Agentic workflows enable large language models (LLMs) to solve complex tasks by coordinating reasoning, tool use, and verification. However, a workflow optimized for an entire task collection can overlook differences in the reasoning strategies that individual queries need, while searching for a new workflow for every query repeats costly optimization. To address this tradeoff, we introduce RA-MoWE, a framework that uses workflow-affinity embeddings to cluster queries and guide the generation of reusable expert workflows. Each embedding records how well a fixed set of reference workflows solves a query, revealing similarities in which reasoning strategies are effective. RA-MoWE uses each cluster's queries and average embedding to initialize and refine a specialized workflow through execution feedback. An embedding encoder predicts these embeddings from query text, allowing new queries to select a generated expert without first executing the reference workflows. On a 300-query test set drawn from four benchmarks spanning mathematics, science, and programming, RA-MoWE improves average task score by 4.04 percentage points over selecting among the reference workflows, while using 27.7% fewer language-model calls at inference.
Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.
We study the generation of agentic workflows that jointly optimize multiple objectives, such as accuracy, cost, latency, robustness, and consistency. Existing methods for workflow generation typically optimize accuracy alone or a weighted sum of objectives, so each trained generator commits to one fixed trade-off and must be retrained from scratch when preferences change. To alleviate this, we propose MoFlow, which generates workflows optimized across varied preferences. Specifically, MoFlow formulates workflow generation as a multi-objective Markov decision process and solves it by leveraging Convex-Hull Monte Carlo Tree Search with optimistic set-valued backups, where every node stores a set of reachable trade-offs rather than one weighted score. A single search thus approximately covers the Pareto front, from which MoFlow can return a workflow for any preference by lookup without retraining. We evaluate MoFlow against six strong baselines on six benchmarks spanning mathematics, code, and question answering. Since the baselines are single-scalar optimizers by design, an apples-to-apples comparison is difficult. We instead adopt an evaluation setup that favors the baselines, in that they are rerun for each testing preference, which MoFlow never sees. Even under this stringent setup, MoFlow achieves the highest average hypervolume.
Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a task requiring both domain knowledge and infrastructure expertise. We propose an agentic architecture that closes this gap through three layers: an LLM interprets natural language into structured intents (semantic layer); validated generators produce reproducible workflow DAGs (deterministic layer); and domain experts author ``Skills'': markdown documents encoding vocabulary mappings, parameter constraints, and optimization strategies (knowledge layer). This decomposition confines LLM non-determinism to intent extraction: identical intents always yield identical workflows. We implement and evaluate the architecture on the 1000 Genomes population genetics workflow and Hyperflow WMS running on Kubernetes. In an ablation study on 150 queries, Skills raise full-match intent accuracy from 44% to 83%; skill-driven deferred workflow generation reduces data transfer by 92%; and the end-to-end pipeline completes queries on Kubernetes with LLM overhead below 15 seconds and cost under $0.001 per query.
Bartosz Balis, Michal Orzechowski, Piotr Kica +2
AGH University of Krakow, Krakow, Poland · Sano Centre for Computational Medicine, Krakow, Poland