Multi-step retrosynthesis planning seeks to decompose a target molecule into commercially available building blocks through a sequence of feasible reactions. The vast combinatorial search space makes this task challenging even for expert chemists. Traditional methods combine tree search with offline-trained value networks that score candidates in isolation, without reasoning about complete multi-step routes. Recent work leverages Large Language Models (LLMs) for this task, but relies on simple interfaces that limit exploration of the full search space. We introduce RetroAgent, an LLM agent that bridges symbolic search and neural reasoning through a harness with structured memory. Through memory and chemistry tools, the agent observes the full search state, including explored routes, available alternatives, and properties of intermediates, enabling informed decisions grounded in both global progress and domain knowledge. Experiments on in-distribution and out-of-distribution benchmarks demonstrate that RetroAgent delivers strong performance and generalization.
Recurrent memory agents extend LLMs to arbitrarily long contexts by iteratively consolidating input into a fixed-size memory window. Despite their scalability, these agents exhibit a well-documented reliability problem: end-to-end performance degrades systematically as context le…
Recent unified multimodal models show a single architecture can jointly perform vision/language understanding and image generation/editing. However, they repeatedly feed all historical visual and textual inputs into a shared context window, limiting long-horizon multimodal dialog…
Large language model agents solve tasks by generating trajectories that interleave planning, tool calls, and intermediate results. Current evaluation metrics reduce such a trajectory to a binary success flag or compare it against a reference by exact matching. A success flag cann…
Recent advances in equipping Large Language Models (LLMs) with search tools and outcome-reward reinforcement learning (RL) have achieved new state-of-the-art results on open-domain QA tasks. However, we argue that current training paradigms harbor a critical vulnerability: they p…
For robots to work reliably in commercial and industrial applications, can recent advances in agentic coding systems combine interpretable robot programming with the open-world adaptability of model-free policies? We focus on "Variational Automation" (VA), a class of tasks that h…
Synthesis planning aiming to find pathways of reactions for a target molecule is one of the most important and challenging tasks in drug discovery. Recent progress has produced both specialized deep-learning retrosynthesis systems and general-purpose large language models, but ob…