University of California San Diego
Abstract:Test-time scaling has become a major way to improve large language model reasoning, but its orchestration has remained designer-engineered: a fixed sample budget, a fixed refinement loop, a fixed scoring rule, or a fixed search policy decides how compute is spent, leaving the model in charge of solving but not of orchestration. We introduce ATLAS, an agentic test-time scaling framework in which an LLM orchestrator owns the control loop end-to-end. Through a single action, explore, which dispatches a fresh independent solver on the original problem, the orchestrator decides whether to gather more evidence, when to stop, and how to synthesize the final answer; the action space is extensible, with each explore call optionally specifying solver, reasoning effort, or prompting strategy. We evaluate ATLAS on four benchmarks covering scientific question answering, code generation, and multimodal reasoning under a Claude Sonnet 4.6 backbone, where it reaches 56.00% on HLE-Verified, 82.29% on LiveCodeBench, 85.75% on GPQA-Diamond, and 23.71% on BabyVision while using far fewer API calls than fixed-workflow baselines. A multi-model extension, ATLAS-MM, that exposes solver choice as an additional action dimension further improves HLE-Verified to 60.00% and LiveCodeBench to 85.63%, with consistent gains on GPQA-Diamond and BabyVision. Ablations replacing the orchestrator's direct synthesis with a separate integrator degrade or fail to improve accuracy on three of four benchmarks, consistent with the role of stateful evidence management in producing the gains.
Abstract:Prompt-injection detectors are heterogeneous: each is strong on a different slice of attacks, and none is always reliable. Yet existing systems still treat detection as a fixed single-detector pipeline, committing every request to one detector's blind spots. We reframe defense as detector allocation: given a heterogeneous pool, decide per request which detectors to run and whether to escalate to an LLM judge. Our framework SCOUT (Scalable and Controllable Outcome-prediction for Uncertainty-aware Triage) makes this decision dynamic by predicting each detector's per-sample reliability and latency from how it behaved on similar past inputs, and exposes a single safety-utility threshold to the operator (where utility bundles benign-pass rate and wall-clock). To evaluate this setting, we build SCOUT-450, a benchmark that captures the structurally complex, agent-facing injections that older prompt-injection sets under-represent. On SCOUT-450, a safety-oriented operating point reduces attack-success rate by 46% and total wall-clock by 40% relative to an always-on GPT-4o judge, at a 5.1-point benign-utility drop. SCOUT also transfers to three external benchmarks (BIPIA, IPI, and IHEval), improving the safety-utility frontier.
Abstract:AI models underpin data-centric applications from image and text processing to scientific discovery in biology, physics, and chemistry. Yet developing them remains heavily manual, requiring practitioners to design architectures, build training pipelines, and iteratively refine solutions, making it challenging for natural scientists without specialized AI engineering expertise to build the high-performing models their research demands. To reduce this burden and broaden access to AI for scientific discovery, agents that automatically build AI models have been proposed. However, the performance of these agents is largely limited by the parametric knowledge of their underlying large language models, which is static, often outdated, and sparse on practical AI model engineering know-how. To address this limitation, we introduce AIBuildAI-2, a knowledge-enhanced agent with an external, evolving knowledge system for automatically building AI models. The knowledge system of AIBuildAI-2 is hierarchical, organizing curated AI development knowledge into high-level knowledge instructions over topical categories and low-level knowledge documents under each category, from which the agent dynamically loads only the context relevant to its current state and the AI task being solved, grounding each design and implementation decision in concrete, externally verifiable expertise. The system is initialized by collecting and cleaning AI-development-related documents from the web and organizing them into the corresponding categories, and continually evolves from the agent's own experience by distilling each completed run on an AI task into structured takeaways that are written back into the knowledge system. AIBuildAI-2 achieves state-of-the-art results, ranking first on MLE-Bench with a 70.7% medal rate and placing in the top 6.6% among 4,370 human-expert teams in a heart disease prediction competition.
