UniPCB: A Unified Vision-Language Benchmark for Open-Ended PCB Quality Inspection

Multimodal Large Language Models (MLLMs) show promise for general industrial quality inspection, but fall short in complex scenarios, such as Printed Circuit Board (PCB) inspection. PCB inspection poses unique challenges due to densely packed components, complex wiring structures, and subtle defect patterns that require specialized domain expertise. However, a high-quality, unified vision-language benchmark for quantitatively evaluating MLLMs across PCB inspection tasks remains absent, stemming not only from limited data availability but also from fragmented datasets and inconsistent standardization. To fill this gap, we propose UniPCB, the first unified vision-language benchmark for open-ended PCB quality inspection. UniPCB is built via a systematic pipeline that curates and standardizes data from disparate sources across three annotated scenarios. Furthermore, we introduce PCB-GPT, an MLLM trained on a new instruction dataset generated by this pipeline, utilizing a novel progressive curriculum that mimics the learning process of human experts. Evaluations on the UniPCB benchmark show that while existing MLLMs falter on domain-specific tasks, PCB-GPT establishes a new baseline. Notably, it more than doubles the performance on fine-grained defect localization compared to the strongest competitors, with significant advantages in localization and analysis. We will release the instruction data, benchmark, and model to facilitate future research.

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.