A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery

Structure-based drug discovery (SBDD) is a systematic scientific process that develops new drugs by leveraging the detailed physical structure of the target protein. Recent advancements in pre-trained models for biomolecules have demonstrated remarkable success across various biochemical applications, including drug discovery and protein engineering. However, in most approaches, the pre-trained models primarily focus on the characteristics of either small molecules or proteins, without delving into their binding interactions which are essential cross-domain relationships pivotal to SBDD. To fill this gap, we propose a general-purpose foundation model named BIT (an abbreviation for Biomolecular Interaction Transformer), which is capable of encoding a range of biochemical entities, including small molecules, proteins, and protein-ligand complexes, as well as various data formats, encompassing both 2D and 3D structures. Specifically, we introduce Mixture-of-Domain-Experts (MoDE) to handle the biomolecules from diverse biochemical domains and Mixture-of-Structure-Experts (MoSE) to capture positional dependencies in the molecular structures. The proposed mixture-of-experts approach enables BIT to achieve both deep fusion and domain-specific encoding, effectively capturing fine-grained molecular interactions within protein-ligand complexes. Then, we perform cross-domain pre-training on the shared Transformer backbone via several unified self-supervised denoising tasks. Experimental results on various benchmarks demonstrate that BIT achieves exceptional performance in downstream tasks, including binding affinity prediction, structure-based virtual screening, and molecular property prediction.

Advancing vision-language models in front-end development via data synthesis

Modern front-end (FE) development, especially when leveraging the unique features of frameworks like React and Vue, presents distinctive challenges. These include managing modular architectures, ensuring synchronization between data and visual outputs for declarative rendering, and adapting reusable components to various scenarios. Such complexities make it particularly difficult for state-of-the-art large vision-language models (VLMs) to generate accurate and functional code directly from design images. To address these challenges, we propose a reflective agentic workflow that synthesizes high-quality image-text data to capture the diverse characteristics of FE development. This workflow automates the extraction of self-contained\footnote{A \textbf{self-contained} code snippet is one that encapsulates all necessary logic, styling, and dependencies, ensuring it functions independently without requiring external imports or context.} code snippets from real-world projects, renders the corresponding visual outputs, and generates detailed descriptions that link design elements to functional code. To further expand the scope and utility of the synthesis, we introduce three data synthesis strategies: Evolution-based synthesis, which enables scalable and diverse dataset expansion; Waterfall-Model-based synthesis, which generates logically coherent code derived from system requirements; and Additive Development synthesis, which iteratively increases the complexity of human-authored components. We build a large vision-language model, Flame, trained on the synthesized datasets and demonstrate its effectiveness in generating React code via the $\text{pass}@k$ metric. Our results suggest that a code VLM trained to interpret images before code generation may achieve better performance.

No Parameters, No Problem: 3D Gaussian Splatting without Camera Intrinsics and Extrinsics

While 3D Gaussian Splatting (3DGS) has made significant progress in scene reconstruction and novel view synthesis, it still heavily relies on accurately pre-computed camera intrinsics and extrinsics, such as focal length and camera poses. In order to mitigate this dependency, the previous efforts have focused on optimizing 3DGS without the need for camera poses, yet camera intrinsics remain necessary. To further loose the requirement, we propose a joint optimization method to train 3DGS from an image collection without requiring either camera intrinsics or extrinsics. To achieve this goal, we introduce several key improvements during the joint training of 3DGS. We theoretically derive the gradient of the camera intrinsics, allowing the camera intrinsics to be optimized simultaneously during training. Moreover, we integrate global track information and select the Gaussian kernels associated with each track, which will be trained and automatically rescaled to an infinitesimally small size, closely approximating surface points, and focusing on enforcing multi-view consistency and minimizing reprojection errors, while the remaining kernels continue to serve their original roles. This hybrid training strategy nicely unifies the camera parameters estimation and 3DGS training. Extensive evaluations demonstrate that the proposed method achieves state-of-the-art (SOTA) performance on both public and synthetic datasets.

