Yangyang Zhang

Jike Wang, Rui Qin, Mingyang Wang et al.

Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery lack the ability to comprehend three-dimensional (3D) structures, thereby limiting their effectiveness in tasks that explicitly involve molecular conformations. In this study, we introduced Token-Mol, a token-only 3D drug design model. This model encodes all molecular information, including 2D and 3D structures, as well as molecular property data, into tokens, which transforms classification and regression tasks in drug discovery into probabilistic prediction problems, thereby enabling learning through a unified paradigm. Token-Mol is built on the transformer decoder architecture and trained using random causal masking techniques. Additionally, we proposed the Gaussian cross-entropy (GCE) loss function to overcome the challenges in regression tasks, significantly enhancing the capacity of LLMs to learn continuous numerical values. Through a combination of fine-tuning and reinforcement learning (RL), Token-Mol achieves performance comparable to or surpassing existing task-specific methods across various downstream tasks, including pocket-based molecular generation, conformation generation, and molecular property prediction. Compared to existing molecular pre-trained models, Token-Mol exhibits superior proficiency in handling a wider range of downstream tasks essential for drug design. Notably, our approach improves regression task accuracy by approximately 30% compared to similar token-only methods. Token-Mol overcomes the precision limitations of token-only models and has the potential to integrate seamlessly with general models such as ChatGPT, paving the way for the development of a universal artificial intelligence drug design model that facilitates rapid and high-quality drug design by experts.

Yiyang Sun, Xiaonian Wang, Yangyang Zhang et al.

Driving scene understanding is to obtain comprehensive scene information through the sensor data and provide a basis for downstream tasks, which is indispensable for the safety of self-driving vehicles. Specific perception tasks, such as object detection and scene graph generation, are commonly used. However, the results of these tasks are only equivalent to the characterization of sampling from high-dimensional scene features, which are not sufficient to represent the scenario. In addition, the goal of perception tasks is inconsistent with human driving that just focuses on what may affect the ego-trajectory. Therefore, we propose an end-to-end Interpretable Implicit Driving Scene Understanding (II-DSU) model to extract implicit high-dimensional scene features as scene understanding results guided by a planning module and to validate the plausibility of scene understanding using auxiliary perception tasks for visualization. Experimental results on CARLA benchmarks show that our approach achieves the new state-of-the-art and is able to obtain scene features that embody richer scene information relevant to driving, enabling superior performance of the downstream planning.

Zhentian Zhang, Kai-Kit Wong, Hao Jiang et al.

Finite-aperture constraints render array design nontrivial and can undermine the effectiveness of classical sparse geometries. This letter provides universal guidance for fluid antenna array (FAA) design under a fixed aperture. We derive a closed-form Cramér--Rao bound (CRB) that unifies conventional and reconfigurable arrays by explicitly linking the Fisher information to the geometric variance of port locations. We further obtain a closed-form probability density function of the minimum spacing under random FAA placement, which yields a principled lower bound for the minimum-spacing constraint. Building upon these analytical insights, we then propose a gradient-based algorithm to optimize continuous port locations. Utilizing a simple gradient update design, the optimized FAA can achieve about a $30\%$ CRB reduction and a $42.5\%$ reduction in mean-squared error.

Wenxuan Ye, Yangyang Zhang, Xueli An et al.

Small language models (SLMs) offer computational efficiency for scalable deployment, yet they often fall short of the reasoning power exhibited by their larger counterparts (LLMs). To mitigate this gap, current approaches invoke an LLM to generate tokens at points of reasoning divergence, but these external calls introduce substantial latency and costs. Alternatively, standard distillation is often hindered by the capacity limitation, as SLMs struggle to accurately mimic the LLM's complex generative distribution. We address this dilemma by identifying local sufficiency: at divergence points, the LLM's preferred token consistently resides within the SLM's top-K next-token predictions, even when failing to emerge as the SLM top-1 choice. We therefore propose SELECT TO THINK (S2T), which reframes the LLM's role from open-ended generation to selection among the SLM's proposals, simplifying the supervision signal to discrete candidate rankings. Leveraging this, we introduce S2T-LOCAL, which distills the selection logic into the SLM, empowering it to perform autonomous re-ranking without inference-time LLM dependency. Empirically, we demonstrate that a 1.5B SLM's top-8 candidates capture the 32B LLM's choice with 95% hit rate. Translating this potential into performance, S2T-LOCAL improves greedy decoding by 24.1% on average across benchmarks, effectively matching the efficacy of 8-path self-consistency while operating with single-trajectory efficiency.

Jingyi Zhou, Haoyu Zhang, Jiakang Yuan et al.

As a fundamental vision task, stereo matching has made remarkable progress. While recent iterative optimization-based methods have achieved promising performance, their feature extraction capabilities still have room for improvement. Inspired by the ability of vision foundation models (VFMs) to extract general representations, in this work, we propose AIO-Stereo which can flexibly select and transfer knowledge from multiple heterogeneous VFMs to a single stereo matching model. To better reconcile features between heterogeneous VFMs and the stereo matching model and fully exploit prior knowledge from VFMs, we proposed a dual-level feature utilization mechanism that aligns heterogeneous features and transfers multi-level knowledge. Based on the mechanism, a dual-level selective knowledge transfer module is designed to selectively transfer knowledge and integrate the advantages of multiple VFMs. Experimental results show that AIO-Stereo achieves start-of-the-art performance on multiple datasets and ranks $1^{st}$ on the Middlebury dataset and outperforms all the published work on the ETH3D benchmark.