Explore or Confirm? LLM Agents Misallocate Measurements Under Noise

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   Résumé scientifique

   We present evidence of substantial benefit from efficient exploration in gathering human feedback to improve large language models. In our experiments, an agent sequentially generates queries while fitting a reward model to the feedback received. Our best-performing agent generates queries using double Thompson sampling, with uncertainty represented by an epistemic neural network. Our results demonstrate that efficient exploration enables high levels of performance with far fewer queries. Further, both uncertainty estimation and the choice of exploration scheme play critical roles.

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   Agentic AI-for-Science can automate ideation, planning, and analysis, but final validation still depends on real experiments. A self-driving lab (SDL) can execute those experiments, yet the loop still has bottlenecks: the agent may spend too many rounds on low-value experiments, or each round may require a high-cost experiment. We target these two physical bottlenecks with one agent. First, a prior-aware agentic DOE loop uses domain knowledge and past results to propose feasible and informative next experiments, reducing trials-to-target. Second, a cost-aware surrogate agent predicts high-cost, high-resolution measurements from low-cost, low-resolution measurements. It chooses between a high…

3. Proche Pas pertinent

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   Language models are aligned to avoid using protected attributes such as race, ethnicity, and gender to inform their responses. Therefore, they increasingly refuse or hedge when such attributes appear in a prompt. However, if a system must decide how much to learn from what people tell it, it is costly to refuse valuable information because of its source. In this article, we measure the cost of declining information in a two-urn game with an exact Bayesian answer. We present leading LLM models from two developers (OpenAI and Anthropic) with a prompt that requires them to decide how far to trust an unverifiable report from a participant whose description we randomize across ten configurations …

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   Résumé scientifique

   LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new algorithms on open-ended problems by iteratively running the following steps: (1) propose new ideas (2) program to verify (3) optimize the research proposals. To synergize the feasibility and innovation of the discovery process, we construct a novel dual environment by combining the execution-based verifiable reward and reward from simulated real-world peer review environment in AlphaResearch. We construct \textbf{\dataset}, a set of questions that includes an e…

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   Résumé scientifique

   In this paper, we introduce a novel learning paradigm for adaptive Large Language Model (LLM) agents that eliminates the need for fine-tuning the underlying LLMs. Existing approaches are often either rigid, relying on static, handcrafted reflection workflows, or computationally intensive, requiring gradient updates of LLM model parameters. In contrast, our method enables low-cost continual adaptation via memory-based online reinforcement learning. We formalise this as a Memory-augmented Markov Decision Process (M-MDP), equipped with a neural case-selection policy to guide action decisions. Past experiences are stored in an episodic memory, either differentiable or non-parametric. The policy …

6. Proche Cité par cet article Pas pertinent

   Can AI Scientist Agents Learn from Lab-in-the-Loop Feedback? Evidence from Iterative Perturbation Discovery

   G. Wainrib, B. Bodinier, Haitem Dakhli et al. · 2026 · arXiv.org · Pas encore résumé

   Résumé scientifique

   Recent work has questioned whether large language models (LLMs) can perform genuine in-context learning (ICL) for scientific experimental design, with prior studies suggesting that LLM-based agents exhibit no sensitivity to experimental feedback. We shed new light on this question by carrying out 800 independently replicated experiments on iterative perturbation discovery in Cell Painting high-content screening. We compare an LLM agent that iteratively updates its hypotheses using experimental feedback to a zero-shot baseline that relies solely on pretraining knowledge retrieval. Access to feedback yields a $+53.4\%$ increase in discoveries per feature on average ($p = 0.003$). To test wheth…

7. Proche Pas pertinent

   More Agents Is All You Need

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   Résumé scientifique

   We find that, simply via a sampling-and-voting method, the performance of large language models (LLMs) scales with the number of agents instantiated. Also, this method is orthogonal to existing complicated methods to further enhance LLMs, while the degree of enhancement is correlated to the task difficulty. We conduct comprehensive experiments on a wide range of LLM benchmarks to verify the presence of our finding, and to study the properties that can facilitate its occurrence. Our code is publicly available at: \url{https://anonymous.4open.science/r/more_agent_is_all_you_need}.

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   Résumé scientifique

   Reliable hypothesis testing is the foundation of many empirical scientific claims. Large language model (LLM) agents are increasingly used to automate this process, as they can inspect datasets, generate code, and produce analyses end-to-end. However, we show that they frequently make subtle inferential errors that lead to incorrect conclusions despite correctly executed analyses. Existing benchmarks fail to capture this failure mode, as they rarely assess whether a reported p-value is statistically valid given the assumptions underlying the data. We address this gap by building P-Bench, a benchmark comprising 425 open-ended, realistic hypothesis-testing tasks spanning economics, biology, an…

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   Large language models (LLMs) have recently been proposed as general-purpose agents for experimental design, with claims that they can perform in-context experimental design. We evaluate this hypothesis using both open- and closed-source instruction-tuned LLMs applied to genetic perturbation and molecular property discovery tasks. We find that LLM-based agents show no sensitivity to experimental feedback: replacing true outcomes with randomly permuted labels has no impact on performance. Across benchmarks, classical methods such as linear bandits and Gaussian process optimization consistently outperform LLM agents. We further propose a simple hybrid method, LLM-guided Nearest Neighbour (LLMNN…

3. Proche Pas pertinent

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   Résumé scientifique

   As LLMs evolve from code completion systems into autonomous scientific agents, evaluating their ability to conduct experiments has become increasingly important. Existing benchmarks typically focus on static code generation, paper replication, or final answer correctness, but do not directly assess whether agents can interpret experimental evidence and use it to guide subsequent hyperparameter decisions. To address this gap, we introduce AgentHPOBench, a sequential benchmark comprising 30 executable machine learning tasks across seven research categories. Each task begins with a validated baseline run, after which an agent performs several sequential interventions. At each step, the agent ob…

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   Résumé scientifique

   Large language models (LLMs) are increasingly deployed as agents for scientific discovery, but standardized frameworks for evaluating their performance and behavior in scientific workflows are lacking. Protein design provides a demanding test case because modern workflows combine stochastic generative models, structure prediction systems, and physics-based evaluation tools that require extensive candidate exploration and filtering. Here we introduce BioDesignBench, a benchmark of 76 expert-curated protein design tasks spanning antibodies, enzymes, fluorescent proteins, binders, and scaffolds, together with human and non-LLM baselines and behavioral metrics derived from tool-use traces. We ev…

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   Agents based on large language models have shown great potential in accelerating scientific discovery by leveraging their rich background knowledge and reasoning capabilities. In this paper, we introduce BioDiscoveryAgent, an agent that designs new experiments, reasons about their outcomes, and efficiently navigates the hypothesis space to reach desired solutions. We demonstrate our agent on the problem of designing genetic perturbation experiments, where the aim is to find a small subset out of many possible genes that, when perturbed, result in a specific phenotype (e.g., cell growth). Utilizing its biological knowledge, BioDiscoveryAgent can uniquely design new experiments without the nee…