Dan Rubenstein

Elizabeth G. Campolongo, Yuan-Tang Chou, Ekaterina Govorkova et al.

Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not conform to the norms are an indication that the rules of science governing the data are incomplete, and something new needs to be present to explain these unexpected outliers. The challenge of finding anomalies can be confounding since it requires codifying a complete knowledge of the known scientific behaviors and then projecting these known behaviors on the data to look for deviations. When utilizing machine learning, this presents a particular challenge since we require that the model not only understands scientific data perfectly but also recognizes when the data is inconsistent and out of the scope of its trained behavior. In this paper, we present three datasets aimed at developing machine learning-based anomaly detection for disparate scientific domains covering astrophysics, genomics, and polar science. We present the different datasets along with a scheme to make machine learning challenges around the three datasets findable, accessible, interoperable, and reusable (FAIR). Furthermore, we present an approach that generalizes to future machine learning challenges, enabling the possibility of large, more compute-intensive challenges that can ultimately lead to scientific discovery.

Nikos Pagonas, Matthew Lou, Tianyi Peng et al.

Agentic workflows interleave configurable LLM stages with tool stages and often include retries or refinement loops. Existing workflow managers profile full workflow configurations offline and assign each request a static workflow-level plan that binds each configurable LLM stage to a single model, reuses that model across repeated loop iterations, and does not revisit those choices at runtime. We present VineLM, a workflow manager that enables fine-grained control by choosing the model for each stage invocation as execution unfolds under request-level objectives such as maximizing accuracy under cost or latency budgets. VineLM represents feasible executions as an annotated trie of model-choice prefixes and uses checkpointing and cascade profiling to estimate path accuracy, cost, and latency without exhaustively profiling every request on every path. At runtime, VineLM re-roots the trie after each stage invocation and replans over the remaining subtrie using the realized execution prefix and remaining latency budget. On NL2SQL and math reasoning workflows, VineLM improves the cost-latency-accuracy frontier over coarse workflow-level baselines, achieving up to 18% higher accuracy at the same per-request budget with its sparse profiling reducing offline profiling cost by 98-99.8% when compared to exhaustive profiling.