Tree Search

Coding agents can recursively modify their own implementations, forming a loop of self-improvement. While prior work shows this can boost performance on coding benchmarks, existing approaches are costly and compute-intensive. We introduce a simple, sample-efficient self-improvement framework that significantly improves coding performance under strict budget constraints. We identify evaluation of candidate self-modifications as the main runtime bottleneck since prior approaches estimate their effectiveness by re-running a subset of benchmark tasks with the modified agent, which is time-consuming. We introduce Recursive Self Improvement via Fast Tree-search (SIFT), which augments these downstream task evaluations with an LLM-as-a-judge signal that performs pairwise comparisons between candidate patches, where the win-loss record is aggregated with a regularized Bradley-Terry model, and the resulting strength scores drive rank-based parent sampling inside a lightweight disaggregated tree search. Expensive downstream task evaluations are reserved only for the most promising nodes. Using a fully disaggregated tree search pipeline, the judge scores provide intermediate signal to guide exploration on promising candidate patches without being bottlenecked by slow evaluation runs. SIFT outperforms existing tree-search based self-evolution frameworks on the full Polyglot benchmark with significantly lower resource requirements in terms of CPU hours, wall clock time, and API cost.

Many learned sequential decision systems map the current state directly to an action. That shortcut becomes brittle when candidate actions are numerous, geometrically structured, and rebuilt with the state. One-to-many mobile charging makes this setting concrete: with N=250 sensors, the initial state induces about 1,125 candidate charging-stop actions; each chosen stop simultaneously serves its in-range sensors, and the action universe changes as sensors die. LP-BTS is a learning-guided planning architecture: a graph proposal policy concentrates a small candidate support, a learned value critic evaluates leaves, and edge-budgeted PUCT compares short simulated futures before committing an action. Because the policy scores this set without a fixed output head, a single frozen checkpoint covers every evaluated setting, spanning action universes from 736 to 2,813 stops. Matched ablations reveal complementary effects: uniform sampling costs 8.8 survival percentage points, while, with targeted support fixed, PUCT jointly retains 1.4 points (about 3.5 of 250 sensors) and direct policy selection travels 23% farther. On a prospectively specified, sealed 30-scenario confirmatory bank evaluated once, LP-BTS attains the highest observed survival (0.4545) and alive-AUC (0.8031). Its estimated survival advantage over the strongest domain-engineered comparator is +0.0066 (95% CI [-0.0037, +0.0184]), an unresolved difference, while it exceeds a deadline heuristic and two source-derived direct-policy reconstructions on every paired scenario. Both learned rows are trained, source-derived reconstructions of variants reported by Gong et al. In this setting, the results provide controlled evidence about learning-guided planning in a large, dynamic action space.

As the number of autonomous robots continues to grow, safety becomes increasingly important. Control barrier functions (CBFs) provide a theoretically grounded framework for ensuring safety, but existing design methods often face limitations in effectiveness, scalability, or interpretability, and may result in overly conservative safe sets. In this paper, we propose \emph{VertexCBF}, a framework for learning neural CBFs in a scalable, systematic, and explainable way. We approximate the stationary Hamilton--Jacobi value function using a neural network trained via a combination of physics-informed and sparsely supervised learning. By exploiting control-affine dynamics and a convex polytope control set, under which the Hamiltonian is maximized at the control vertices, we efficiently generate supervision points via GPU-parallel vertex-restricted tree search, while a residual architecture guarantees that the learned CBF is never larger than the specified constraint function. We evaluate the method on 15 systems and compare it against relevant baselines, showing that it reliably recovers large safe sets where the baselines are conservative or fail completely. In addition, we perform a hardware experiment in which a mobile robot safely avoids pedestrians using a neural CBF trained with our method.

As pretraining scaling laws approach saturation, Test-Time Scaling (TTS) has emerged as an important direction for improving reasoning by allocating inference-time compute to a fixed model prior. Viewed at a high level, TTS reframes inference as search over a space of partial reasoning states. While Chain-of-Thought (CoT) exposes intermediate steps, common instantiations rely on single-trajectory decoding, limiting recovery from early errors and exploration. This survey systematizes recent progress in tree-search-based reasoning, viewing inference as instance-specific optimization rather than decoding. We trace the evolution from uninformed search to Monte Carlo Tree Search (MCTS), highlighting how sampling-based control supports principled exploration-exploitation trade-offs. To unify a fragmented literature, we introduce a Unified Design Space spanning search topology, evaluation signals, and control dynamics, and advocate a standardized compute-reporting abstraction to make compute-accuracy trade-offs explicit and comparable.

