Wanlong Fang

Wen Tao, Yiwei Wang, Peng Zhou et al.

Molecule generation requires satisfying multiple chemical and biological constraints while searching a large and structured chemical space. This makes it a non-binary problem, where effective models must identify non-obvious solutions under constraints while maintaining exploration to improve success by escaping local optima. From this perspective, creativity is a functional requirement in molecular generation rather than an aesthetic notion. Large language models (LLMs) can generate molecular representations directly from natural language prompts, but it remains unclear what type of creativity they exhibit in this setting and how it should be evaluated. In this work, we study the creative behavior of LLMs in molecular generation through a systematic empirical evaluation across physicochemical, ADMET, and biological activity tasks. We characterize creativity along two complementary dimensions, convergent creativity and divergent creativity, and analyze how different factors shape these behaviors. Our results indicate that LLMs exhibit distinct patterns of creative behavior in molecule generation, such as an increase in constraint satisfaction when additional constraints are imposed. Overall, our work is the first to reframe the abilities required for molecule generation as creativity, providing a systematic understanding of creativity in LLM-based molecular generation and clarifying the appropriate use of LLMs in molecular discovery pipelines.

Xiang Fang, Wanlong Fang, Changshuo Wang

Large Vision-Language Models (LVLMs) have transformed multi-modal understanding, excelling in tasks like image captioning and visual question answering by integrating visual and textual inputs. However, their robustness against adversarial attacks, particularly those exploiting both modalities, remains underexplored, posing risks to critical applications like autonomous driving and content moderation. Existing attacks focus on single modalities or require impractical white-box access, limiting their real-world relevance. In this paper, we introduce Multi-Modal Adversarial Synergy, a groundbreaking framework that crafts universal, black-box multi-modal attacks against LVLMs. MMAS simultaneously generates a texture scale-constrained universal adversarial perturbation for images and a learnable prompt perturbation for text, optimized jointly using only model queries. The image perturbation leverages wavelet-based texture constraints to ensure imperceptibility and robustness across diverse visual inputs. The text perturbation, constrained by an L-norm in the embedding space, maintains semantic coherence while steering outputs toward a target. A novel cross-modal regularization term aligns the perturbations' gradient directions, enhancing their synergistic impact and transferability across tasks and models. Extensive experiments show the strong universal adversarial capabilities of our proposed attack with prevalent LVLMs.

Xiang Fang, Wanlong Fang, Changshuo Wang

Vision-Language Navigation in Continuous Environments (VLN-CE) poses a formidable challenge for autonomous agents, requiring seamless integration of natural language instructions and visual observations to navigate complex 3D indoor spaces. Existing approaches often falter in long-horizon tasks due to limited scene understanding, inefficient planning, and lack of robust decision-making frameworks. We introduce the \textbf{Hierarchical Semantic-Augmented Navigation (HSAN)} framework, a groundbreaking approach that redefines VLN-CE through three synergistic innovations. First, HSAN constructs a dynamic hierarchical semantic scene graph, leveraging vision-language models to capture multi-level environmental representations, from objects to regions to zones, enabling nuanced spatial reasoning. Second, it employs an optimal transport-based topological planner, grounded in Kantorovich's duality, to select long-term goals by balancing semantic relevance and spatial accessibility with theoretical guarantees of optimality. Third, a graph-aware reinforcement learning policy ensures precise low-level control, navigating subgoals while robustly avoiding obstacles. By integrating spectral graph theory, optimal transport, and advanced multi-modal learning, HSAN addresses the shortcomings of static maps and heuristic planners prevalent in prior work. Extensive experiments on multiple challenging VLN-CE datasets demonstrate that HSAN achieves state-of-the-art performance, with significant improvements in navigation success and generalization to unseen environments.

Xiang Fang, Wanlong Fang

Large Language Models (LLMs) are increasingly vulnerable to adversarial prompts that exploit semantic ambiguities to bypass safety mechanisms, resulting in harmful or inappropriate outputs. Such attacks, including jailbreaking and prompt injection, pose significant risks to the integrity and availability of LLMs in security-critical applications. This paper proposes the Adversarial Prompt Disentanglement (APD) framework, a novel defense mechanism that proactively identifies and neutralizes malicious components in input prompts before they are processed by the LLM. The APD framework integrates three key innovations: (1) a mutual information-based semantic decomposition method to isolate adversarial and benign prompt components, ensuring statistical independence; (2) a graph-based intent classification approach that leverages spectral analysis to detect malicious patterns in prompt semantics; and (3) a lightweight transformer-based classifier trained on real-world datasets of toxic and jailbreaking prompts, enabling efficient and accurate adversarial intent detection. Evaluated on diverse datasets containing adversarial prompts, APD demonstrates superior robustness, reducing harmful output generation by over 85\% while maintaining negligible impact on model performance. The framework's computational efficiency supports real-time deployment, making it a practical solution for securing LLMs. Our work addresses critical challenges in machine learning security on novel attacks and integrity methods for ML systems, and offers a scalable, ethically grounded defense against prompt-based adversarial threats.

