Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, China, Shanghai Branch, CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Shanghai, China, Shanghai Research Center for Quantum Sciences, Shanghai, China
Abstract:Current video diffusion models achieve impressive generation quality but struggle in interactive applications due to bidirectional attention dependencies. The generation of a single frame requires the model to process the entire sequence, including the future. We address this limitation by adapting a pretrained bidirectional diffusion transformer to a causal transformer that generates frames on-the-fly. To further reduce latency, we extend distribution matching distillation (DMD) to videos, distilling 50-step diffusion model into a 4-step generator. To enable stable and high-quality distillation, we introduce a student initialization scheme based on teacher's ODE trajectories, as well as an asymmetric distillation strategy that supervises a causal student model with a bidirectional teacher. This approach effectively mitigates error accumulation in autoregressive generation, allowing long-duration video synthesis despite training on short clips. Our model supports fast streaming generation of high quality videos at 9.4 FPS on a single GPU thanks to KV caching. Our approach also enables streaming video-to-video translation, image-to-video, and dynamic prompting in a zero-shot manner. We will release the code based on an open-source model in the future.
Abstract:Current image generation models can effortlessly produce high-quality, highly realistic images, but this also increases the risk of misuse. In various Text-to-Image or Image-to-Image tasks, attackers can generate a series of images containing inappropriate content by simply editing the language modality input. Currently, to prevent this security threat, the various guard or defense methods that are proposed also focus on defending the language modality. However, in practical applications, threats in the visual modality, particularly in tasks involving the editing of real-world images, pose greater security risks as they can easily infringe upon the rights of the image owner. Therefore, this paper uses a method named typographic attack to reveal that various image generation models also commonly face threats in the vision modality. Furthermore, we also evaluate the defense performance of various existing methods when facing threats in the vision modality and uncover their ineffectiveness. Finally, we propose the Vision Modal Threats in Image Generation Models (VMT-IGMs) dataset, which would serve as a baseline for evaluating the vision modality vulnerability of various image generation models.
Abstract:The alignment of large language models (LLMs) with human preferences remains a key challenge. While post-training techniques like Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) have achieved notable success, they often introduce computational inefficiencies and training instability. In this paper, we propose Feature-level constrained Preference Optimization (FPO), a novel method designed to simplify the alignment process while ensuring stability. FPO leverages pre-trained Sparse Autoencoders (SAEs) and introduces feature-level constraints, allowing for efficient, sparsity-enforced alignment. Our approach enjoys efficiency by using sparse features activated in a well-trained sparse autoencoder and the quality of sequential KL divergence by using the feature-level offline reference. Experimental results on benchmark datasets demonstrate that FPO achieves a 5.08% absolute improvement in win rate with much lower computational cost compared to state-of-the-art baselines, making it a promising solution for efficient and controllable LLM alignments.
Abstract:In the drug discovery process, the low success rate of drug candidate screening often leads to insufficient labeled data, causing the few-shot learning problem in molecular property prediction. Existing methods for few-shot molecular property prediction overlook the sample selection bias, which arises from non-random sample selection in chemical experiments. This bias in data representativeness leads to suboptimal performance. To overcome this challenge, we present a novel method named contextual representation anchor Network (CRA), where an anchor refers to a cluster center of the representations of molecules and serves as a bridge to transfer enriched contextual knowledge into molecular representations and enhance their expressiveness. CRA introduces a dual-augmentation mechanism that includes context augmentation, which dynamically retrieves analogous unlabeled molecules and captures their task-specific contextual knowledge to enhance the anchors, and anchor augmentation, which leverages the anchors to augment the molecular representations. We evaluate our approach on the MoleculeNet and FS-Mol benchmarks, as well as in domain transfer experiments. The results demonstrate that CRA outperforms the state-of-the-art by 2.60% and 3.28% in AUC and $\Delta$AUC-PR metrics, respectively, and exhibits superior generalization capabilities.
Abstract:This paper introduces NeuGPT, a groundbreaking multi-modal language generation model designed to harmonize the fragmented landscape of neural recording research. Traditionally, studies in the field have been compartmentalized by signal type, with EEG, MEG, ECoG, SEEG, fMRI, and fNIRS data being analyzed in isolation. Recognizing the untapped potential for cross-pollination and the adaptability of neural signals across varying experimental conditions, we set out to develop a unified model capable of interfacing with multiple modalities. Drawing inspiration from the success of pre-trained large models in NLP, computer vision, and speech processing, NeuGPT is architected to process a diverse array of neural recordings and interact with speech and text data. Our model mainly focus on brain-to-text decoding, improving SOTA from 6.94 to 12.92 on BLEU-1 and 6.93 to 13.06 on ROUGE-1F. It can also simulate brain signals, thereby serving as a novel neural interface. Code is available at \href{https://github.com/NeuSpeech/NeuGPT}{NeuSpeech/NeuGPT (https://github.com/NeuSpeech/NeuGPT) .}
Abstract:Multivariate Time series forecasting is crucial in domains such as transportation, meteorology, and finance, especially for predicting extreme weather events. State-of-the-art methods predominantly rely on Transformer architectures, which utilize attention mechanisms to capture temporal dependencies. However, these methods are hindered by quadratic time complexity, limiting the model's scalability with respect to input sequence length. This significantly restricts their practicality in the real world. Mamba, based on state space models (SSM), provides a solution with linear time complexity, increasing the potential for efficient forecasting of sequential data. In this study, we propose UmambaTSF, a novel long-term time series forecasting framework that integrates multi-scale feature extraction capabilities of U-shaped encoder-decoder multilayer perceptrons (MLP) with Mamba's long sequence representation. To improve performance and efficiency, the Mamba blocks introduced in the framework adopt a refined residual structure and adaptable design, enabling the capture of unique temporal signals and flexible channel processing. In the experiments, UmambaTSF achieves state-of-the-art performance and excellent generality on widely used benchmark datasets while maintaining linear time complexity and low memory consumption.
