ToolGrad: Efficient tool-use dataset generation with textual "gradients"
Machine Intelligence
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Computational and AI-Driven Ecosystem for Structure-Based Covalent Drug Discovery.
This Account describes a computational and AI-driven ecosystem for structure-based covalent drug discovery and dives into a suite of cutting-edge, AI-driven computational methods, exploring the potential of deep learning in tasks such as molecular docking, covalent binding site prediction, and lead optimization.
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...
AI-Powered Anomaly Detection in Cloud-Based Applications
The findings suggest that AI-powered anomaly detection significantly strengthens observability and security in cloud-based applications, enabling proactive threat mitigation and operational optimization in increasingly complex distributed environments.
ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction
This work introduces an advanced equivariant graph attention neural network specifically engineered to model long-range atomic electrostatic interactions with high precision, and improves the model's accuracy, generalization, and robustness in complex scenarios.