Xiang Fang, Wanlong Fang, Changshuo Wang et al.

Driven by the wave of large language models, Video-Language Models (VLMs) have become a significant yet challenging technology to bridge the gap between videos and texts. Although previous VLM works have made significant progress, almost all of them implicitly assume that all the texts are predefined by the specific template. In real-world applications, such a strict assumption is impossible to satisfy since 1) predefining all the texts is extremely time-consuming and labor-intensive. 2) these predefined text inputs are too restrictive and user-unfriendly, limiting their applications. It is observed that given a video input, texts with similar semantics but different templates lead to various performances. To this end, in this paper, we propose a novel plug-and-play framework for various VLM-based methods to fully bridge videos and texts. Specifically, we first generate positive and negative texts from the original ones to target specific text components. Then, we propose an attribute-based text reasoning strategy to mine fine-grained textual semantics of generated texts. Finally, we utilize videos as guidance to conduct cross-modal bridging by designing a self-weighted loss. Extensive experiments show that the proposed method can serve as the plug-and-play module to effectively improve the performance of state-of-the-art VLMs.

Xiang Fang, Wanlong Fang, Changshuo Wang et al.

Video-Language Models (VLMs) have demonstrated impressive multi-modal reasoning capabilities across diverse computer vision applications. However, these VLMs are task-specific and assume that both video and language inputs are complete. However, real-world VLM applications might face challenges due to deactivated sensors (e.g., cameras are unavailable due to data privacy), yielding modality-incomplete data and leading to inconsistency between training and testing data. While straightforward incomplete input can boast training generalization-ability and lead to training failure, its potential risks to VLMs regarding safety and trustworthiness have been largely neglected. To this end, we make the first attempt to propose a unified incomplete video-language model to process the incomplete multi-modal inputs. Extensive experimental results show that our method can serve as a plug-and-play module for previous works to improve their performance in various multi-modal tasks.

Xiang Fang, Wanlong Fang, Changshuo Wang

Multi-modal Retrieval-Augmented Generation (MMRAG) has emerged as a powerful paradigm for enhancing Multimodal Large Language Models in knowledge-intensive question answering by integrating external visual, textual, and structural knowledge. However, existing MMRAG frameworks suffer from critical limitations, including noisy and irrelevant retrieval, cross-modal semantic misalignment, lack of adaptive reasoning, and incoherent generation across local and global contexts. We introduce \textbf{CogniVerse}, a novel MMRAG framework that addresses these challenges through a cognitive-inspired, mathematically rigorous approach. Drawing from human-like reasoning, CogniVerse integrates three synergistic components: (1) a Cognitive Reflection Module that dynamically assesses retrieval necessity and filters relevant multi-modal content, reducing noise and computational overhead; (2) a Multi-modal Retrieval Module that aligns embeddings in a Riemannian manifold using information geometry and refines knowledge graphs via spectral graph theory, ensuring precise and coherent retrieval; and (3) a Hierarchical Generation Module that employs an optimal transport-based loss to balance token-level accuracy and global semantic coherence. Extensive experiments demonstrate that CogniVerse significantly outperforms state-of-the-art systems in both accuracy and coherence, while reducing retrieval latency.

Xiang Fang, Wanlong Fang, Wei Ji

Large Vision-Language Models have achieved unprecedented success in zero-shot recognition by aligning visual features with broad semantic concepts. However, this semantic abstraction creates a critical vulnerability in open-world deployment: the ``Hubris of Semantics'', where models force-fit unknown anomalies into known categories with high confidence due to the lack of explicit negative knowledge. To address this \textit{Open-World Trustworthiness Paradox}, we propose \textbf{Immuno-VLM}, a bio-inspired framework that adapts the biological principle of \textbf{Immunological Negative Selection} to high-dimensional latent spaces. Departing from traditional Open-Set Recognition methods that rely on passive density estimation or inefficient pixel-space outlier generation, Immuno-VLM leverages the generative reasoning of Large Language Models to actively hallucinate ``Semantic Antibodies'', textual descriptions of near-distribution outliers (e.g., look-alikes, contextual anomalies) that effectively bound the decision space of known classes.Extensive experiments on ImageNet-1K and four challenging OOD benchmarks reveal that Immuno-VLM establishes a new state-of-the-art.

Wanlong Fang, Tianle Zhang, Wen Tao et al.

Understanding modality interaction in multimodal large language models (MLLMs) is central to reliable deployment. We introduce Partial Information Decomposition (PID) as a decision-level framework that separates unique, redundant, and synergistic contributions of sensory and linguistic inputs, beyond representation alignment and outcome-based evaluation. Across vision--language benchmarks, PID reveals recurring modality-use profiles: reasoning and grounding-oriented tasks tend to exhibit high synergy, whereas expert and knowledge-oriented tasks show stronger language-unique reliance. These profiles generalize across model families and predict sensitivity to modality-level interventions. We further extend PID to tri-modal systems with Sensory PID, treating language as a control variable to decompose video--audio information gain. Applied to omni-modal models, Sensory PID reveals a sensory synergy bottleneck dominated by visual information even on audio--visual fusion tasks. Finally, PID-guided reweighting provides initial evidence for improving multimodal reasoning and grounding performance.