Abstract:Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift marks a transition from task-level AI for science to workflow-level research automation. Yet current systems remain fragmented, differing in autonomy, domain scope, execution environment, validation mechanism, and human oversight, while still struggling with evidence preservation, reproducibility, weak-direction rejection, provenance tracking, cross-domain robustness, and accountable scientific closure. This survey examines these developments through AutoResearch, defined as the developmental spectrum of AI-powered scientific workflow automation. Within it, Vibe Research denotes the human-steered region of prompt-based assistance and human-verified execution, whereas emerging AI-led systems coordinate larger portions of the discovery loop without achieving robust autonomy. We analyze how research systems redistribute control, evidence, execution, validation, and accountability across workflows and organize the field around five workflow conditions: literature and research grounding; hypothesis formation and planning; experimentation and tool use; feedback, validation, and review; and reporting and knowledge communication. We further synthesize AI scientist systems, mixed-initiative co-research frameworks, benchmarks, domain deployments, and open-source infrastructures. Finally, we propose five evaluation dimensions--novelty, validity, impact, reliability, and provenance--and show that AutoResearch autonomy is domain-conditioned, being more credible in structured, executable, and rapidly verifiable settings but limited in embodied, delayed, heterogeneous, ethical, or institutionally accountable contexts.
Abstract:Large language models (LLMs) often expose useful signals of self-monitoring: before solving a problem, they can estimate whether they are likely to succeed, and after solving it, they can judge whether their answer is likely to be correct. However, these signals are typically measured or elicited in isolation, rather than used to control inference. In this work, we ask whether LLMs possess latent metacognitive ability that can be turned into effective test-time control. Inspired by the Nelson--Narens theory from cognitive psychology, we propose a metacognitive harness that separates monitoring from reasoning. For each problem, the model first reports a pre-solve feeling-of-knowing (FOK) signal; after each solve attempt, it reports a post-solve judgment-of-learning (JOL) signal. Rather than treating these signals as passive confidence estimates, the harness turns them into an explicit control interface for reasoning: it decides when to trust the current solution, when to retry with compact metacognitive feedback, and when to pass multiple attempts to a final aggregator. Across text, code, and multimodal reasoning benchmarks, our harness substantially improves a fixed Claude Sonnet-4.6 base model without parameter updates or benchmark-specific fine-tuning. On the evaluated public benchmark snapshots, it raises pooled accuracy from 48.3 to 56.9 and exceeds the strongest listed leaderboard entries on the three primary evaluation settings: HLE-Verified, LiveCodeBench v6, and R-Bench-V. These results suggest that strong LLMs may already possess useful metacognitive ability, but require an explicit control harness to act on it during reasoning.
Abstract:Despite the success of large language models (LLMs) on general-purpose tasks, their performance in highly specialized domains such as biomedicine remains unsatisfactory. A key limitation is the inability of LLMs to effectively leverage biomedical tools, which clinical experts and biomedical researchers rely on extensively in daily workflows. While recent general-domain tool-calling datasets have substantially improved the capabilities of LLM agents, existing efforts in the biomedical domain largely rely on in-context learning and restrict models to a small set of tools. To address this gap, we introduce BioTool, a comprehensive biomedical tool-calling dataset designed for fine-tuning LLMs. BioTool comprises 34 frequently used tools collected from the NCBI, Ensembl, and UniProt databases, along with 7,040 high-quality, human-verified query-API call pairs spanning variation, genomics, proteomics, evolution, and general biology. Fine-tuning a 4-billion-parameter LLM on BioTool yields substantial improvements in biomedical tool-calling performance, outperforming cutting-edge commercial LLMs such as GPT-5.1. Furthermore, human expert evaluations demonstrate that integrating a BioTool-fine-tuned tool caller significantly improves downstream answer quality compared to the same LLM without tool usage, highlighting the effectiveness of BioTool in enhancing the biomedical capabilities of LLMs. The full dataset and evaluation code are available at https://github.com/gxx27/BioTool
Abstract:AI models underpin modern intelligent systems, driving advances across science, medicine, finance, and technology. Yet developing high-performing AI models remains a labor-intensive process that requires expert practitioners to iteratively design architectures, engineer representations, implement training pipelines and refine approaches through empirical evaluation. Existing AutoML methods partially alleviate this burden but remain limited to narrow aspects such as hyperparameter optimization and model selection within predefined search spaces, leaving the full development lifecycle largely dependent on human expertise. To address this gap, we introduce AIBuildAI, an AI agent that automatically builds AI models from a task description and training data. AIBuildAI adopts a hierarchical agent architecture in which a manager agent coordinates three specialized sub-agents: a designer for modeling strategy, a coder for implementation and debugging, and a tuner for training and performance optimization. Each sub-agent is itself a large language model (LLM) based agent capable of multi-step reasoning and tool use, enabling end-to-end automation of the AI model development process that goes beyond the scope of existing AutoML approaches. We evaluate AIBuildAI on MLE-Bench, a benchmark of realistic Kaggle-style AI development tasks spanning visual, textual, time-series and tabular modalities. AIBuildAI ranks first on MLE-Bench with a medal rate of 63.1%, outperforming all existing baseline methods and matching the capability of highly experienced AI engineers. These results demonstrate that hierarchical agent systems can automate the full AI model development process from task specification to deployable model, suggesting a pathway toward broadly accessible AI development with minimal human intervention.
