Multi-step retrosynthesis planning is often considered solved once a route to purchasable starting materials is found, but such a route should also be practical in real-world chemistry. Recent LLM-based planners formulate this process as sequential decision-making over an AND-OR graph, yet typically expand a single mol...
Yejun Kim, Yongjun Jeong, Seongjun Yun et al.· 0 citations
The results support ChronoScribe's division of labor, in which the LLM handles interpretation, configuration, and communication while the TSFM handles numerical forecasting.
Yu-Chen Jiao, Miao Zhang, Yuxuan Liu et al.· 0 citations
Multi-agent debate has shown promise for improving the reasoning of large language models, yet recent theory suggests its benefits are highly regime-dependent. While interaction can amplify informative signals under corrective conditions, symmetric debate dynamics are neutral in expectation, often making majority votin...
Seungdong Yoa, Ye Seul Sim, Suhee Yoon et al.· 0 citations
Before changing a deployed AI agent (a stricter safety gate, a new model), organizations must approve the change, starting from existing logs. Extending classical risk analysis to partial records and partial changes to running systems, agent-risk replays logged episodes, assuming nothing else changes and the agent does...
Mamba-based super-resolution models are efficient alternatives to Transformer-based restoration backbones, but their low-bit post-training quantization remains challenging because selective scan, Mamba's input-dependent state-space operator, induces different activation ranges across spatial tokens. Thus, a single laye...
This paper proposes ONESHOT, which uses a single confirmed anomaly to weight the pool rather than to choose one detector from it, and shows that a single confirmed anomaly is enough to come close to the best detector for the series.
Seung-Han Lee, Jun Seo, Jaehoon Lee et al.· 0 citations
We propose the task of Interactive 4D Volumetric Liquid Forecasting: predicting the spatiotemporal evolution of a future dense 3D liquid velocity field conditioned on how a solid object moves through it. This task provides an upstream physical forecasting primitive for systems that need to reason about motion-condition...
Co-circulating influenza, COVID-19, and respiratory syncytial virus (RSV) create a shared hospital-admission burden, because beds, staff, testing capacity, and respiratory support are allocated to total demand rather than to one pathogen at a time. This makes respiratory forecasting a target-construction problem as wel...
Frontier models are now trained for complex multi-agent tasks, from running a company to engaging in negotiations. These tasks necessitate training models to be persuasive. But what does this optimization pressure mean for model alignment? In this work, we study how reinforcement learning (RL) training for persuasion a...
Boyi Wei, Ruta Desai, Peter Henderson et al.· 0 citations
Computational fluid dynamics (CFD) is computationally expensive for iterative building design. Deep learning surrogates offer faster predictions, but generalization across varying room dimensions remains challenging. This study compares two geometry-conditioned neural network surrogate models for rapid indoor airflow a...
Linear attention promises the efficiency needed for long-context language modelling, yet its fixed-size recurrent state must simultaneously support ongoing computation and preserve information from an ever-growing history. This coupling has reinforced a prevailing view that the state's memory capacity defines the model...
Li Nanbo, Firas Laakom, Yilan Zhang et al.· 0 citations
Large language models (LLMs) can produce harmful content while generating a response. A useful safeguard should not only detect this risk during generation but also intervene while leaving safe responses largely unchanged and provide an auditable record of the internal patterns supporting its decisions. We propose TRAC...
Ankur Garg, Xuemin Yu, Hassan Sajjad et al.· 0 citations
A machine-learning approach called CheMeleon provides a practical way to develop new drugs or other molecules with much less detailed, expensive experimentation.
Research Manager Mike Walker reflects on a career spanning hacker culture, cybersecurity, and AI, sharing lessons about trust, teamwork, leadership, and why solving difficult problems requires curiosity, judgment, agility—and an understanding of the rules. The post Learn the rules: The hacker mindset appeared first on Microsoft Research.
Learn how Google Antigravity and our Cheminformatics Skills accelerate drug discovery workflows, search compounds, and propose novel rigidified macrocycles.
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