Dong Xu

Jiacheng Xie, Shuai Zeng, Yang Yu et al.

Traditional Chinese Medicine (TCM) presents a rich and structurally unique knowledge system that challenges conventional applications of large language models (LLMs). Although previous TCM-specific LLMs have shown progress through supervised fine-tuning, they often face limitations in alignment, data quality, and evaluation consistency. In this study, we introduce Ladder-base, the first TCM-focused LLM trained with Group Relative Policy Optimization (GRPO), a reinforcement learning method that improves reasoning and factual consistency by optimizing response selection based on intra-group comparisons. Ladder-base is built upon the Qwen2.5-7B-Instruct foundation model and trained exclusively on the textual subset of the TCM-Ladder benchmark, using 80 percent of the data for training and the remaining 20 percent split evenly between validation and test sets. Through standardized evaluation, Ladder-base demonstrates superior performance across multiple reasoning metrics when compared to both state-of-the-art general-purpose LLMs such as GPT-4, Gemini 2.5, Claude 3, and Qwen3 and domain-specific TCM models including BenTsao, HuatuoGPT2, and Zhongjing. These findings suggest that GRPO provides an effective and efficient strategy for aligning LLMs with expert-level reasoning in traditional medical domains and supports the development of trustworthy and clinically grounded TCM artificial intelligence systems.

Dong Xu, Zhangfan Yang, Ka-chun Wong et al.

Breakthroughs in high-accuracy protein structure prediction, such as AlphaFold, have established receptor-based molecule design as a critical driver for rapid early-phase drug discovery. However, most approaches still struggle to balance pocket-specific geometric fit with strict valence and synthetic constraints. To resolve this trade-off, a Retrieval-Enhanced Aligned Diffusion termed READ is introduced, which is the first to merge molecular Retrieval-Augmented Generation with an SE(3)-equivariant diffusion model. Specifically, a contrastively pre-trained encoder aligns atom-level representations during training, then retrieves graph embeddings of pocket-matched scaffolds to guide each reverse-diffusion step at inference. This single mechanism can inject real-world chemical priors exactly where needed, producing valid, diverse, and shape-complementary ligands. Experimental results demonstrate that READ can achieve very competitive performance in CBGBench, surpassing state-of-the-art generative models and even native ligands. That suggests retrieval and diffusion can be co-optimized for faster, more reliable structure-based drug design.

Wenrui Bao, Zhiben Chen, Dan Xu et al.

Autoregressive decoding in large language models (LLMs) requires $\mathcal{O}(n)$ sequential steps for $n$ tokens, fundamentally limiting inference throughput. Recent diffusion-based LLMs (dLLMs) enable parallel token generation through iterative denoising. However, current parallel decoding strategies rely on fixed, input-agnostic heuristics (e.g., confidence thresholds), which fail to adapt to input-specific characteristics, resulting in suboptimal speed-quality trade-offs across diverse NLP tasks. In this work, we explore a more flexible and dynamic approach to parallel decoding. We propose Learning to Parallel Decode (Learn2PD), a framework that trains a lightweight and adaptive filter model to predict, for each token position, whether the current prediction matches the final output. This learned filter approximates an oracle parallel decoding strategy that unmasks tokens only when correctly predicted. Importantly, the filter model is learned in a post-training manner, requiring only a small amount of computation to optimize it (minute-level GPU time). Additionally, we introduce End-of-Text Prediction (EoTP) to detect decoding completion at the end of sequence, avoiding redundant decoding of padding tokens. Experiments on the LLaDA benchmark demonstrate that our method achieves up to 22.58$\times$ speedup without any performance drop, and up to 57.51$\times$ when combined with KV-Cache.

Siyuan Li, Juanxi Tian, Zedong Wang et al.

Training large language models (LLMs) poses challenges due to their massive scale and heterogeneous architectures. While adaptive optimizers like AdamW help address gradient variations, they still struggle with efficient and effective parameter-wise learning rate estimation, resulting in training instability, slow convergence, and poor compatibility with parameter-efficient fine-tuning (PEFT) techniques. This work introduces Scaling with Gradient Grouping (SGG), an optimizer wrapper that improves adaptive learning rate estimation by dynamic grouping and group-specific scaling. SGG first groups gradient statistics in each layer into clusters and then applies cluster-specific scaling to calibrate learning rates for each parameter, thus imposing collective group-wise constraints while maintaining precise per-parameter adaptation. Experiments on diverse (M)LLM benchmarks show that SGG integrates seamlessly with existing optimizers, and offers consistent gains and faster convergence over baselines, with various model sizes. Its stability across varying batch sizes and learning rates establishes SGG as a robust choice for LLM optimization.