large language models

Unified heterogeneity-aware benchmark of drug synergy prediction: a cross-study analysis of traditional machine learning and graph deep learning models.

The first comprehensive benchmarking framework specifically designed to accommodate inter-dataset heterogeneity is presented, finding that well-designed small datasets can match or even surpass the performance of larger benchmarks, suggesting that different metrics are applicable to different datasets/testing scenarios...

Navigating committor landscape of biomolecules with a general pairwise interaction model

A novel committor learning framework grounded in the AlphaFold 3 paradigm is proposed that elucidates how ligand substituents regulate the ratio between distinct binding pathways, offering new perspectives for structure-based drug design.

Detecting Clinical Hallucinations in LVLMs via Counterfactual Visual Grounding Uncertainty

A vision-traceable hallucination detection framework that audits arbitrary LVLM responses via visual evidence grounding, requiring neither modification nor internal access to the hidden states of LVLMs, while providing interpretable localization evidence and strong cross-model transferability.

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

The Comprehensive VS Platform with AI Engine (CVSP-AIE) for drug discovery from compound libraries integrates three AI models: KarmaDock, a fast docking model that directly updates atomic coordinates; CarsiDock, an accurate docking model that predicts protein-ligand distances and reconstructs binding poses; and RTMScor...

Empowering Large Language Models for Relational Data Cleaning and Integration

Do people apply different norms to humans and large language models acting on their behalf? Evidence from norm elicitations in two canonical economic games

Decoding hate: The rise of transformer and large language model architectures in automated hate speech detection

A comparative review of modern large language model paradigms: GPT-4, BERT, Gemini, and DeepSeek

Comparison of GPT-4, BERT (bidirectional encoder representations from transformers), Gemini, and DeepSeek large language models (LLM), focusing on architectures, training methodologies, and real-world applications reveals GPT-4 excels in natural language generation and complex reasoning, supporting up to 128K tokens wi...

An Explicit Interaction-Prompted Diffusion Framework for High-Fidelity 3D Molecular Generation.

Current structure-based drug design generative models often struggle to faithfully recapitulate genuine ligand-protein binding interactions. Instead, under the coupling of implicit learning architectures and biased training data, they tend to learn spurious statistical correlations. To address this, we propose EIP-Diff...

ClauseMiner: Prompt-engineered large language model for accurate, scalable legal clause extraction

Caduceus: MoE Foundation Models for Unifying Biological and Natural Language

This paper introduces Caduceus, a family of MoE-enhanced foundation models built with a hierarchical pre-training paradigm to jointly integrate biological and natural language, and incorporates a multi-task instruction tuning phase, enabling robust protein parsing and natural language question answering.

Constitutional Midtraining: Content Presence Drives Alignment Gains

Post-training alignment is often shallow, eroding under fine-tuning. It remains untested as to whether constitutional midtraining interventions can produce durable alignment when cleanly isolated from post-training. We build a 394M-token constitutional corpus from Anthropic's Constitution and apply constitutional midtr...