Learning the PTM code through a coarse-to-fine mechanism-aware framework
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Zatom-1: Towards a Multimodal Foundation Model for 3D Molecules and Materials
arXiv:2602.22251v4 Announce Type: replace-cross Abstract: General-purpose 3D modeling in chemistry encompasses molecules and materials, requiring both generative and predictive capabilities.…
AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents
arXiv:2605.06607v3 Announce Type: replace-cross Abstract: Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning…
On the Sample Complexity of Differentially Private Policy Optimization
arXiv:2510.21060v3 Announce Type: replace-cross Abstract: Policy optimization (PO) is a cornerstone of modern reinforcement learning (RL), with diverse applications spanning…
From Baselines to Transport Geodesics: Axiomatic Attribution via Optimal Generative Flows
arXiv:2603.05093v2 Announce Type: replace-cross Abstract: Feature attributions often hide a critical modeling choice: they explain a prediction along a counterfactual…
PATRA: Pattern-Aware Alignment and Balanced Reasoning for Time Series Question Answering
arXiv:2602.23161v3 Announce Type: replace Abstract: Time series reasoning demands both the perception of complex dynamics and logical depth. However, existing…
Gradient-Free Noise Optimization for Reward Alignment in Generative Models
arXiv:2605.11347v2 Announce Type: replace-cross Abstract: Existing reward alignment methods for diffusion and flow models rely on multi-step stochastic trajectories, making…
Towards a holistic understanding of Selection Bias for Causal Effect Identification
arXiv:2605.13430v1 Announce Type: cross Abstract: Selection bias is pervasive in observational studies. For example, large scale biobanks data can exhibit…