separately, enabling the agent to adhere to its role consistently. With this in mind, we propose an efficient Multi-round Interactive Dialogue Tuning (Midi-Tuning) framework. It models the agent and user individually with two adapters built upon large language models. The adapters make use of respective utterances round by round in alternating order and they are tuned via a round-level memory caching mechanism. Extensive experiments demonstrate that, our framework performs superior to traditional fine-tuning and harbors the tremendous potential for improving dialogue consistency.

Wei Wang, Xiao-Yong Wei, Qing Li

The Universal Approximation Theorem (UAT) guarantees universal function approximation but does not explain how residual models distribute approximation across layers. We reframe residual networks as a layer-wise approximation process that builds an approximation trajectory from input to target, and prove the existence of progressive trajectories where error decreases monotonically with depth. It reveals that residual networks can implement structured, step-by-step refinement rather than end-to-end (E2E) black-box mapping. Building on this, we propose Layer-wise Progressive Approximation (LPA), a theoretically grounded training principle that explicitly aligns each layer with its residual target to realize such trajectories. LPA is architecture-agnostic: we observe progressive behavior in residual FNNs, ResNets, and Transformers across tasks including complex surface fitting, image classification, and NLP with LLMs for generation and classification. Crucially, this enables ``train once, use $N$ models": a single network yields useful predictions at every depth, supporting efficient shallow inference without retraining. Our work unifies approximation theory with practical deep learning, providing a new lens on representation learning and a flexible framework for multi-depth deployment. The source code will be released unpon acceptance at https://(open\_upon\_acceptance).

Jiatong Li, Junxian Li, Weida Wang et al.

Recently, Large Language Models (LLMs) have shown great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on a one-to-one mapping, measuring LLMs' ability to retrieve a single, pre-defined answer, rather than their creative potential to generate diverse, yet equally valid, molecular candidates. To address this critical gap, we propose Speak-to-Structure (S^2-Bench}), the first benchmark to evaluate LLMs in open-domain natural language-driven molecule generation. S^2-Bench is specifically designed for one-to-many relationships, challenging LLMs to demonstrate genuine molecular understanding and generation capabilities. Our benchmark includes three key tasks: molecule editing (MolEdit), molecule optimization (MolOpt), and customized molecule generation (MolCustom), each probing a different aspect of molecule discovery. We also introduce OpenMolIns, a large-scale instruction tuning dataset that enables Llama-3.1-8B to surpass the most powerful LLMs like GPT-4o and Claude-3.5 on S^2-Bench. Our comprehensive evaluation of 28 LLMs shifts the focus from simple pattern recall to realistic molecular design, paving the way for more capable LLMs in natural language-driven molecule discovery.

Jiaxin Wu, Ting Zhang, Rubing Chen et al.

Current molecular understanding approaches predominantly focus on the descriptive aspect of human perception, providing broad, topic-level insights. However, the referential aspect -- linking molecular concepts to specific structural components -- remains largely unexplored. To address this gap, we propose a molecular grounding benchmark designed to evaluate a model's referential abilities. We align molecular grounding with established conventions in NLP, cheminformatics, and molecular science, showcasing the potential of NLP techniques to advance molecular understanding within the AI for Science movement. Furthermore, we constructed the largest molecular understanding benchmark to date, comprising 117k QA pairs, and developed a multi-agent grounding prototype as proof of concept. This system outperforms existing models, including GPT-4o, and its grounding outputs have been integrated to enhance traditional tasks such as molecular captioning and ATC (Anatomical, Therapeutic, Chemical) classification.

Youkang Wang, Jian Wang, Rubing Chen et al.

Sequential scaling is a prominent inference-time scaling paradigm, yet its performance improvements are typically modest and not well understood, largely due to the prevalence of heuristic, non-principled approaches that obscure clear optimality bounds. To address this, we propose a principled framework that models sequential scaling as a two-state Markov process. This approach reveals the underlying properties of sequential scaling and yields closed-form solutions for essential aspects, such as the specific conditions under which accuracy is improved and the theoretical upper, neutral, and lower performance bounds. Leveraging this formulation, we develop MarkovScale, a practical system that applies these optimality criteria to achieve a theoretically grounded balance between accuracy and efficiency. Comprehensive experiments across 3 backbone LLMs, 5 benchmarks, and over 20 configurations show that MarkovScale consistently outperforms state-of-the-art parallel and sequential scaling methods, representing a significant step toward optimal and resource-efficient inference in LLMs. The source code will be open upon acceptance at https://open-upon-acceptance.