Xiang Fang, Wanlong Fang

In the era of Large Video-Language Models (LVLMs), the computational necessity of sparse frame sampling creates a fundamental ``temporal gap'', rendering models blind to critical causal transitions. Existing solutions relying on generative hallucination (e.g., latent diffusion) or autoregressive extrapolation often fail to maintain semantic consistency over long horizons, suffering from object vanishing and energetic instability. We propose a paradigm shift from probabilistic generation to variational mechanics with the \textbf{Semantic Least Action Principle (SLAP)}. Drawing a rigorous isomorphism between classical mechanics and semantic dynamics, we model the latent video trajectory as a path on a Riemannian manifold governed by a Semantic Lagrangian. By formulating the interpolation task as a Boundary Value Problem (BVP) solved via the discrete Euler-Lagrange equations, SLAP naturally enforces object persistence without pixel-level rendering. Extensive experiments show the effectiveness of our proposed SLAP.

Xiang Fang, Wanlong Fang, Changshuo Wang et al.

Given some video-query pairs with untrimmed videos and sentence queries, temporal sentence grounding (TSG) aims to locate query-relevant segments in these videos. Although previous respectable TSG methods have achieved remarkable success, they train each video-query pair separately and ignore the relationship between different pairs. We observe that the similar video/query content not only helps the TSG model better understand and generalize the cross-modal representation but also assists the model in locating some complex video-query pairs. Previous methods follow a single-thread framework that cannot co-train different pairs and usually spends much time re-obtaining redundant knowledge, limiting their real-world applications. To this end, in this paper, we pose a brand-new setting: Multi-Pair TSG, which aims to co-train these pairs. In particular, we propose a novel video-query co-training approach, Multi-Thread Knowledge Transfer Network, to locate a variety of video-query pairs effectively and efficiently. Firstly, we mine the spatial and temporal semantics across different queries to cooperate with each other. To learn intra- and inter-modal representations simultaneously, we design a cross-modal contrast module to explore the semantic consistency by a self-supervised strategy. To fully align visual and textual representations between different pairs, we design a prototype alignment strategy to 1) match object prototypes and phrase prototypes for spatial alignment, and 2) align activity prototypes and sentence prototypes for temporal alignment. Finally, we develop an adaptive negative selection module to adaptively generate a threshold for cross-modal matching. Extensive experiments show the effectiveness and efficiency of our proposed method.

Wanlong Fang, Tianle Zhang, Alvin Chan

Multimodal learning often relies on aligning representations across modalities to enable effective information integration, an approach traditionally assumed to be universally beneficial. However, prior research has primarily taken an observational approach, examining naturally occurring alignment in multimodal data and exploring its correlation with model performance, without systematically studying the direct effects of explicitly enforced alignment between representations of different modalities. In this work, we investigate how explicit alignment influences both model performance and representation alignment under different modality-specific information structures. Specifically, we introduce a controllable contrastive learning module that enables precise manipulation of alignment strength during training, allowing us to explore when explicit alignment improves or hinders performance. Our results on synthetic and real datasets under different data characteristics show that the impact of explicit alignment on the performance of unimodal models is related to the characteristics of the data: the optimal level of alignment depends on the amount of redundancy between the different modalities. We identify an optimal alignment strength that balances modality-specific signals and shared redundancy in the mixed information distributions. This work provides practical guidance on when and how explicit alignment should be applied to achieve optimal unimodal encoder performance.

Tianle Zhang, Wanlong Fang, Jonathan Woo et al.

The remarkable performance of Large Language Models (LLMs) can be enhanced with test-time computation, which relies on external tools and even other deep learning models. However, existing approaches for integrating non-text modality representations into LLMs typically require additional costly supervised training, restricting on-the-fly adaptation to new domains and modalities. In this work, we explore the feasibility of integrating representations from non-text foundational models (FMs) into text-based LLMs in a training-free manner. We propose In-Context Representation Learning (ICRL) as a proof-of-concept to allow LLMs to adaptively utilize non-text modality representations with few-shot learning. Unlike traditional in-context learning, which incorporates text-label pairs, ICRL replaces text inputs with FM representations, enabling the LLM to perform multi-modal inference without fine-tuning. We evaluate ICRL on a suite of tasks in the molecular domain, investigating three core research questions: (i) how to map FM representations into LLMs in a training-free manner, (ii) what factors influence ICRL performance, and (iii) what mechanisms underlie the effectiveness of ICRL. To the best of our knowledge, ICRL is the first training-free framework for integrating non-text modality representations into text-based LLMs, presenting a promising direction for adaptable, multi-modal generalization.