A slew of recent works develop agents for solving research problems end-to-end, a paradigm increasingly referred to as autoresearch. Such agents have inspired large industry investment, motivated by their potential to automate time-consuming human labor and customize machine learning solutions for specialized applications. In this paper, we study the modeling pipeline at the core of these autoresearch systems and identify common failure modes when they are applied to tabular datasets: (1) they waste compute resolving the same bugs over and over again; (2) they often fail to tune hyperparameters even when they have a large remaining compute budget; (3) the tree-search algorithms that power them do not explore; and (4) they perform data analysis, mimicking the humans whose data they are trained on, but do not use that analysis to make downstream decisions. We explore targeted interventions and find that a global debug consultant that shares discovered runtime constraints across all branches of the search tree, prompt- and control-level enhancements, and refined tree-search algorithms successfully recover wasted compute. Our results show that large gains in autoresearch agent performance are achievable through agentic design alone, holding the underlying language model fixed.

Tree Search-based test-time scaling of LLMs is a powerful tool for automated scientific coding. However, pure Tree Search sometimes struggles with systematic exploration, becoming trapped in local optima, or unproductive loops, especially in the vast search space of scientific methods. To address this limitation, we propose Idea Search, a framework that systematically integrates a dynamic "Idea Bank" into Tree Search. Idea Search involves three steps: (1) decomposing existing methods into atomic ideas, (2) sampling from this bank of ideas to guide branches of code mutations, and (3) dynamically updating the bank with new ideas discovered through execution. On single-cell RNA-sequencing (scRNA-seq) batch integration, Idea Search reliably breaks the plateau of a strong pure Tree Search baseline, improving the mean score from 0.678 to 0.697 and reaching a best score of 0.728. We then characterize which design choices drive these gains: bank augmentation helps bandit sampling but not random sampling, "Exploratory" prompting that prioritizes new ideas surfaces the rare best-performing solutions, while increasing sampling-level exploration is counterproductive.

A skill is a naturallanguage document that steers a frozen agent whose weights cannot be updated so any capability the agent lacks must be supplied in prose Optimising a skill is therefore optimising text against a score and the standard recipe which keeps any edit that raises a heldout score is blind in a specific way a single score cannot tell a document perched on a narrow overfit spike from one resting on a broad plateau even though only the second can still be improved We introduce BONSAI a novel skilloptimisation framework that steers instead by evolvability the capacity of a region of documentspace to keep producing viable variation under further mutation a property biology treats as separate from present fitness BONSAI grows skills as a MonteCarlo search tree in which every child document is a mutation of its parent and descends it under an upperconfidence selection rule whose exploitation term blends a skills own fitness with the fitness of its mutational neighbourhood Because every child is a mutation the mean score recorded beneath a node estimates that neighbourhoods evolvability at no extra cost so the rule concentrates budget on regions that keep improving while its exploration term keeps a currently weak branch in contention BONSAI ships the single bestscoring document it finds at no cost beyond the acceptifbetter loop it replaces With a frozen 30B agent and averaged over three benchmarks BONSAI lifts heldout accuracy over the skillfree agent by 2313 points and improves on two budgetmatched baselines GEPA and SkillOpt by 387 and 397 points respectively

Complex systems, core objects of study in artificial life, model diverse phenomena through nonlinear, feedback-driven interactions that produce emergent behavior, with applications from population dynamics and biology to economic policy and strategic decision-making. Yet the difficulty of predicting how feedback structure gives rise to emergent behavior, a central open problem in artificial life, makes goal-directed design exceptionally challenging. In established practice, system structures are written in specialized modeling languages such as DYNAMO or STELLA, compounding the challenge with labor-intensive workflows that limit adoption and hinder timely decision-making. To address these challenges, we introduce CEDAR, an autonomous method that uses Large Language Model (LLM) agents to discover complex systems satisfying user-specified behavioral goals. Our key innovation is an LLM-driven Monte Carlo Tree Search (MCTS) deeply coupled with complex systems: at each iteration, an LLM Judge evaluates emergent behavior against specified goals and an LLM Editor proposes improved variants, with the Judge acting as a fitness function and the Editor as a variation operator, akin to a generate-and-evaluate loop in evolutionary computation. We represent complex systems as a restricted, runnable subset of Python with domain-specific primitives, letting LLMs modify system dynamics directly. CEDAR formalizes this as an MCTS variant with an LLM-parameterized transition kernel and value function, enabling goal-directed discovery of complex system behaviors while preserving solution diversity, and its LLM-based interpretability reveals how structural changes drive emergent behavior. CEDAR reduces human effort while enabling capabilities difficult to achieve with existing approaches, facilitating broader adoption of complex systems across domains.

