Adaptive Substructure-Aware Expert Model for Molecular Property Prediction

Molecular property prediction is essential for applications such as drug discovery and toxicity assessment. While Graph Neural Networks (GNNs) have shown promising results by modeling molecules as molecular graphs, their reliance on data-driven learning limits their ability to generalize, particularly in the presence of data imbalance and diverse molecular substructures. Existing methods often overlook the varying contributions of different substructures to molecular properties, treating them uniformly. To address these challenges, we propose ASE-Mol, a novel GNN-based framework that leverages a Mixture-of-Experts (MoE) approach for molecular property prediction. ASE-Mol incorporates BRICS decomposition and significant substructure awareness to dynamically identify positive and negative substructures. By integrating a MoE architecture, it reduces the adverse impact of negative motifs while improving adaptability to positive motifs. Experimental results on eight benchmark datasets demonstrate that ASE-Mol achieves state-of-the-art performance, with significant improvements in both accuracy and interpretability.

ViM-VQ: Efficient Post-Training Vector Quantization for Visual Mamba

Visual Mamba networks (ViMs) extend the selective space state model (Mamba) to various vision tasks and demonstrate significant potential. Vector quantization (VQ), on the other hand, decomposes network weights into codebooks and assignments, significantly reducing memory usage and computational latency to enable ViMs deployment on edge devices. Although existing VQ methods have achieved extremely low-bit quantization (e.g., 3-bit, 2-bit, and 1-bit) in convolutional neural networks and Transformer-based networks, directly applying these methods to ViMs results in unsatisfactory accuracy. We identify several key challenges: 1) The weights of Mamba-based blocks in ViMs contain numerous outliers, significantly amplifying quantization errors. 2) When applied to ViMs, the latest VQ methods suffer from excessive memory consumption, lengthy calibration procedures, and suboptimal performance in the search for optimal codewords. In this paper, we propose ViM-VQ, an efficient post-training vector quantization method tailored for ViMs. ViM-VQ consists of two innovative components: 1) a fast convex combination optimization algorithm that efficiently updates both the convex combinations and the convex hulls to search for optimal codewords, and 2) an incremental vector quantization strategy that incrementally confirms optimal codewords to mitigate truncation errors. Experimental results demonstrate that ViM-VQ achieves state-of-the-art performance in low-bit quantization across various visual tasks.

Simulating the Real World: A Unified Survey of Multimodal Generative Models

Understanding and replicating the real world is a critical challenge in Artificial General Intelligence (AGI) research. To achieve this, many existing approaches, such as world models, aim to capture the fundamental principles governing the physical world, enabling more accurate simulations and meaningful interactions. However, current methods often treat different modalities, including 2D (images), videos, 3D, and 4D representations, as independent domains, overlooking their interdependencies. Additionally, these methods typically focus on isolated dimensions of reality without systematically integrating their connections. In this survey, we present a unified survey for multimodal generative models that investigate the progression of data dimensionality in real-world simulation. Specifically, this survey starts from 2D generation (appearance), then moves to video (appearance+dynamics) and 3D generation (appearance+geometry), and finally culminates in 4D generation that integrate all dimensions. To the best of our knowledge, this is the first attempt to systematically unify the study of 2D, video, 3D and 4D generation within a single framework. To guide future research, we provide a comprehensive review of datasets, evaluation metrics and future directions, and fostering insights for newcomers. This survey serves as a bridge to advance the study of multimodal generative models and real-world simulation within a unified framework.

Text2VDM: Text to Vector Displacement Maps for Expressive and Interactive 3D Sculpting

Professional 3D asset creation often requires diverse sculpting brushes to add surface details and geometric structures. Despite recent progress in 3D generation, producing reusable sculpting brushes compatible with artists' workflows remains an open and challenging problem. These sculpting brushes are typically represented as vector displacement maps (VDMs), which existing models cannot easily generate compared to natural images. This paper presents Text2VDM, a novel framework for text-to-VDM brush generation through the deformation of a dense planar mesh guided by score distillation sampling (SDS). The original SDS loss is designed for generating full objects and struggles with generating desirable sub-object structures from scratch in brush generation. We refer to this issue as semantic coupling, which we address by introducing classifier-free guidance (CFG) weighted blending of prompt tokens to SDS, resulting in a more accurate target distribution and semantic guidance. Experiments demonstrate that Text2VDM can generate diverse, high-quality VDM brushes for sculpting surface details and geometric structures. Our generated brushes can be seamlessly integrated into mainstream modeling software, enabling various applications such as mesh stylization and real-time interactive modeling.

Spiking Point Transformer for Point Cloud Classification

Spiking Neural Networks (SNNs) offer an attractive and energy-efficient alternative to conventional Artificial Neural Networks (ANNs) due to their sparse binary activation. When SNN meets Transformer, it shows great potential in 2D image processing. However, their application for 3D point cloud remains underexplored. To this end, we present Spiking Point Transformer (SPT), the first transformer-based SNN framework for point cloud classification. Specifically, we first design Queue-Driven Sampling Direct Encoding for point cloud to reduce computational costs while retaining the most effective support points at each time step. We introduce the Hybrid Dynamics Integrate-and-Fire Neuron (HD-IF), designed to simulate selective neuron activation and reduce over-reliance on specific artificial neurons. SPT attains state-of-the-art results on three benchmark datasets that span both real-world and synthetic datasets in the SNN domain. Meanwhile, the theoretical energy consumption of SPT is at least 6.4$\times$ less than its ANN counterpart.

