Abstract:We introduce FUSION, a family of multimodal large language models (MLLMs) with a fully vision-language alignment and integration paradigm. Unlike existing methods that primarily rely on late-stage modality interaction during LLM decoding, our approach achieves deep, dynamic integration throughout the entire processing pipeline. To this end, we propose Text-Guided Unified Vision Encoding, incorporating textual information in vision encoding to achieve pixel-level integration. We further design Context-Aware Recursive Alignment Decoding that recursively aggregates visual features conditioned on textual context during decoding, enabling fine-grained, question-level semantic integration. To guide feature mapping and mitigate modality discrepancies, we develop Dual-Supervised Semantic Mapping Loss. Additionally, we construct a Synthesized Language-Driven Question-Answer (QA) dataset through a new data synthesis method, prioritizing high-quality QA pairs to optimize text-guided feature integration. Building on these foundations, we train FUSION at two scales-3B, 8B-and demonstrate that our full-modality integration approach significantly outperforms existing methods with only 630 vision tokens. Notably, FUSION 3B surpasses Cambrian-1 8B and Florence-VL 8B on most benchmarks. FUSION 3B continues to outperform Cambrian-1 8B even when limited to 300 vision tokens. Our ablation studies show that FUSION outperforms LLaVA-NeXT on over half of the benchmarks under same configuration without dynamic resolution, highlighting the effectiveness of our approach. We release our code, model weights, and dataset. https://github.com/starriver030515/FUSION
Abstract:The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest version of ASKCOS, an open source software suite for synthesis planning that makes available several research advances in a freely available, practical tool. Four one-step retrosynthesis models form the basis of both interactive planning and automatic planning modes. Retrosynthetic planning is complemented by other modules for feasibility assessment and pathway evaluation, including reaction condition recommendation, reaction outcome prediction, and auxiliary capabilities such as solubility prediction and quantum mechanical descriptor prediction. ASKCOS has assisted hundreds of medicinal, synthetic, and process chemists in their day-to-day tasks, complementing expert decision making. It is our belief that CASP tools like ASKCOS are an important part of modern chemistry research, and that they offer ever-increasing utility and accessibility.