Automatically generating professional multimodal reports comprising both textual analysis and visual charts from structured tabular data is a critical challenge in data intelligence. Existing methods suffer from fixed linear pipelines and isolated subtask processing, which hinder joint optimization of factual accuracy, visual quality, and narrative coherence. To address these issues, this paper proposes MCTS-Report, a Monte Carlo Tree Search (MCTS)-driven framework that formulates multimodal table-to-report generation as a progressive construction process over a structured search space. The core idea is to decompose report generation into atomic actions, including chapter planning, visualization task identification, chart generation, insight organization, and narrative refinement, each executed by an LLM based on dynamic reasoning conditioned on the current report state. We use an LLM to generate step-by-step reasoning and actions during MCTS, storing the reasoning trajectory in each node for context-aware, coherent report construction. To guide the search, we design a multi-dimensional reward function that jointly evaluates numerical fact consistency (via SQL), chart quality, chart-text alignment, and structural completeness, while incorporating a diversity penalty to suppress repeated charts and a precondition check to prune invalid actions. We also construct MMRBench, a comprehensive benchmark comprising real-world tables from six domains, paired with expert-refined reference report structures and verifiable key insights. Experiments on MMRBench demonstrate that MCTS-Report significantly outperforms strong baselines across structural completeness, numerical accuracy, chart-text alignment, and insight novelty, achieving a 77.9 overall score.

Branch and Bound (BaB) aims to achieve complete verification of neural networks by adaptively partitioning the problem and applying off-the-shelf verifiers to subproblems. Its problem-splitting history can be represented as a tree, where each subproblem corresponds to a child node. A key problem of BaB lies in searching for the verdict boundaries across all the paths that divide the verified and unverified subproblems. We observe that the existing BaB approach tackles this problem by solving each expensive subproblem sequentially along the tree path as its depth increases, requiring costly bounds propagation at every visited BaB tree node (i.e., subproblem), which is inefficient. To address this issue, we propose effective search approaches that leverage the monotonicity of each path to efficiently and precisely locate the verdict boundary by simultaneously splitting multiple activation functions (e.g., ReLU), rather than processing them one at a time as in the classical approach. Our approach performs an effective exponential search along each path, allowing us to skip many boundary-unrelated subproblems when identifying the verdict boundary. The enhanced version further improves this process by estimating the boundary's position using quantitative information obtained from subproblem solving. We perform experimental evaluation on commonly-used benchmarks to assess our proposed techniques, and compare them with recent BaB-based approaches.

Scientific question answering requires a retrieval system to solve two distinct problems: identifying which papers are relevant and locating the supporting evidence within those papers. Conventional retrieval-augmented generation typically addresses both through similarity search over fixed-length passages, flattening document structure and separating scientific claims from their methodological and argumentative context. We present VecTree-RAG, an agentic framework that assigns these tasks to complementary retrieval mechanisms. Vector search ranks compact document and section representations across the corpus, whereas reasoning-guided traversal of source-verified section trees localizes evidence within shortlisted papers. Full text is retained in a page store and exposed progressively only after structural localization. We evaluate VecTree-RAG on 300 QASPER questions, an open-access subset of 54 LitQA2 questions, and 49 multi-document MOSAIC questions. Compared with Dense RAG, reranked Dense RAG, RAPTOR, and Search-o1, VecTree-RAG obtained the highest observed answer score on all three benchmarks, reaching 0.800 LLM-judge correctness on QASPER, 0.925 accuracy on LitQA2, and a 0.547 composite score on MOSAIC. On QASPER, its evidence-page precision was 0.274, compared with 0.046--0.071 for the baselines. LitQA2 ablations further showed that the complete vector--tree architecture required fewer inference tokens than variants without tree navigation or corpus-level vector routing. These results indicate that vector retrieval narrows the corpus-level search space and tree navigation concentrates reading on structurally relevant evidence. Although multi-turn inference remains more expensive than single-call retrieval, VecTree-RAG provides a structure-aware and traceable architecture for scientific literature question answering.

