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arXiv AI Papers

DiscoveryRSI: Recursively Learning to Discover Valuable Hypotheses

Scientific discovery requires developing worthwhile hypotheses into practical investigations, yet learning from this evolving research process remains challenging. We introduce an operational definition of valuable and testable research hypotheses: evidence-grounded claims about consequential uncertainties, coupled with feasible investigations, explicit decision criteria, and alternative explanations. Our DiscoveryRSI framework develops hypothesis trees through multi-agent evolutionary search, compiles selected investigations into executable Harbor tasks, and recursively learns through three mechanisms: hypothesis credit optimization attributes scientific assessments to documented research contributions; harness replay identifies productive strategies and recurring failures to refine research workflows; and rediscovery applies accepted improvements to new investigations, generating further experience for subsequent learning. We also introduce DFM-Bench, which provides comprehensive assessment of hypothesis quality and cumulative research progress at the levels of hypotheses, revisions, development paths and research runs. Across four life-science domains, automated evaluation shows that hypothesis quality rises from 4.86 for the base model to 5.39 after two rounds of self-improvement, with the large gains in falsifiability and data resolvability. We further validate hypothesis quality through expert review, comparing our DiscoveryRSI-27B with other research agents. Preliminary human assessments show that DiscoveryRSI-27B scores higher than GPT-6 Luna on hypothesis importance and whether claims are plausible and evidence-bounded. DiscoveryRSI-27B achieved a 6.3% rate of hypothesis correspondence with research published after the model cutoff, largely outperform GPT-6 with 2.5% and Claude Opus 5 with 2.3%, while delivering greater human-rated improvement along research paths.

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arXiv AI Papers

Self-Building Labs

Self-driving laboratories (SDLs) accelerate scientific discovery by automating experimental execution and optimization. AI agents can increasingly propose new experiments, but existing SDLs can only run the procedures they were built for. Adapting them to a new experiment still takes extensive manual engineering, which makes laboratory flexibility the bottleneck for scaling discovery. We introduce the self-building laboratory (SBL), which designs, configures, and operates its own laboratory setup given a high-level scientific goal. SBL starts from whatever already exists, from an empty room to a working SDL, and builds the missing capabilities: the lab layout, its digital twin, robot skills, and experimental workflows. We demonstrate the system working across different robots and setups, scaling from a single workstation to laboratories with several robots working together. We validate SBL's end-to-end capabilities through a real-world quantum-dot synthesis experiment. By shifting the role of human researchers from manually configuring and programming device automation to specifying scientific objectives, SBL makes scientific automation more accessible, flexible, and scalable. Project website: https://self-building-labs.github.io/

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arXiv AI Papers

CocoRNA: Collective RNA Design with Cooperative Multi-agent Reinforcement Learning

Designing RNA sequences that reliably fold into specific secondary structures is essential for understanding their biological functions but remains a challenging computational problem. We propose CocoRNA, a cooperative multi-agent reinforcement learning framework for RNA inverse design. CocoRNA simplifies the design task by decomposing it into smaller sub-problems, each solved collaboratively by multiple agents. This approach reduces the complexity of the problem and improves the exploration of design policies. During training, a centralized critic uses global structural information to guide the agents, enabling them to jointly optimize their design strategies. As a result, CocoRNA learns high-quality RNA design policies that generalize effectively to unseen structures without additional training. Experiments on the Rfam dataset demonstrate that CocoRNA substantially outperforms state-of-the-art methods in both success rate and design speed. Further experiments on other biological sequence design tasks highlight the effectiveness and broad potential of CocoRNA for complex design tasks.