CoL3D: Collaborative Learning of Single-view Depth and Camera Intrinsics for Metric 3D Shape Recovery

Recovering the metric 3D shape from a single image is particularly relevant for robotics and embodied intelligence applications, where accurate spatial understanding is crucial for navigation and interaction with environments. Usually, the mainstream approaches achieve it through monocular depth estimation. However, without camera intrinsics, the 3D metric shape can not be recovered from depth alone. In this study, we theoretically demonstrate that depth serves as a 3D prior constraint for estimating camera intrinsics and uncover the reciprocal relations between these two elements. Motivated by this, we propose a collaborative learning framework for jointly estimating depth and camera intrinsics, named CoL3D, to learn metric 3D shapes from single images. Specifically, CoL3D adopts a unified network and performs collaborative optimization at three levels: depth, camera intrinsics, and 3D point clouds. For camera intrinsics, we design a canonical incidence field mechanism as a prior that enables the model to learn the residual incident field for enhanced calibration. Additionally, we incorporate a shape similarity measurement loss in the point cloud space, which improves the quality of 3D shapes essential for robotic applications. As a result, when training and testing on a single dataset with in-domain settings, CoL3D delivers outstanding performance in both depth estimation and camera calibration across several indoor and outdoor benchmark datasets, which leads to remarkable 3D shape quality for the perception capabilities of robots.

PTZ-Calib: Robust Pan-Tilt-Zoom Camera Calibration

In this paper, we present PTZ-Calib, a robust two-stage PTZ camera calibration method, that efficiently and accurately estimates camera parameters for arbitrary viewpoints. Our method includes an offline and an online stage. In the offline stage, we first uniformly select a set of reference images that sufficiently overlap to encompass a complete 360{\deg} view. We then utilize the novel PTZ-IBA (PTZ Incremental Bundle Adjustment) algorithm to automatically calibrate the cameras within a local coordinate system. Additionally, for practical application, we can further optimize camera parameters and align them with the geographic coordinate system using extra global reference 3D information. In the online stage, we formulate the calibration of any new viewpoints as a relocalization problem. Our approach balances the accuracy and computational efficiency to meet real-world demands. Extensive evaluations demonstrate our robustness and superior performance over state-of-the-art methods on various real and synthetic datasets. Datasets and source code can be accessed online at https://github.com/gjgjh/PTZ-Calib

GENERator: A Long-Context Generative Genomic Foundation Model

Advancements in DNA sequencing technologies have significantly improved our ability to decode genomic sequences. However, the prediction and interpretation of these sequences remain challenging due to the intricate nature of genetic material. Large language models (LLMs) have introduced new opportunities for biological sequence analysis. Recent developments in genomic language models have underscored the potential of LLMs in deciphering DNA sequences. Nonetheless, existing models often face limitations in robustness and application scope, primarily due to constraints in model structure and training data scale. To address these limitations, we present GENERator, a generative genomic foundation model featuring a context length of 98k base pairs (bp) and 1.2B parameters. Trained on an expansive dataset comprising 386B bp of eukaryotic DNA, the GENERator demonstrates state-of-the-art performance across both established and newly proposed benchmarks. The model adheres to the central dogma of molecular biology, accurately generating protein-coding sequences that translate into proteins structurally analogous to known families. It also shows significant promise in sequence optimization, particularly through the prompt-responsive generation of promoter sequences with specific activity profiles. These capabilities position the GENERator as a pivotal tool for genomic research and biotechnological advancement, enhancing our ability to interpret and predict complex biological systems and enabling precise genomic interventions.

Not Every Patch is Needed: Towards a More Efficient and Effective Backbone for Video-based Person Re-identification

This paper proposes a new effective and efficient plug-and-play backbone for video-based person re-identification (ReID). Conventional video-based ReID methods typically use CNN or transformer backbones to extract deep features for every position in every sampled video frame. Here, we argue that this exhaustive feature extraction could be unnecessary, since we find that different frames in a ReID video often exhibit small differences and contain many similar regions due to the relatively slight movements of human beings. Inspired by this, a more selective, efficient paradigm is explored in this paper. Specifically, we introduce a patch selection mechanism to reduce computational cost by choosing only the crucial and non-repetitive patches for feature extraction. Additionally, we present a novel network structure that generates and utilizes pseudo frame global context to address the issue of incomplete views resulting from sparse inputs. By incorporating these new designs, our backbone can achieve both high performance and low computational cost. Extensive experiments on multiple datasets show that our approach reduces the computational cost by 74\% compared to ViT-B and 28\% compared to ResNet50, while the accuracy is on par with ViT-B and outperforms ResNet50 significantly.

