LLM Agent Swarm for Hypothesis-Driven Drug Discovery

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and transcriptomics to chemical libraries and clinical records, hinder coherent mechanistic insight and slow progress. Meanwhile, large language models excel at reasoning and tool integration but lack the modular specialization and iterative memory required for regulated, hypothesis-driven workflows. We introduce PharmaSwarm, a unified multi-agent framework that orchestrates specialized LLM "agents" to propose, validate, and refine hypotheses for novel drug targets and lead compounds. Each agent accesses dedicated functionality--automated genomic and expression analysis; a curated biomedical knowledge graph; pathway enrichment and network simulation; interpretable binding affinity prediction--while a central Evaluator LLM continuously ranks proposals by biological plausibility, novelty, in silico efficacy, and safety. A shared memory layer captures validated insights and fine-tunes underlying submodels over time, yielding a self-improving system. Deployable on low-code platforms or Kubernetes-based microservices, PharmaSwarm supports literature-driven discovery, omics-guided target identification, and market-informed repurposing. We also describe a rigorous four-tier validation pipeline spanning retrospective benchmarking, independent computational assays, experimental testing, and expert user studies to ensure transparency, reproducibility, and real-world impact. By acting as an AI copilot, PharmaSwarm can accelerate translational research and deliver high-confidence hypotheses more efficiently than traditional pipelines.

Seesaw: High-throughput LLM Inference via Model Re-sharding

To improve the efficiency of distributed large language model (LLM) inference, various parallelization strategies, such as tensor and pipeline parallelism, have been proposed. However, the distinct computational characteristics inherent in the two stages of LLM inference-prefilling and decoding-render a single static parallelization strategy insufficient for the effective optimization of both stages. In this work, we present Seesaw, an LLM inference engine optimized for throughput-oriented tasks. The key idea behind Seesaw is dynamic model re-sharding, a technique that facilitates the dynamic reconfiguration of parallelization strategies across stages, thereby maximizing throughput at both phases. To mitigate re-sharding overhead and optimize computational efficiency, we employ tiered KV cache buffering and transition-minimizing scheduling. These approaches work synergistically to reduce the overhead caused by frequent stage transitions while ensuring maximum batching efficiency. Our evaluation demonstrates that Seesaw achieves a throughput increase of up to 1.78x (1.36x on average) compared to vLLM, the most widely used state-of-the-art LLM inference engine.