Language model driven: a PROTAC generation pipeline with dual constraints of structure and property

The imperfect modeling of ternary complexes has limited the application of computer-aided drug discovery tools in PROTAC research and development. In this study, an AI-assisted approach for PROTAC molecule design pipeline named LM-PROTAC was developed, which stands for language model driven Proteolysis Targeting Chimera, by embedding a transformer-based generative model with dual constraints on structure and properties, referred to as the DCT. This study utilized the fragmentation representation of molecules and developed a language model driven pipeline. Firstly, a language model driven affinity model for protein compounds to screen molecular fragments with high affinity for the target protein. Secondly, structural and physicochemical properties of these fragments were constrained during the generation process to meet specific scenario requirements. Finally, a two-round screening of the preliminary generated molecules using a multidimensional property prediction model to generate a batch of PROTAC molecules capable of degrading disease-relevant target proteins for validation in vitro experiments, thus achieving a complete solution for AI-assisted PROTAC drug generation. Taking the tumor key target Wnt3a as an example, the LM-PROTAC pipeline successfully generated PROTAC molecules capable of inhibiting Wnt3a. The results show that DCT can efficiently generate PROTAC that targets and hydrolyses Wnt3a.

LESS: Label-Efficient and Single-Stage Referring 3D Segmentation

Referring 3D Segmentation is a visual-language task that segments all points of the specified object from a 3D point cloud described by a sentence of query. Previous works perform a two-stage paradigm, first conducting language-agnostic instance segmentation then matching with given text query. However, the semantic concepts from text query and visual cues are separately interacted during the training, and both instance and semantic labels for each object are required, which is time consuming and human-labor intensive. To mitigate these issues, we propose a novel Referring 3D Segmentation pipeline, Label-Efficient and Single-Stage, dubbed LESS, which is only under the supervision of efficient binary mask. Specifically, we design a Point-Word Cross-Modal Alignment module for aligning the fine-grained features of points and textual embedding. Query Mask Predictor module and Query-Sentence Alignment module are introduced for coarse-grained alignment between masks and query. Furthermore, we propose an area regularization loss, which coarsely reduces irrelevant background predictions on a large scale. Besides, a point-to-point contrastive loss is proposed concentrating on distinguishing points with subtly similar features. Through extensive experiments, we achieve state-of-the-art performance on ScanRefer dataset by surpassing the previous methods about 3.7% mIoU using only binary labels.

CoMamba: Real-time Cooperative Perception Unlocked with State Space Models

Cooperative perception systems play a vital role in enhancing the safety and efficiency of vehicular autonomy. Although recent studies have highlighted the efficacy of vehicle-to-everything (V2X) communication techniques in autonomous driving, a significant challenge persists: how to efficiently integrate multiple high-bandwidth features across an expanding network of connected agents such as vehicles and infrastructure. In this paper, we introduce CoMamba, a novel cooperative 3D detection framework designed to leverage state-space models for real-time onboard vehicle perception. Compared to prior state-of-the-art transformer-based models, CoMamba enjoys being a more scalable 3D model using bidirectional state space models, bypassing the quadratic complexity pain-point of attention mechanisms. Through extensive experimentation on V2X/V2V datasets, CoMamba achieves superior performance compared to existing methods while maintaining real-time processing capabilities. The proposed framework not only enhances object detection accuracy but also significantly reduces processing time, making it a promising solution for next-generation cooperative perception systems in intelligent transportation networks.

When Video Coding Meets Multimodal Large Language Models: A Unified Paradigm for Video Coding