ROUTE: Robust Multitask Tuning and Collaboration for Text-to-SQL

Despite the significant advancements in Text-to-SQL (Text2SQL) facilitated by large language models (LLMs), the latest state-of-the-art techniques are still trapped in the in-context learning of closed-source LLMs (e.g., GPT-4), which limits their applicability in open scenarios. To address this challenge, we propose a novel RObust mUltitask Tuning and collaboration mEthod (ROUTE) to improve the comprehensive capabilities of open-source LLMs for Text2SQL, thereby providing a more practical solution. Our approach begins with multi-task supervised fine-tuning (SFT) using various synthetic training data related to SQL generation. Unlike existing SFT-based Text2SQL methods, we introduced several additional SFT tasks, including schema linking, noise correction, and continuation writing. Engaging in a variety of SQL generation tasks enhances the model's understanding of SQL syntax and improves its ability to generate high-quality SQL queries. Additionally, inspired by the collaborative modes of LLM agents, we introduce a Multitask Collaboration Prompting (MCP) strategy. This strategy leverages collaboration across several SQL-related tasks to reduce hallucinations during SQL generation, thereby maximizing the potential of enhancing Text2SQL performance through explicit multitask capabilities. Extensive experiments and in-depth analyses have been performed on eight open-source LLMs and five widely-used benchmarks. The results demonstrate that our proposal outperforms the latest Text2SQL methods and yields leading performance.

HybridGS: Decoupling Transients and Statics with 2D and 3D Gaussian Splatting

Generating high-quality novel view renderings of 3D Gaussian Splatting (3DGS) in scenes featuring transient objects is challenging. We propose a novel hybrid representation, termed as HybridGS, using 2D Gaussians for transient objects per image and maintaining traditional 3D Gaussians for the whole static scenes. Note that, the 3DGS itself is better suited for modeling static scenes that assume multi-view consistency, but the transient objects appear occasionally and do not adhere to the assumption, thus we model them as planar objects from a single view, represented with 2D Gaussians. Our novel representation decomposes the scene from the perspective of fundamental viewpoint consistency, making it more reasonable. Additionally, we present a novel multi-view regulated supervision method for 3DGS that leverages information from co-visible regions, further enhancing the distinctions between the transients and statics. Then, we propose a straightforward yet effective multi-stage training strategy to ensure robust training and high-quality view synthesis across various settings. Experiments on benchmark datasets show our state-of-the-art performance of novel view synthesis in both indoor and outdoor scenes, even in the presence of distracting elements.

Seeing Clearly by Layer Two: Enhancing Attention Heads to Alleviate Hallucination in LVLMs

The hallucination problem in multimodal large language models (MLLMs) remains a common issue. Although image tokens occupy a majority of the input sequence of MLLMs, there is limited research to explore the relationship between image tokens and hallucinations. In this paper, we analyze the distribution of attention scores for image tokens across each layer and head of the model, revealing an intriguing and common phenomenon: most hallucinations are closely linked to the pattern of attention sinks in the self-attention matrix of image tokens, where shallow layers exhibit dense attention sinks and deeper layers show sparse attention sinks. We further analyze the attention heads of different layers and find that heads with high-density attention sink in the image part play a positive role in alleviating hallucinations. In this paper, we propose a training-free method named \textcolor{red}{\textbf{E}}nhancing \textcolor{red}{\textbf{A}}ttention \textcolor{red}{\textbf{H}}eads (EAH), an approach designed to enhance the convergence of image tokens attention sinks in the shallow layers. EAH identifies the attention head that shows the vision sink in a shallow layer and extracts its attention matrix. This attention map is then broadcast to other heads in the layer, thereby strengthening the layer to pay more attention to the image itself. With extensive experiments, EAH shows significant hallucination-mitigating performance on different MLLMs and metrics, proving its effectiveness and generality.