Fast planning of novel behaviors in unseen scenarios remains a fundamental challenge in robotics. The high-dimensional, hybrid, and underactuated nature of humanoid loco-manipulation continues to hinder the realization of this goal. In this paper, we address this challenge by proposing a nested kino-dynamic framework for rapid feasibility checking and dynamically consistent trajectory generation given a candidate contact sequence. By integrating this module with a feasibility-guided tree search and a Large Language Model (LLM)-based contact plan sampling strategy, we demonstrate that the proposed framework can substantially improve the search process. Furthermore, we show that the generated trajectories can be tracked using a reinforcement learning (RL)-based controller and show that the resulting trajectories are of sufficiently high quality for execution in real-world loco-manipulation scenarios. A supplementary video is available at: https://youtu.be/R6qCHoCormQ.

Tree search algorithms enable systematic exploration of the proof space in neural theorem proving. Existing LLM tree search libraries primarily target natural language reasoning and do not provide native integration with formal verifiers, while theorem proving systems often rely on task-specific search implementations. We introduce TreeThink, an open-source Python library for modular, fully asynchronous tree search in neural theorem proving. It integrates established tree search methods with vLLM-based inference pipelines and diverse node evaluation techniques, ranging from lightweight heuristics to neural evaluators. We support Lean~4, Rocq, and Isabelle/HOL alongside natural language. It connects directly to each language's Read-Eval-Print Loop (REPL) server for real-time verification and proof state extraction. We evaluate TreeThink on miniF2F and MATH500, demonstrating cross-language formal proof search, natural language reasoning support, and up to 8.0$\times$ wall-clock speedup from asynchronous execution. Source code is released under the MIT license at https://github.com/GGLAB-KU/treethink , and the library is accessible as a downloadable package at https://pypi.org/project/treethink/ .

Large Language Model (LLM) agents have shown promise in multi-step planning tasks, but existing approaches like LATS (Language Agent Tree Search) and ReAct rely heavily on LLM inference during planning, leading to high computational costs and stochastic behavior. We present \textbf{GATS} (Graph-Augmented Tree Search), a planning framework that combines systematic UCB1-based tree search with a layered world model to eliminate LLM calls during inference while achieving superior planning performance. Our three-layer world model integrates: (L1) exact symbolic action matching, (L2) statistics learned from execution logs, and (L3) LLM-based prediction for unknown actions. On synthetic planning tasks with branching paths and dead-ends, GATS achieves \textbf{100% success rate} compared to 92 % for LATS and 64% for ReAct. On a comprehensive stress test spanning 12 challenging scenarios -- including coding workflows, web navigation, and long-horizon tasks -- GATS maintains \textbf{100% success} while LATS drops to 88.9 % and ReAct to 23.9%. GATS requires \textbf{zero LLM calls per task} during planning (vs. 37 per task for LATS) and produces deterministic plans with zero variance across runs. Our results demonstrate that systematic search with learned world models can substantially outperform LLM-guided exploration for agent planning.

Computing Nash equilibrium policies in multi-agent Pursuit-Evasion games (PEG) is challenging due to the exponential growth of the joint state and action spaces with the number of agents. Existing approaches either rely on offline equilibrium approximations, which may lack adaptability during execution, or online planning methods, which suffer from large branching factors. In this work, we propose Primitive-Guided Tree Search (PGTS), a hybrid framework that integrates offline exact Nash equilibrium computation with online tree search: PGTS first solves a collection of smaller, tractable sub-games offline; at deployment, PGTS performs online tree search at each time step, using the optimal sub-game policies and value functions to guide tree expansion and estimate leaf-node values. Extensive experiments on varied graph topologies, including real-world networks, demonstrate that PGTS significantly outperforms state-of-the-art learning and heuristic baselines, while maintaining robust performance against adversaries.