Existing codecs are designed to eliminate intrinsic redundancies to create a compact representation for compression. However, strong external priors from Multimodal Large Language Models (MLLMs) have not been explicitly explored in video compression. Herein, we introduce a unified paradigm for Cross-Modality Video Coding (CMVC), which is a pioneering approach to explore multimodality representation and video generative models in video coding. Specifically, on the encoder side, we disentangle a video into spatial content and motion components, which are subsequently transformed into distinct modalities to achieve very compact representation by leveraging MLLMs. During decoding, previously encoded components and video generation models are leveraged to create multiple encoding-decoding modes that optimize video reconstruction quality for specific decoding requirements, including Text-Text-to-Video (TT2V) mode to ensure high-quality semantic information and Image-Text-to-Video (IT2V) mode to achieve superb perceptual consistency. In addition, we propose an efficient frame interpolation model for IT2V mode via Low-Rank Adaption (LoRA) tuning to guarantee perceptual quality, which allows the generated motion cues to behave smoothly. Experiments on benchmarks indicate that TT2V achieves effective semantic reconstruction, while IT2V exhibits competitive perceptual consistency. These results highlight potential directions for future research in video coding.

3D Weakly Supervised Semantic Segmentation with 2D Vision-Language Guidance

In this paper, we propose 3DSS-VLG, a weakly supervised approach for 3D Semantic Segmentation with 2D Vision-Language Guidance, an alternative approach that a 3D model predicts dense-embedding for each point which is co-embedded with both the aligned image and text spaces from the 2D vision-language model. Specifically, our method exploits the superior generalization ability of the 2D vision-language models and proposes the Embeddings Soft-Guidance Stage to utilize it to implicitly align 3D embeddings and text embeddings. Moreover, we introduce the Embeddings Specialization Stage to purify the feature representation with the help of a given scene-level label, specifying a better feature supervised by the corresponding text embedding. Thus, the 3D model is able to gain informative supervisions both from the image embedding and text embedding, leading to competitive segmentation performances. To the best of our knowledge, this is the first work to investigate 3D weakly supervised semantic segmentation by using the textual semantic information of text category labels. Moreover, with extensive quantitative and qualitative experiments, we present that our 3DSS-VLG is able not only to achieve the state-of-the-art performance on both S3DIS and ScanNet datasets, but also to maintain strong generalization capability.

Enhancing Robustness of Vision-Language Models through Orthogonality Learning and Cross-Regularization

Efficient finetuning of vision-language models (VLMs) like CLIP for specific downstream tasks is gaining significant attention. Previous works primarily focus on prompt learning to adapt the CLIP into a variety of downstream tasks, however, suffering from task overfitting when finetuned on a small data set. In this paper, we introduce an orthogonal finetuning method for efficiently updating pretrained weights which enhances robustness and generalization, while a cross-regularization strategy is further exploited to maintain the stability in terms of zero-shot generalization of VLMs, dubbed \textbf{\textit{OrthCR}}. Specifically, trainable orthogonal matrices are injected seamlessly into the transformer architecture and enforced with orthogonality constraint using Cayley parameterization, benefiting from the norm-preserving property and thus leading to stable and faster convergence. To alleviate deviation from orthogonal constraint during training, a cross-regularization strategy is further employed with initial pretrained weights within a bypass manner. In addition, to enrich the sample diversity for downstream tasks, we first explore Cutout data augmentation to boost the efficient finetuning and comprehend how our approach improves the specific downstream performance and maintains the generalizability in the perspective of Orthogonality Learning. Beyond existing prompt learning techniques, we conduct extensive experiments to demonstrate that our method explicitly steers pretrained weight space to represent the task-specific knowledge and presents competitive generalizability under \textit{base-to-base/base-to-new}, \textit{cross-dataset transfer} and \textit{domain generalization} evaluations.

From Overfitting to Robustness: Quantity, Quality, and Variety Oriented Negative Sample Selection in Graph Contrastive Learning

Graph contrastive learning (GCL) aims to contrast positive-negative counterparts to learn the node embeddings, whereas graph data augmentation methods are employed to generate these positive-negative samples. The variation, quantity, and quality of negative samples compared to positive samples play crucial roles in learning meaningful embeddings for node classification downstream tasks. Less variation, excessive quantity, and low-quality negative samples cause the model to be overfitted for particular nodes, resulting in less robust models. To solve the overfitting problem in the GCL paradigm, this study proposes a novel Cumulative Sample Selection (CSS) algorithm by comprehensively considering negative samples' quality, variations, and quantity. Initially, three negative sample pools are constructed: easy, medium, and hard negative samples, which contain 25%, 50%, and 25% of the total available negative samples, respectively. Then, 10% negative samples are selected from each of these three negative sample pools for training the model. After that, a decision agent module evaluates model training results and decides whether to explore more negative samples from three negative sample pools by increasing the ratio or keep exploiting the current sampling ratio. The proposed algorithm is integrated into a proposed graph contrastive learning framework named NegAmplify. NegAmplify is compared with the SOTA methods on nine graph node classification datasets, with seven achieving better node classification accuracy with up to 2.86% improvement.