Wei Wang, Xiao-Yong Wei, Qing Li

The widespread 'deeper is better' philosophy has driven the creation of architectures like ResNet and Transformer, which achieve high performance by stacking numerous layers. However, increasing model depth comes with challenges such as longer training times, higher inference latency, and impracticality on resource-constrained devices. To address these issues, we propose ParaFormer, a shallow Transformer architecture designed for true parallelism in both structure and computation. By formulating standard Transformers as function approximators in closed-form, our theoretical analysis shows that their performance relies on inter-layer collaboration for progressive approximation, rather than depth itself. While deep Transformers enforce this collaboration through sequential designs, we demonstrate that such collaboration is not inherently tied to sequential structures. ParaFormer removes the sequential constraint by organizing layers into parallel branches, enforcing inter-layer collaboration algorithmically. Specifically, we implement progressive approximation, ensuring that each new branch further reduces the loss from preceding branches, enabling faster convergence. Extensive experiments validate ParaFormer's effectiveness, outperforming standard Transformers like ViT. Moreover, ParaFormer supports up to 15.07x model compression and facilitates model expansion for adaptive continuous learning. Experimental results on multi-GPU deployment demonstrate that ParaFormer is 3.30x faster than widely used parallelism solutions such as FairScale. These advancements stem from our closed-form formulation of Transformers based on the Universal Approximation Theorem, which not only explains the ``depth belief'' but also opens new avenues for designing efficient Transformer architectures. Source code: https://(open-upon-acceptance)

Dayong Liang, Changmeng Zheng, Zhiyuan Wen et al.

Traditional scene graphs primarily focus on spatial relationships, limiting vision-language models' (VLMs) ability to reason about complex interactions in visual scenes. This paper addresses two key challenges: (1) conventional detection-to-construction methods produce unfocused, contextually irrelevant relationship sets, and (2) existing approaches fail to form persistent memories for generalizing interaction reasoning to new scenes. We propose Interaction-augmented Scene Graph Reasoning (ISGR), a framework that enhances VLMs' interactional reasoning through three complementary components. First, our dual-stream graph constructor combines SAM-powered spatial relation extraction with interaction-aware captioning to generate functionally salient scene graphs with spatial grounding. Second, we employ targeted interaction queries to activate VLMs' latent knowledge of object functionalities, converting passive recognition into active reasoning about how objects work together. Finally, we introduce a lone-term memory reinforcement learning strategy with a specialized interaction-focused reward function that transforms transient patterns into long-term reasoning heuristics. Extensive experiments demonstrate that our approach significantly outperforms baseline methods on interaction-heavy reasoning benchmarks, with particularly strong improvements on complex scene understanding tasks. The source code can be accessed at https://github.com/open_upon_acceptance.

Xu-Lu Zhang, Zhen-Qun Yang, Dong-Mei Jiang et al.

Eating monitoring has remained an open challenge in medical research for years due to the lack of non-invasive sensors for continuous monitoring and the reliable methods for automatic behavior detection. In this paper, we present a pilot study using the wearable 24-hour ECG for sensing and tailoring the sophisticated deep learning for ad-hoc and interpretable detection. This is accomplished using a collocative learning framework in which 1) we construct collocative tensors as pseudo-images from 1D ECG signals to improve the feasibility of 2D image-based deep models; 2) we formulate the cardiac logic of analyzing the ECG data in a comparative way as periodic attention regulators so as to guide the deep inference to collect evidence in a human comprehensible manner; and 3) we improve the interpretability of the framework by enabling the backtracking of evidence with a set of methods designed for Class Activation Mapping (CAM) decoding and decision tree/forest generation. The effectiveness of the proposed framework has been validated on the largest ECG dataset of eating behavior with superior performance over conventional models, and its capacity of cardiac evidence mining has also been verified through the consistency of the evidence it backtracked and that of the previous medical studies.

Tianyi Zhang, Wengyu Zhang, Xulu Zhang et al.