Speculative decoding accelerates LLM inference by drafting several tokens and verifying them in parallel. Block-diffusion drafters such as DFlash produce a draft block in one pass but model only per-position marginals, and best-first tree methods such as DDTree expand candidate trees from those marginals. The released Domino drafter adds a GRU-based causal correction that makes each draft token distribution path-dependent, a structure DDTree's factorized formulation cannot represent. We introduce DominoTree, a training-free best-first draft tree scored by Domino's conditional, non-factorized correction along each root-to-node path, made practical by restricting the per-node correction to a candidate top-M set. On Qwen3-4B across eight benchmarks, DominoTree reaches up to 6.6x speedup over autoregressive decoding and the highest mean accepted length of any evaluated method, up to 10.7 tokens per round, at every tested temperature. DominoTree constructs its tree with a GPU-native CUDA-graph builder that is bit-identical to a reference Python implementation, so acceptance is unchanged, while keeping per-round tree construction cheap. With this builder as default, DominoTree improves throughput over the released Domino decoder, the drafter it builds on, at every tested temperature: 9% to 10% overall on Qwen3-4B and up to 22% on Alpaca. It also outperforms DDTree and CaDDTree at every tested temperature, not only under greedy decoding. On Qwen3-8B, DominoTree keeps the highest accepted length at every temperature and gives a 24% throughput gain over DDTree at T=0; at higher temperature its edge over DDTree and CaDDTree narrows to a tie and a small loss, while its aggregate gains over DFlash and Domino persist.

Vision-Language-Action (VLA) models acquire broad embodied capabilities through large-scale pretraining, yet their generalization remains far more fragile than that of LLMs and VLMs. The prevailing remedy, post-training via supervised fine-tuning or reinforcement learning, improves task-specific performance but narrows the generalist capability that makes pretraining valuable. We identify a key bottleneck: VLA failures stem not only from action generation but also from action evaluation. A diagnostic pass@k study confirms that frozen VLAs already contain competent behaviors in their output distribution, with overall success rates rising from 33% at pass@1 to 92% at pass@32. Inspired by this, we propose SVA (Search, Value, and Act), a simple framework that equips frozen VLA policies with long-term consequence awareness. SVA first uses Monte-Carlo tree search in simulation to fully explore the VLA's output distribution and collect diverse trajectories annotated with empirical returns; this knowledge is then distilled into a lightweight Q-value model that predicts the expected consequence of candidate actions; at deployment, the frozen VLA proposes multiple candidates and the evaluator selects the one with the highest uncertainty-regularized Q-value, requiring no simulator access. By decoupling action proposal from consequence evaluation, SVA preserves the generalization capacity of the VLA backbone while substantially improving task success rates. Experiments across embodied benchmarks show that SVA consistently improves generalization on unseen tasks and exhibits strong test-time scaling behavior. Strikingly, SVA enables a 9B VLA to outperform a 27B VLA by 7 points at 27% lower inference latency, suggesting that scaling test-time evaluation is more cost-effective than scaling model size.

Recent tools such as OpenClaw have extended the capabilities of LLM-based agents from simple dialog-based systems to fully autonomous agents. These systems allow personalization of the agent through modifiable internal files and the installation of skills. While this enables deployment in a wide range of settings and the automation of diverse tasks, greater capability and autonomy increases the risk of malicious actions being executed unintentionally. In this work, we explore the interplay between agent configuration and the risk of executing dangerous actions without explicit instruction. To this end, we propose CONfiguration Tree-search for Red-teaming Agents (CONTRA), an LLM-assisted tree-search algorithm that discovers agent configurations resulting in the execution of malicious actions. CONTRA works by reasoning about benign yet dangerous configurations and evaluating them in a simulated environment. We construct a dataset of the 473 most popular skills from a public repository, along with 2-5 corresponding malicious target actions per skill. In a large-scale analysis, we find that 75.1% of skills have at least one configuration resulting in the execution of a malicious action, most of which have not been detected as containing malicious content by existing scans. Overall, CONTRA successfully identifies a configuration leading to the execution of the target action in 39.2% of all tested cases. Our findings demonstrate that current agents provide insufficient safety with respect to personalization.