Abstract:Generative AI models pose a significant challenge to intellectual property (IP), as they can replicate unique artistic styles and concepts without attribution. While watermarking offers a potential solution, existing methods often fail in complex scenarios where multiple concepts (e.g., an object and an artistic style) are composed within a single image. These methods struggle to disentangle and attribute each concept individually. In this work, we introduce TokenTrace, a novel proactive watermarking framework for robust, multi-concept attribution. Our method embeds secret signatures into the semantic domain by simultaneously perturbing the text prompt embedding and the initial latent noise that guide the diffusion model's generation process. For retrieval, we propose a query-based TokenTrace module that takes the generated image and a textual query specifying which concepts need to be retrieved (e.g., a specific object or style) as inputs. This query-based mechanism allows the module to disentangle and independently verify the presence of multiple concepts from a single generated image. Extensive experiments show that our method achieves state-of-the-art performance on both single-concept (object and style) and multi-concept attribution tasks, significantly outperforming existing baselines while maintaining high visual quality and robustness to common transformations.
Abstract:The Segment Anything Model has revolutionized image segmentation with its zero-shot capabilities, yet its reliance on manual prompts hinders fully automated deployment. While integrating object detectors as prompt generators offers a pathway to automation, existing pipelines suffer from two fundamental limitations: objective mismatch, where detectors optimized for geometric localization do not correspond to the optimal prompting context required by SAM, and alignment overfitting in standard joint training, where the detector simply memorizes specific prompt adjustments for training samples rather than learning a generalizable policy. To bridge this gap, we introduce BLO-Inst, a unified framework that aligns detection and segmentation objectives by bi-level optimization. We formulate the alignment as a nested optimization problem over disjoint data splits. In the lower level, the SAM is fine-tuned to maximize segmentation fidelity given the current detection proposals on a subset ($D_1$). In the upper level, the detector is updated to generate bounding boxes that explicitly minimize the validation loss of the fine-tuned SAM on a separate subset ($D_2$). This effectively transforms the detector into a segmentation-aware prompt generator, optimizing the bounding boxes not just for localization accuracy, but for downstream mask quality. Extensive experiments demonstrate that BLO-Inst achieves superior performance, outperforming standard baselines on tasks in general and biomedical domains.
Abstract:Model routing chooses which language model to use for each query. By sending easy queries to cheaper models and hard queries to stronger ones, it can significantly reduce inference cost while maintaining high accuracy. However, most existing routers treat this as a fixed choice among a small set of models, which makes them hard to adapt to new models or changing budget constraints. In this paper, we propose SCOPE (Scalable and Controllable Outcome Performance Estimator), a routing framework that goes beyond model selection by predicting their cost and performance. Trained with reinforcement learning, SCOPE makes reasoning-based predictions by retrieving how models behave on similar problems, rather than relying on fixed model names, enabling it to work with new, unseen models. Moreover, by explicitly predicting how accurate and how expensive a model will be, it turns routing into a dynamic decision problem, allowing users to easily control the trade-off between accuracy and cost. Experiments show that SCOPE is more than just a cost-saving tool. It flexibly adapts to user needs: it can boost accuracy by up to 25.7% when performance is the priority, or cut costs by up to 95.1% when efficiency matters most.