Learning Fused State Representations for Control from Multi-View Observations

Multi-View Reinforcement Learning (MVRL) seeks to provide agents with multi-view observations, enabling them to perceive environment with greater effectiveness and precision. Recent advancements in MVRL focus on extracting latent representations from multiview observations and leveraging them in control tasks. However, it is not straightforward to learn compact and task-relevant representations, particularly in the presence of redundancy, distracting information, or missing views. In this paper, we propose Multi-view Fusion State for Control (MFSC), firstly incorporating bisimulation metric learning into MVRL to learn task-relevant representations. Furthermore, we propose a multiview-based mask and latent reconstruction auxiliary task that exploits shared information across views and improves MFSC's robustness in missing views by introducing a mask token. Extensive experimental results demonstrate that our method outperforms existing approaches in MVRL tasks. Even in more realistic scenarios with interference or missing views, MFSC consistently maintains high performance.

Temporal Preference Optimization for Long-Form Video Understanding

Despite significant advancements in video large multimodal models (video-LMMs), achieving effective temporal grounding in long-form videos remains a challenge for existing models. To address this limitation, we propose Temporal Preference Optimization (TPO), a novel post-training framework designed to enhance the temporal grounding capabilities of video-LMMs through preference learning. TPO adopts a self-training approach that enables models to differentiate between well-grounded and less accurate temporal responses by leveraging curated preference datasets at two granularities: localized temporal grounding, which focuses on specific video segments, and comprehensive temporal grounding, which captures extended temporal dependencies across entire video sequences. By optimizing on these preference datasets, TPO significantly enhances temporal understanding while reducing reliance on manually annotated data. Extensive experiments on three long-form video understanding benchmarks--LongVideoBench, MLVU, and Video-MME--demonstrate the effectiveness of TPO across two state-of-the-art video-LMMs. Notably, LLaVA-Video-TPO establishes itself as the leading 7B model on the Video-MME benchmark, underscoring the potential of TPO as a scalable and efficient solution for advancing temporal reasoning in long-form video understanding. Project page: https://ruili33.github.io/tpo_website.

AdaServe: SLO-Customized LLM Serving with Fine-Grained Speculative Decoding

This paper introduces AdaServe, the first LLM serving system to support SLO customization through fine-grained speculative decoding. AdaServe leverages the logits of a draft model to predict the speculative accuracy of tokens and employs a theoretically optimal algorithm to construct token trees for verification. To accommodate diverse SLO requirements without compromising throughput, AdaServe employs a speculation-and-selection scheme that first constructs candidate token trees for each request and then dynamically selects tokens to meet individual SLO constraints while optimizing throughput. Comprehensive evaluations demonstrate that AdaServe achieves up to 73% higher SLO attainment and 74% higher goodput compared to state-of-the-art systems. These results underscore AdaServe's potential to enhance the efficiency and adaptability of LLM deployments across varied application scenarios.

Double Visual Defense: Adversarial Pre-training and Instruction Tuning for Improving Vision-Language Model Robustness

This paper investigates the robustness of vision-language models against adversarial visual perturbations and introduces a novel ``double visual defense" to enhance this robustness. Unlike previous approaches that resort to lightweight adversarial fine-tuning of a pre-trained CLIP model, we perform large-scale adversarial vision-language pre-training from scratch using web-scale data. We then strengthen the defense by incorporating adversarial visual instruction tuning. The resulting models from each stage, $\Delta$CLIP and $\Delta^2$LLaVA, show substantially enhanced zero-shot robustness and set a new state-of-the-art in adversarial defense for vision-language models. For example, the adversarial robustness of $\Delta$CLIP surpasses that of the previous best models on ImageNet-1k by ~20%. %For example, $\Delta$CLIP surpasses the previous best models on ImageNet-1k by ~20% in terms of adversarial robustness. Similarly, compared to prior art, $\Delta^2$LLaVA brings a ~30% robustness improvement to image captioning task and a ~20% robustness improvement to visual question answering task. Furthermore, our models exhibit stronger zero-shot recognition capability, fewer hallucinations, and superior reasoning performance compared to baselines. Our project page is https://doublevisualdefense.github.io/.

Efficient Parallel Genetic Algorithm for Perturbed Substructure Optimization in Complex Network

Evolutionary computing, particularly genetic algorithm (GA), is a combinatorial optimization method inspired by natural selection and the transmission of genetic information, which is widely used to identify optimal solutions to complex problems through simulated programming and iteration. Due to its strong adaptability, flexibility, and robustness, GA has shown significant performance and potentiality on perturbed substructure optimization (PSSO), an important graph mining problem that achieves its goals by modifying network structures. However, the efficiency and practicality of GA-based PSSO face enormous challenges due to the complexity and diversity of application scenarios. While some research has explored acceleration frameworks in evolutionary computing, their performance on PSSO remains limited due to a lack of scenario generalizability. Based on these, this paper is the first to present the GA-based PSSO Acceleration framework (GAPA), which simplifies the GA development process and supports distributed acceleration. Specifically, it reconstructs the genetic operation and designs a development framework for efficient parallel acceleration. Meanwhile, GAPA includes an extensible library that optimizes and accelerates 10 PSSO algorithms, covering 4 crucial tasks for graph mining. Comprehensive experiments on 18 datasets across 4 tasks and 10 algorithms effectively demonstrate the superiority of GAPA, achieving an average of 4x the acceleration of Evox. The repository is in https://github.com/NetAlsGroup/GAPA.