Abstract:Multimodal Large Language Models (MLLMs), such as GPT4o, have shown strong capabilities in visual reasoning and explanation generation. However, despite these strengths, they face significant challenges in the increasingly critical task of Image Forgery Detection and Localization (IFDL). Moreover, existing IFDL methods are typically limited to the learning of low-level semantic-agnostic clues and merely provide a single outcome judgment. To tackle these issues, we propose ForgeryGPT, a novel framework that advances the IFDL task by capturing high-order forensics knowledge correlations of forged images from diverse linguistic feature spaces, while enabling explainable generation and interactive dialogue through a newly customized Large Language Model (LLM) architecture. Specifically, ForgeryGPT enhances traditional LLMs by integrating the Mask-Aware Forgery Extractor, which enables the excavating of precise forgery mask information from input images and facilitating pixel-level understanding of tampering artifacts. The Mask-Aware Forgery Extractor consists of a Forgery Localization Expert (FL-Expert) and a Mask Encoder, where the FL-Expert is augmented with an Object-agnostic Forgery Prompt and a Vocabulary-enhanced Vision Encoder, allowing for effectively capturing of multi-scale fine-grained forgery details. To enhance its performance, we implement a three-stage training strategy, supported by our designed Mask-Text Alignment and IFDL Task-Specific Instruction Tuning datasets, which align vision-language modalities and improve forgery detection and instruction-following capabilities. Extensive experiments demonstrate the effectiveness of the proposed method.
Abstract:Learning-based simulators show great potential for simulating particle dynamics when 3D groundtruth is available, but per-particle correspondences are not always accessible. The development of neural rendering presents a new solution to this field to learn 3D dynamics from 2D images by inverse rendering. However, existing approaches still suffer from ill-posed natures resulting from the 2D to 3D uncertainty, for example, specific 2D images can correspond with various 3D particle distributions. To mitigate such uncertainty, we consider a conventional, mechanically interpretable framework as the physical priors and extend it to a learning-based version. In brief, we incorporate the learnable graph kernels into the classic Discrete Element Analysis (DEA) framework to implement a novel mechanics-integrated learning system. In this case, the graph network kernels are only used for approximating some specific mechanical operators in the DEA framework rather than the whole dynamics mapping. By integrating the strong physics priors, our methods can effectively learn the dynamics of various materials from the partial 2D observations in a unified manner. Experiments show that our approach outperforms other learned simulators by a large margin in this context and is robust to different renderers, fewer training samples, and fewer camera views.
Abstract:Large language models (LLMs) have significantly advanced performance across a spectrum of natural language processing (NLP) tasks. Yet, their application to knowledge graphs (KGs), which describe facts in the form of triplets and allow minimal hallucinations, remains an underexplored frontier. In this paper, we investigate the integration of LLMs with KGs by introducing a specialized KG Language (KGL), where a sentence precisely consists of an entity noun, a relation verb, and ends with another entity noun. Despite KGL's unfamiliar vocabulary to the LLM, we facilitate its learning through a tailored dictionary and illustrative sentences, and enhance context understanding via real-time KG context retrieval and KGL token embedding augmentation. Our results reveal that LLMs can achieve fluency in KGL, drastically reducing errors compared to conventional KG embedding methods on KG completion. Furthermore, our enhanced LLM shows exceptional competence in generating accurate three-word sentences from an initial entity and interpreting new unseen terms out of KGs.
Abstract:Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology, and enzyme engineering. Recent breakthroughs in Artificial Intelligence (AI) have revolutionized biomolecular research, achieving remarkable accuracy in biomolecular prediction and design. However, a critical gap remains between AI's computational power and researchers' intuition, using natural language to align molecular complexity with human intentions. Large Language Models (LLMs) have shown potential to interpret human intentions, yet their application to biomolecular research remains nascent due to challenges including specialized knowledge requirements, multimodal data integration, and semantic alignment between natural language and biomolecules. To address these limitations, we present InstructBioMol, a novel LLM designed to bridge natural language and biomolecules through a comprehensive any-to-any alignment of natural language, molecules, and proteins. This model can integrate multimodal biomolecules as input, and enable researchers to articulate design goals in natural language, providing biomolecular outputs that meet precise biological needs. Experimental results demonstrate InstructBioMol can understand and design biomolecules following human instructions. Notably, it can generate drug molecules with a 10% improvement in binding affinity and design enzymes that achieve an ESP Score of 70.4, making it the only method to surpass the enzyme-substrate interaction threshold of 60.0 recommended by the ESP developer. This highlights its potential to transform real-world biomolecular research.