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arXiv AI Papers

Learning Personalized Memory Gating from Delayed One-Sided Feedback

Long-term memory enables language-model agents to personalize future interactions, but a finite memory bank cannot preserve every extracted fact. Existing memory gating policies are typically shared across users and therefore fail to account for user-specific patterns of future reuse. In this paper, we study memory gating at the fact level. We first propose a retrieval-based labeling strategy that labels each fact by whether it is later retrieved and incorporated into responses. We then formulate online memory gating as contextual apple tasting with delayed one-sided feedback, and propose Warm-Start UCB, which combines offline learning from existing data with online adaptation to the current user. Our theoretical analysis establishes a high-probability regret upper bound of {O}(Tεd{T}) when the delay window is at most O({T}), where T is the total number of rounds, ε is the initialization error, d is the dimension of the feature map, and {O}() hides constant and poly-logarithmic factors. The results of our experiment demonstrate that our method outperforms all baselines under different memory budgets and history lengths, establishing it as a promising personalized memory gating policy.

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arXiv AI Papers

DrugHarness: An Evolvable Agent Harness for Computational Drug Discovery

Computational drug discovery requires agents to compose scientific operations and adapt to changing evidence and constraints. Here we introduce DrugHarness, an evolvable agent harness coupling composable scientific execution with conditional skill induction. Its environment integrates over 80 scientific operations, biomedical resources and task-specific code, preserving associations among candidates, results and artifacts. From execution trajectories and outcome feedback, DrugHarness induces action hypotheses with observable applicability conditions, recommended actions and supporting evidence. An independent review agent evaluates candidate skills derived from these hypotheses through source verification and, when needed, targeted execution trials. Admitted skills guide subsequent tasks and are revised through feedback. Evaluation on MolBench and SMDD-Bench demonstrates capabilities in molecular screening, optimization and constrained design. Without evolution, DrugHarness exceeds reported MolClaw-CC results by 10.8 percentage points in affinity-comparison accuracy and 55% in mean top-three active hits on MolBench. Retrospective evaluation on skill-development tasks shows that evolution increases Qwen's affinity-comparison accuracy from 62.2% to 81.1% and optimization success from 79.5% to 87.2%. In a prospective HPK1 study, DrugHarness achieves a more favorable median docking score than Biomni among system-specific candidates. A synthesized compound achieves a cellular IC50 of 14.19 nM, a 2.64-fold potency improvement over the best input reference, with activity competitive with two selected compounds designed by experienced medicinal chemists. These results support conditional skill evolution for scientific agents and demonstrate a workflow connecting computational drug design with experimental validation.

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arXiv AI Papers

Parametric Resonance in Primal-Dual Learning for Slowly Non-Stationary Constrained MDPs

Primal-dual methods for constrained Markov decision processes are analyzed under a two-timescale assumption, with non-stationarity entering through two channels. In the additive channel, where the constraint level oscillates, the dual oscillation saturates at a floor set by the moving optimum and is amplified linearly by the timescale ratio. In the parametric channel, where the constraint sensitivity oscillates, a coherent modulation carries no resonant forcing at any depth: the dual update's stiffness modulation cancels the primal update's damping modulation. Instability instead comes from a mismatch between the constraint estimate used by the primal update and the measurement used by the dual update, producing a parametric resonance at twice the pair's natural frequency. The tolerated mismatch grows with the square root of the forcing bandwidth and collapses with the square root of the dual-to-primal step-size ratio. These results hold on the tangent linear-quadratic reduction around an active saddle, for one constraint and for K constraints under a common modulation and an isotropy condition. Driving both updates from the same estimate removes the resonant forcing but introduces a stationary offset equal to the estimator's bias. In a Lagrangian soft actor-critic agent, the multiplier locks onto the sub-harmonic at the timescale ratios its identified linear loop predicts and a coherent cost critic suppresses the lock-in, while a proportional (PID) term, predicted to leave the lock-in in place, suppresses most of it through the projection of the multiplier.