Accurate human localization is crucial for various applications, especially in the Metaverse era. Existing high precision solutions rely on expensive, tag-dependent hardware, while vision-based methods offer a cheaper, tag-free alternative. However, current vision solutions based on stereo vision face limitations due to rigid perspective transformation principles and error propagation in multi-stage SVD solvers. These solutions also require multiple high-resolution cameras with strict setup constraints.To address these limitations, we propose a probabilistic approach that considers all points on the human body as observations generated by a distribution centered around the body's geometric center. This enables us to improve sampling significantly, increasing the number of samples for each point of interest from hundreds to billions. By modeling the relation between the means of the distributions of world coordinates and pixel coordinates, leveraging the Central Limit Theorem, we ensure normality and facilitate the learning process. Experimental results demonstrate human localization accuracy of 96\% within a 0.3$m$ range and nearly 100\% accuracy within a 0.5$m$ range, achieved at a low cost of only 10 USD using two web cameras with a resolution of 640$\times$480 pixels.

Jiaxin Wu, Yiyang Jiang, Xiao-Yong Wei et al.

Video Corpus Visual Answer Localization (VCVAL) includes question-related video retrieval and visual answer localization in the videos. Specifically, we use text-to-text retrieval to find relevant videos for a medical question based on the similarity of video transcript and answers generated by GPT4. For the visual answer localization, the start and end timestamps of the answer are predicted by the alignments on both visual content and subtitles with queries. For the Query-Focused Instructional Step Captioning (QFISC) task, the step captions are generated by GPT4. Specifically, we provide the video captions generated by the LLaVA-Next-Video model and the video subtitles with timestamps as context, and ask GPT4 to generate step captions for the given medical query. We only submit one run for evaluation and it obtains a F-score of 11.92 and mean IoU of 9.6527.

Jiaxin Wu, Wengyu Zhang, Xiao-Yong Wei et al.

In this paper, we present our methods and results for the Video-To-Text (VTT) task at TRECVid 2024, exploring the capabilities of Vision-Language Models (VLMs) like LLaVA and LLaVA-NeXT-Video in generating natural language descriptions for video content. We investigate the impact of fine-tuning VLMs on VTT datasets to enhance description accuracy, contextual relevance, and linguistic consistency. Our analysis reveals that fine-tuning substantially improves the model's ability to produce more detailed and domain-aligned text, bridging the gap between generic VLM tasks and the specialized needs of VTT. Experimental results demonstrate that our fine-tuned model outperforms baseline VLMs across various evaluation metrics, underscoring the importance of domain-specific tuning for complex VTT tasks.

Guangwu Qian, Zhen-Qun Yang, Xu-Lu Zhang et al.

Class Activation Mapping (CAM) has been widely adopted to generate saliency maps which provides visual explanations for deep neural networks (DNNs). The saliency maps are conventionally generated by fusing the channels of the target feature map using a weighted average scheme. It is a weak model for the inter-channel relation, in the sense that it only models the relation among channels in a contrastive way (i.e., channels that play key roles in the prediction are given higher weights for them to stand out in the fusion). The collaborative relation, which makes the channels work together to provide cross reference, has been ignored. Furthermore, the model has neglected the intra-channel relation thoroughly.In this paper, we address this problem by introducing Conceptor learning into CAM generation. Conceptor leaning has been originally proposed to model the patterns of state changes in recurrent neural networks (RNNs). By relaxing the dependency of Conceptor learning to RNNs, we make Conceptor-CAM not only generalizable to more DNN architectures but also able to learn both the inter- and intra-channel relations for better saliency map generation. Moreover, we have enabled the use of Boolean operations to combine the positive and pseudo-negative evidences, which has made the CAM inference more robust and comprehensive. The effectiveness of Conceptor-CAM has been validated with both formal verifications and experiments on the dataset of the largest scale in literature. The experimental results show that Conceptor-CAM is compatible with and can bring significant improvement to all well recognized CAM-based methods, and has outperformed the state-of-the-art methods by 43.14%~72.79% (88.39%~168.15%) on ILSVRC2012 in Average Increase (Drop), 15.42%~42.55% (47.09%~372.09%) on VOC, and 17.43%~31.32% (47.54%~206.45%) on COCO, respectively.