Ruikang Zhang

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Other people with similar names: Ruikang Zhang


2026

Screen Tables and Substrate Scopes are information-dense figures widely used in synthetic chemistry literature, yet automated extraction of structured reaction data from them remains challenging. We introduce RxnExBench, a multimodal benchmark for fine-grained reaction-level evaluation. Built from high-impact chemistry journals, it contains 3,565 expert-annotated reactions and 2,361 canonical molecular structures. The dataset adopts a unified schema with 15 reaction roles and 26 core fields, supporting downstream AI-for-Chemistry tasks such as retrosynthetic planning, yield prediction, and reaction condition recommendation. RxnExBench further provides a reasoning-driven difficulty taxonomy, a modular annotation pipeline, and the Oracle-MolRec protocol, which disentangles molecular recognition from higher-level reasoning. Evaluation of 9 state-of-the-art VLMs shows that performance degrades substantially as schema complexity and reasoning demands increase. Under the Oracle-MolRec setting, results further reveal that accurate molecular recognition alone is insufficient, with multimodal integration and chemistry-aware reasoning remaining the primary bottlenecks. We release all data and code to facilitate future research in chemistry-aware multimodal understanding and AI-for-Chemistry dataset construction.
Diffusion Large Language Models (dLLMs) have emerged as an efficient alternative to autoregressive models, yet aligning them via Reinforcement Learning (RL) requires likelihood surrogates estimated from masked reconstruction subproblems under a small Monte Carlo budget per rollout. Existing methods construct these subproblems by uniform random masking, leaving open the question of which subproblems to prioritize. We identify a systematic upstream/downstream structure in dLLM rollouts. Some tokens, when revealed, trigger large confidence changes in nearby undecoded positions; we call them upstream. Others induce only small local changes and are therefore downstream. We find masking downstream tokens yields substantially better-posed subproblems than masking upstream tokens, a phenomenon we term subproblem difficulty asymmetry. Based on the observation, we propose Informed Masking (IM), which derives a per-token priority score from the denoising trajectory at zero extra inference cost and biases mask sampling toward downstream tokens. IM is plug-and-play: when plugged into three state-of-the-art dLLM RL methods on LLaDA-8B-Instruct, it delivers up to 2.01%, 8.68%, and 5.77% relative average gains on math and planning benchmarks with improved training stability.