Light the Night: A Multi-Condition Diffusion Framework for Unpaired Low-Light Enhancement in Autonomous Driving

Vision-centric perception systems for autonomous driving have gained considerable attention recently due to their cost-effectiveness and scalability, especially compared to LiDAR-based systems. However, these systems often struggle in low-light conditions, potentially compromising their performance and safety. To address this, our paper introduces LightDiff, a domain-tailored framework designed to enhance the low-light image quality for autonomous driving applications. Specifically, we employ a multi-condition controlled diffusion model. LightDiff works without any human-collected paired data, leveraging a dynamic data degradation process instead. It incorporates a novel multi-condition adapter that adaptively controls the input weights from different modalities, including depth maps, RGB images, and text captions, to effectively illuminate dark scenes while maintaining context consistency. Furthermore, to align the enhanced images with the detection model's knowledge, LightDiff employs perception-specific scores as rewards to guide the diffusion training process through reinforcement learning. Extensive experiments on the nuScenes datasets demonstrate that LightDiff can significantly improve the performance of several state-of-the-art 3D detectors in night-time conditions while achieving high visual quality scores, highlighting its potential to safeguard autonomous driving.

V2X-DGW: Domain Generalization for Multi-agent Perception under Adverse Weather Conditions

Current LiDAR-based Vehicle-to-Everything (V2X) multi-agent perception systems have shown the significant success on 3D object detection. While these models perform well in the trained clean weather, they struggle in unseen adverse weather conditions with the real-world domain gap. In this paper, we propose a domain generalization approach, named V2X-DGW, for LiDAR-based 3D object detection on multi-agent perception system under adverse weather conditions. Not only in the clean weather does our research aim to ensure favorable multi-agent performance, but also in the unseen adverse weather conditions by learning only on the clean weather data. To advance research in this area, we have simulated the impact of three prevalent adverse weather conditions on two widely-used multi-agent datasets, resulting in the creation of two novel benchmark datasets: OPV2V-w and V2XSet-w. To this end, we first introduce the Adaptive Weather Augmentation (AWA) to mimic the unseen adverse weather conditions, and then propose two alignments for generalizable representation learning: Trust-region Weather-invariant Alignment (TWA) and Agent-aware Contrastive Alignment (ACA). Extensive experimental results demonstrate that our V2X-DGW achieved improvements in the unseen adverse weather conditions.

Breaking Data Silos: Cross-Domain Learning for Multi-Agent Perception from Independent Private Sources

The diverse agents in multi-agent perception systems may be from different companies. Each company might use the identical classic neural network architecture based encoder for feature extraction. However, the data source to train the various agents is independent and private in each company, leading to the Distribution Gap of different private data for training distinct agents in multi-agent perception system. The data silos by the above Distribution Gap could result in a significant performance decline in multi-agent perception. In this paper, we thoroughly examine the impact of the distribution gap on existing multi-agent perception systems. To break the data silos, we introduce the Feature Distribution-aware Aggregation (FDA) framework for cross-domain learning to mitigate the above Distribution Gap in multi-agent perception. FDA comprises two key components: Learnable Feature Compensation Module and Distribution-aware Statistical Consistency Module, both aimed at enhancing intermediate features to minimize the distribution gap among multi-agent features. Intensive experiments on the public OPV2V and V2XSet datasets underscore FDA's effectiveness in point cloud-based 3D object detection, presenting it as an invaluable augmentation to existing multi-agent perception systems.