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Scientific retrieval is essential for advancing scientific knowledge discovery. Within this process, document reranking plays a critical role in refining first-stage retrieval results. Recently, LLMs have become popular reranking backbones for their strong domain knowledge. However, standard LLM listwise reranking faces challenges in the scientific domain. First-stage retrieval is often suboptimal in the scientific domain, so relevant documents are ranked lower. Meanwhile, conventional listwise reranking places the full text of candidates into the context window, limiting the number of candidates that can be considered. As a result, many relevant documents are excluded before reranking, constraining overall retrieval performance. To address these challenges, we explore semantic-feature-based compact document representations (e.g., categories, sections, and keywords) and propose CoRank, a training-free, model-agnostic reranking framework for scientific retrieval. It presents a three-stage solution: (i) offline extraction of document features, (ii) coarse-grained reranking using these compact representations, and (iii) fine-grained reranking on full texts of the top candidates from (ii). This integrated process addresses suboptimal first-stage retrieval: Compact representations allow more documents to fit within the context window, improving candidate set coverage, while the final fine-grained ranking ensures a more accurate ordering. Experiments on 5 academic retrieval datasets show that CoRank significantly improves reranking performance across different LLM backbones (average nDCG@10 from 50.6 to 55.5). 

Prevailing methods for training Large Language Models (LLMs) as text encoders rely on contrastive losses that treat the model as a black box function, discarding its generative and reasoning capabilities in favor of static embeddings. We introduce GRACE (Generative Representation Learning via Contrastive Policy Optimization), a novel framework that reimagines contrastive signals not as losses to be minimized, but as rewards that guide a generative policy. In GRACE, the LLM acts as a policy that produces explicit, human-interpretable rationales--structured natural language explanations of its semantic understanding. These rationales are then encoded into high-quality embeddings via mean pooling. Using policy gradient optimization, we train the model with a multi-component reward function that maximizes similarity between query positive pairs and minimizes similarity with negatives. This transforms the LLM from an opaque encoder into an interpretable agent whose reasoning process is transparent and inspectable. On MTEB benchmark, GRACE yields broad cross category gains: averaged over four backbones, the supervised setting improves overall score by 11.5% over base models, and the unsupervised variant adds 6.9%, while preserving general capabilities. This work treats contrastive objectives as rewards over rationales, unifying representation learning with generation to produce stronger embeddings and transparent rationales. The model, data and code are available at https://github.com/GasolSun36/GRACE. 

Accurate weather forecasting is critical for science and society. However, existing methods have not achieved the combination of high accuracy, low uncertainty, and high computational efficiency simultaneously. On one hand, traditional numerical weather prediction (NWP) models are computationally intensive because of their complexity. On the other hand, most machine learning-based weather prediction (MLWP) approaches offer efficiency and accuracy but remain deterministic, lacking the ability to capture forecast uncertainty. To tackle these challenges, we propose a conditional diffusion model, CoDiCast, to generate global weather prediction, integrating accuracy and uncertainty quantification at a modest computational cost. The key idea behind the prediction task is to generate realistic weather scenarios at a future time point, conditioned on observations from the recent past. Due to the probabilistic nature of diffusion models, they can be properly applied to capture the uncertainty of weather predictions. Therefore, we accomplish uncertainty quantifications by repeatedly sampling from stochastic Gaussian noise for each initial weather state and running the denoising process multiple times. Experimental results demonstrate that CoDiCast outperforms several existing MLWP methods in accuracy, and is faster than NWP models in inference speed. Our model can generate 6-day global weather forecasts, at 6-hour steps and 5.625-degree latitude-longitude resolutions, for over 5 variables, in about 12 minutes on a commodity A100 GPU machine with 80GB memory. The source code is available at https://github.com/JimengShi/CoDiCast. 

Retrieval-augmented generation (RAG) has emerged as a powerful framework for enhancing large language models (LLMs) with external knowledge, particularly in scientific domains that demand specialized and dynamic information. Despite its promise, the application of RAG in the chemistry domain remains underexplored, primarily due to the lack of high-quality, domain-specific corpora and well-curated evaluation benchmarks. In this work, we introduce ChemRAG-Bench, a comprehensive benchmark designed to systematically assess the effectiveness of RAG across a diverse set of chemistry-related tasks. The accompanying chemistry corpus integrates heterogeneous knowledge sources, including scientific literature, the PubChem database, PubMed abstracts, textbooks, and Wikipedia entries. In addition, we present ChemRAG-Toolkit, a modular and extensible RAG toolkit that supports five retrieval algorithms and eight LLMs. Using ChemRAG-Toolkit, we demonstrate that RAG yields a substantial performance gain—achieving an average relative improvement of 17.4% over direct inference methods. We further conduct in-depth analyses on retriever architectures, corpus selection, and the number of retrieved passages, culminating in practical recommendations to guide future research and deployment of RAG systems in the chemistry domain.