相关论文: FORGE: Fragment-Oriented Ranking and Generation fo…

A major challenge in the pharmaceutical industry is to design novel molecules with specific desired properties, especially when the property evaluation is costly. Here, we propose MNCE-RL, a graph convolutional policy network for molecular…

Recent advancements in morpheme segmentation primarily emphasize word-level segmentation, often neglecting the contextual relevance within the sentence. In this study, we redefine the morpheme segmentation task as a sequence-to-sequence…

LLMs have advanced text classification, yet existing paradigms face a trade-off: supervised (label only) fine-tuning is scalable but offers limited reasoning on complex text and lacks broader model transparency, while discrete prompt…

Medical image segmentation is undergoing a paradigm shift from conventional visual pattern matching to cognitive reasoning analysis. Although Multimodal Large Language Models (MLLMs) have shown promise in integrating linguistic and visual…

Scientific paper generation requires document-level planning and factual grounding, but current large language models, despite their strong local fluency, often fail in global structure, input coverage, and citation consistency. We present…

While Retrieval-Augmented Generation (RAG) has emerged as a promising paradigm for boosting large language models (LLMs) in knowledge-intensive tasks, it often overlooks the crucial aspect of text chunking within its workflow. This paper…

The proliferation of AI-powered search engines has shifted information discovery from traditional link-based retrieval to direct answer generation with selective source citation, creating new challenges for content visibility. While…

Key objectives in conditional molecular generation include ensuring chemical validity, aligning generated molecules with target properties, promoting structural diversity, and enabling efficient sampling for discovery. Recent advances in…

Foundation models such as Segment Anything Model 3 (SAM3) enable flexible text-guided medical image segmentation, yet their predictions remain highly sensitive to prompt formulation. Even semantically equivalent descriptions can yield…

We study sample-efficient molecular optimization under a limited budget of oracle evaluations. We propose MolLIBRA (MultimOdaLity and Language Integrated Bayesian and evolutionaRy optimizAtion), a genetic algorithm based framework that…

Multimodal retrieval systems struggle to resolve image-text queries against text-only corpora: the best vision-language encoder achieves only 27.6 nDCG@10 on MM-BRIGHT, underperforming strong text-only retrievers. We argue the bottleneck is…

Natural language context-such as instructions, knowledge, or feedback-contains rich signal for adapting language models. While in-context learning provides adaptation via the prompt, parametric learning persists into model weights and can…

Parameter-efficient fine-tuning (PEFT) methods have emerged as a practical solution for adapting large foundation models to downstream tasks, reducing computational and memory costs by updating only a small subset of parameters. Among them,…

Recently we proposed an algorithm for the fast reconstruction of compact context-specific metabolic networks (FASTCORE) that allowed dropping the reconstruction time to the time order of seconds (Vlassis et al.,2014). This extremely low…

Most state-of-the-art semantic segmentation approaches only achieve high accuracy in good conditions. In practically-common but less-discussed adverse environmental conditions, their performance can decrease enormously. Existing studies…

Retrieval-Augmented Generation (RAG) enables Large Language Models (LLMs) to extend their existing knowledge by dynamically incorporating external information. However, practical deployment is fundamentally constrained by the LLM's finite…

This paper describes a fast and accurate semantic image segmentation approach that encodes not only the discriminative features from deep neural networks, but also the high-order context compatibility among adjacent objects as well as low…

Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approaches either prioritize property scores without enforcing…

Retrieval-Augmented Generation (RAG) offers a cost-effective approach to injecting real-time knowledge into large language models (LLMs). Nevertheless, constructing and validating high-quality knowledge repositories require considerable…

Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolutionary algorithms often get trapped in local optima, while…