Scientific discovery can be formulated as an iterative search process over the space of hypotheses and experiments. Contemporary methods navigate this space using heuristics such as MCTS. These algorithms conflate the merit of a hypothesis with the quality of its experimental execution. A promising hypothesis with preliminary execution is therefore ranked below a modest hypothesis whose execution is refined. Moreover, prior methods prune the search logs as the search progresses because the accumulated history outgrows the context window. We propose Agentic Reasoning for Tree Search (ARTS), where we deploy a reasoning language model to navigate this space. The model inspects prior execution logs, diagnoses whether earlier failures arose from faulty implementations or bad hypotheses, and selects the hypothesis to build on next. To mitigate challenges with context length, ARTS uses test-time training to instill the knowledge of search tree in the model weights. Across 22 tasks from MLGym and MLEBench, we show that ARTS outperforms leading algorithms, with over 15.3% relative improvement in the normalized score. With test-time training we show that a Qwen3-4B agent can match performance with closed-source frontier models like Gemini-3 Pro and GPT o3-reasoning with upto 5x lower inference cost. We further observe that on partially observable RL tasks, the test-time trained Qwen3-4B scientist surpasses ARTS with the o3 scientist by rediscovering the human-best recurrent-memory solution that heuristic methods prune away.

Retrieval-augmented generation (RAG) systems must balance retrieval granularity with contextual coherence, a challenge that existing methods address through LLM-guided chunking, single-level context expansion, or hierarchical summarization. These approaches variously depend on costly LLM calls during indexing or retrieval, limit context aggregation to a single granularity level, or introduce information loss through summarization. We present SproutRAG, an attention-guided hierarchical RAG framework that addresses this trade-off by organizing sentence-level chunks into progressively larger but semantically coherent units, using learned inter-sentence attention to construct a binary chunking tree. Unlike prior approaches that rely on external LLMs, fixed context expansion, or lossy summarization, SproutRAG learns which attention heads and layers best capture semantic document structure, enabling multi-granularity retrieval without additional LLM calls or compressed summaries. At retrieval time, SproutRAG uses hierarchical beam search to retrieve candidates at multiple granularities, capturing multi-sentence relevance beyond flat retrieval. The framework is trained end-to-end with a joint objective that improves both embeddings and tree structure. Experiments across four benchmarks spanning scientific, legal, and open-domain settings demonstrate that SproutRAG improves information efficiency (IE) by 6.1% on average over the strongest baseline. Code is available on https://github.com/AmirAbaskohi/SproutRAG.

Optimization modeling is inherently hierarchical, requiring a precise sequence of symbolic commitments. Traditional learning-based automated optimization modeling methods improve modeling policies through large-scale annotated or curated training data, but are costly to adapt to new problem distributions. Meanwhile, one-shot generation remains brittle in hierarchical modeling, where early symbolic errors can propagate into invalid formulations. Test-time scaling offers a promising alternative by enabling structural exploration with additional instance-level computation; however, existing search-based methods typically rely on a fixed policy, causing repeated rollouts to inherit similar modeling biases and providing limited credit assignment for intermediate decisions. To address these limitations, we propose StarOR, a synergistic search-and-adaptation framework that couples MCTS with Test-Time Reinforcement Learning for optimization modeling. StarOR decomposes the modeling process into four stages and updates a transient LoRA adapter via GRPO at each non-terminal node. By using MCTS-generated siblings as local comparison sets, StarOR transforms search-time exploration into instance-specific policy refinement. Moreover, an unsupervised multi-faceted reward system provides fine-grained feedback for intermediate formulation decisions without ground-truth labels. Experiments across five optimization benchmarks show that StarOR achieves state-of-the-art performance even with a 4B backbone, outperforming existing methods and the frontier LLMs.

Arbor is a multi-agent framework that introduces structured tree search as a cognition layer for autonomous agents operating in large, stateful action spaces. Prior autonomous optimization systems operate on isolated targets with stateless evaluation. Arbor instead maintains an explicit search tree of scored hypotheses that serves as the shared working memory across agents, evolving with every measurement, treating failures as diagnostic signal that reshapes subsequent exploration, and expanding as prior successes shift the bottleneck distribution. We validate Arbor on full-stack LLM inference optimization, a domain where achieving peak performance has historically required coordinated effort from engineering teams across the application, framework, compiler, kernel, and hardware stack. Arbor pairs an Orchestrator agent, which drives optimization by delegating to Domain Specialists across the inference stack, with a Critic agent that safeguards stability through root-cause analysis, introspection, and measurement validation -- a checks-and-balances architecture where neither agent can unilaterally drive the system. Agent capabilities are decomposed into hard skills (domain expertise) and soft skills (coordination protocols that determine how contributions compose), enabling fully autonomous multi-day campaigns. Arbor achieves up to 193% inference throughput-latency Pareto improvement over vendor-optimized baselines, while a single agent without the harness plateaus at +33% throughput improvement and crashes irrecoverably within hours. Arbor generalizes to multiple generations of hardware platform, and run-to-run variance is within 2 percentage points demonstrating that the method is hardware-agnostic and reproducible.