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arXiv AI Papers

DLite: History-free Speculative Decoding for Agentic AI

Speculative decoding has become a mainstream technique for accelerating large language model (LLM) inference by using a lightweight draft model to generate candidate tokens that are subsequently verified by the target model. However, agentic workloads introduce long and continuously evolving contexts and frequent multi-turn interactions. Under such workloads, we observe that existing draft models suffer from up to an 80% degradation in acceptance length, while maintaining their historical KV cache introduces substantial system overhead. In this paper, we identify the growing historical context as a common source of both problems and introduce DLite, a history-free speculative decoding framework for agentic AI. DLite directly reuses contextual hidden states from the target model and performs local speculative prediction without explicitly maintaining the historical context, transforming an increasingly complex modeling problem into local simple prediction problem. A lightweight sequential head further restores intra-block causal dependencies with low overhead. To effectively train this heterogeneous history-free architecture, we introduce a tailored two-stage training strategy. Experiments on general-purpose, long-context and agentic workloads show that DLite achieves 2-6 acceptance length and outperforms the state-of-the-art speculative decoding method, DSpark, up to 70%.

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arXiv AI Papers

GLOBE: Evolving Structured Agentic Memory for E-commerce Product Optimization in Generative Search

Optimizing product listings for generative search requires language agents not only to rewrite effectively but also to continually self-improve by retaining successful strategies across diverse categories. However, existing approaches often treat structured listings as free-form text, leaving effective strategies implicit in prompts, search trajectories, or rewritten outputs rather than accumulating them as a reusable agentic memory. To address this limitation, we introduce GLOBE, an agentic framework that drives continual self-improvement by storing optimization knowledge in an evolving handbook of explicit, field-scoped behaviors. In each episode, an Editor applies relevant behaviors and receives rank-based feedback, which a Reflector converts into behavior updates. Crucially for dependable execution in real-world settings, a Moderator removes redundant proposals, a Curator commits accepted changes, and consistently harmful behaviors are deactivated. This cycle transforms episodic feedback into a persistent, field-scoped optimization memory. Experiments show that structured behaviors outperform monolithic prompt optimization, while feedback-driven evolution and moderation further improve effectiveness and reduce downside risk. The learned behaviors also remain effective on unseen product categories, suggesting that agentic memory evolution supports interpretable and transferable product optimization.

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arXiv AI Papers

Tool Recommendation for Multi-Step Agents: Finding Every Tool a Task Needs

A multi-step agent task fails when a single tool it needs is missing, yet the tools an agent may need are too many to list: the roughly 8,200 tools on the platform we study have definitions that together exceed the context window of any model we evaluate. We present Tool Recommendation, a deployed system that gives an agent all of them, hundreds of times more than a typical MCP server exposes, through a fixed interface of three tools. It runs at the gateway between agent and tools, executing every call under the end user's own credentials and checking it against the user's consent for each service and the tools the agent may use. We evaluate it on both a public retrieval benchmark and billed end-to-end session cost. On ToolRet, Tool Recommendation places every tool a query needs in the top ten 57% more often than BM25, a lexical ranking that commercial tool search offers, and compares favorably with published systems up to nine times its size. In paired multi-step workflows, its first recommendation covered every required tool in 93% of Codex sessions, and against a fixed list of 100 tools it cut input tokens by 17% with Codex and 40% with Claude Code and the total bill in all 14 runs, by up to 40%, with no change in task completion.

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arXiv AI Papers

HardEval: An Execution-Verified Benchmark for AI-Driven Security Hardening and Compliance Remediation

Implementing Security Technical Implementation Guide (STIG) controls remains a demanding operating-system administration task. Each natural-language security requirement must be translated into a precise and persistent configuration change. These changes span Secure Shell (SSH) configuration, authentication policy, audit rules, and kernel parameters. Existing benchmarks do not measure whether a model can perform this task on a live system. Code benchmarks evaluate isolated programs without persistent system state, while agent benchmarks largely focus on applications rather than operating-system configuration. In this paper, we introduce HardEval, an execution-verified benchmark for evaluating language-model-assisted security hardening. HardEval is built from Red Hat Enterprise Linux 8 STIG controls that fail on an unhardened baseline system. Expert-written reference remediations and Open Vulnerability and Assessment Language (OVAL) checks serve as hidden ground truth for grading; they are never shown to the model, and each task states only the required security outcome while withholding the implementation. The model produces a Bash script, which is executed on a live virtual machine and graded from fail to pass using the corresponding OpenSCAP/OVAL compliance check. Evaluation of fourteen frontier and open-weight configurations reveals large and uneven capability differences across security domains. A recurring failure mode is plausible security code that does not satisfy the exact compliance condition. For four open-weight configurations, multi-run Wilson confidence intervals preserve the observed ordering. HardEval is publicly available.

