Furong Huang
Publications
SciPredict: Can LLMs Predict the Outcomes of Scientific Experiments in Natural Sciences?
Accelerating scientific discovery requires the identification of which experiments would yield the best outcomes before committing resources to costly physical validation. While existing benchmarks evaluate LLMs on scientific knowledge and reasoning, their ability to predict experimental outcomes - a task where AI could significantly exceed human capabilities - remains largely underexplored. We introduce SciPredict, a benchmark comprising 405 tasks derived from recent empirical studies in 33 specialized sub-fields of physics, biology, and chemistry. SciPredict addresses two critical questions: (a) can LLMs predict the outcome of scientific experiments with sufficient accuracy? and (b) can such predictions be reliably used in the scientific research process? Evaluations reveal fundamental limitations on both fronts. Model accuracies are 14-26% and human expert performance is $\approx$20%. Although some frontier models exceed human performance model accuracy is still far below what would enable reliable experimental guidance. Even within the limited performance, models fail to distinguish reliable predictions from unreliable ones, achieving only $\approx$20% accuracy regardless of their confidence or whether they judge outcomes as predictable without physical experimentation. Human experts, in contrast, demonstrate strong calibration: their accuracy increases from $\approx$5% to $\approx$80% as they deem outcomes more predictable without conducting the experiment. SciPredict establishes a rigorous framework demonstrating that superhuman performance in experimental science requires not just better predictions, but better awareness of prediction reliability. For reproducibility all our data and code are provided at https://github.com/scaleapi/scipredict
Agentic Critical Training
Training large language models (LLMs) as autonomous agents often begins with imitation learning, but it only teaches agents what to do without understanding why: agents never contrast successful actions against suboptimal alternatives and thus lack awareness of action quality. Recent approaches attempt to address this by introducing self-reflection supervision derived from contrasts between expert and alternative actions. However, the training paradigm fundamentally remains imitation learning: the model imitates pre-constructed reflection text rather than learning to reason autonomously. We propose Agentic Critical Training (ACT), a reinforcement learning paradigm that trains agents to identify the better action among alternatives. By rewarding whether the model's judgment is correct, ACT drives the model to autonomously develop reasoning about action quality, producing genuine self-reflection rather than imitating it. Across three challenging agent benchmarks, ACT consistently improves agent performance when combined with different post-training methods. It achieves an average improvement of 5.07 points over imitation learning and 4.62 points over reinforcement learning. Compared to approaches that inject reflection capability through knowledge distillation, ACT also demonstrates clear advantages, yielding an average improvement of 2.42 points. Moreover, ACT enables strong out-of-distribution generalization on agentic benchmarks and improves performance on general reasoning benchmarks without any reasoning-specific training data, highlighting the value of our method. These results suggest that ACT is a promising path toward developing more reflective and capable LLM agents.