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arXiv AI Papers

On the possibilities and limitations of LLM-based multi-agent systems for multi-criteria decision-making in healthcare operations management

Multi-criteria models for healthcare operations need weights that express how stakeholders trade off patient waiting time, provider workload, and operating cost, but these weights are difficult to quantify. Teams of large language model (LLM) agents, each prompted to represent a stakeholder, have been used to supply them. We propose a framework for assessing the reliability of LLM-generated preferences as inputs to multi-objective optimization and quantifying how their uncertainty affects decisions. We study explicit preferences by asking agents to rate the importance of the criteria in an outpatient appointment scheduling problem, and implicit preferences by inferring trade-offs from the agents' pairwise choices between emergency department configurations. The computational experiments show that the explicit preferences respond to the clinic's operating conditions and differ across roles, but deliberation among the agents can erase these differences, whereas simple averaging preserves them. The pairwise choices used to reveal the agents' implicit preferences depend largely on which option is presented first, and we find limited evidence that a statistical model using contextual information alongside presentation order predicts the agents' choices on new comparison pairs better than a model using presentation order alone. We then formulate robust weighted-sum optimization models to account for preference uncertainty. In most cases, these models select different schedules or configurations from those obtained using average preference weights. These results indicate that LLM-generated preferences need an audit of this kind before they are used as optimization weights in healthcare decision support.

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GitHub Releases (AI inference)

transformers Release v5.20.1

Release v5.20.1 Special surprise including the new model Beam from Reflection AI :partying_face: Beam is a token-efficient, frontier-scale model focused on coding and agentic use cases. It is built for teams that want to run a powerful model on their own hardware, infrastructure, or cloud, and customize it to their specific needs. Links: [Documentation](https://huggingface.co/docs/transformers/main/en/model_doc/beam) Fix small bu

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arXiv AI Papers

Robust Function Calling for LLM Agents Under Interface Drift

Tool-augmented language-model agents rely on interface text: tool descriptions, argument schemas, and the candidate tool list shown at inference time. These interfaces often change after deployment even when the underlying tool semantics remain fixed, creating a practical reliability problem for function-calling systems. We study this failure mode as interface drift and evaluate whether a lightweight, training-free repair layer can recover robustness without retraining the base model. Our method, SchemaShield-Lite, combines schema validation, candidate-set retry for missing tool names, and one-shot constrained repair. On Qwen3.5-9B, it raises DICE-300 accuracy from 0.717 to 0.813 and BFCL-200 accuracy from 0.580 to 0.805, recovering 19/22 and 33/45 drift-induced failures with no observed repair harms. Naive retry does not explain the gains. Ablations show that candidate-set drift, especially distractor tools, accounts for most observed damage, while description and schema edits alone are less harmful. The results position validation-and-repair as a practical robustness layer for deployed LLM-agent tool use.

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arXiv AI Papers

AgentOnto: Ontology-Guided LLM Agents for Enterprise Data Analytics

Enterprise data analysis requires agents to connect analytical requests with knowledge distributed across databases, business documents, and existing example tasks. Without an explicit representation of this knowledge, an agent may produce incorrect analytical results and cannot reliably incorporate feedback. We present AgentOnto, an ontology-guided LLM agent for enterprise data analytics. AgentOnto organizes heterogeneous enterprise knowledge into an ontology that directly guides analysis and incorporates confirmed feedback. Iterative Ontology Preparation further improves the ontology through self-generated analysis tasks. We evaluate AgentOnto on two public data sources. AgentOnto substantially outperforms representative methods, while module-level evaluations confirm the effectiveness of ontology construction, analysis, and updating. A real-world deployment further demonstrates its practical value in enterprise analytics. These results demonstrate that explicitly constructing, using, and updating enterprise knowledge supports reliable and adaptable data analysis.

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