Deep search requires agents to answer complex questions through multi-step web search, browsing, evidence comparison, and synthesis. A central challenge is deciding how to search when several directions look plausible but only some will later lead to reliable evidence. If an agent greedily follows the current best-looking direction, it may keep extending a weak continuation. If it explores without discipline, it may waste budget on disconnected trials. We propose TreeSeeker, an inference-time framework for controlled trial-and-error in deep search. TreeSeeker organizes search as branch-and-return search over tree-structured states, where each branch is a tentative direction for a sub-goal. At each round, TreeSearch reads all sub-goal trees, identifies active goals, and uses textual UCB signals of value, uncertainty, and risk to select among exploiting a promising branch, exploring an uncertain alternative, or pruning an unproductive continuation and returning to an earlier branch point. TreeMem supports this control loop by keeping evidence, uncertainty, conflicts, progress, and failure cues attached to the branches that produced them, so trial outcomes can guide later decisions. Experiments on XBench-DeepSearch, BrowseComp, and BrowseComp-ZH show that TreeSeeker consistently outperforms strong open-source baselines, suggesting that explicit branch-and-return control complements stronger reasoning and tool execution.

Meeting documents are challenging to summarize due to their length and complex conversational structure. Existing approaches typically adopt multi-stage pipelines that extract information prior to summarization; however, these approaches often suffer from cumulative error propagation without intermediate validation, a limitation further amplified by short and low-quality reference summaries. We propose segment-level summarization via Monte Carlo Tree Search (S3), a training-free framework that constructs a final summary by composing segment-level summary candidates. S3 partitions a long document into segments and generates multiple summary candidates per segment, forming nodes of a search tree. The best-scoring combination is selected via self-reward-guided tree search and refined into the final output. Despite using a 7B model, S3 achieves performance comparable to larger 72B models while producing length-appropriate summaries.

How can we plan long-horizon routes that reach designated goals, visit required waypoints, and remain short when only short-horizon offline trajectories are available? This problem matters in offline navigation because collecting sufficiently rich long-horizon data is difficult, yet real agents must still solve long-range tasks with route-level efficiency rather than mere feasibility. The difficulty is twofold: at the microscopic level, composing many short-horizon segments creates a trade-off between search cost and path quality, while at the macroscopic level, waypoint ordering requires comparing pairwise travel costs among start, goal, and waypoint anchors that are unknown before planning and increasingly unreliable when estimated only from long-range temporal distance. In this paper, we propose ChronoForest, a closed-loop planning system that couples local bridge search and online route re-solving through an anchor-chaining tree diffusion planner and an online multi-tree orchestrator. ChronoForest uses temporal distance for short-range guidance and node evaluation, while using search-time bridge evidence to validate long-range anchor connectivity and repeatedly re-solve the route. On OGBench AntMaze-Stitch, ChronoForest achieves 99.8%, 99.3%, and 99.5% success on the medium, large, and giant splits and improves giant-stitch success by up to 34.5 points over prior reported diffusion-based results. On Hamiltonian route-composition benchmarks, online re-solving corrects poor temporal orderings and improves route quality while remaining substantially cheaper than exhaustive planning.

Proving Shannon-type entropy inequalities is a fundamental task in information theory that often requires constructing non-trivial linear combinations of known constraints, which is a combinatorial search problem that scales poorly with the number of random variables. We investigate whether small-scale large language models (0.6B--1.7B parameters), fine-tuned on atomic proof steps and combined with guided beam search, can automate this process. On a held-out test set of 60 inequalities spanning n=10 to 15 variables, our 0.6B fine-tuned model achieves an 85% proof success rate with tree search. GPT-5.5 solves 1.7% samples under zero-shot prompting while Psitip solves 33.3% samples. A systematic ablation study across training context length (4096 vs.\ 8192 tokens) and data distribution (n=9-skewed vs not skewed) reveals that a 4096-token not skewed training distribution yields the best performance, with extended context and skewed data providing no marginal benefit. We further identify two dominant failure modes -- format failures and step quality degradation -- and verify that the beam-scoring heuristic is essential via a controlled ablation (random scoring reduces success from 83% to 23%).

Effective scheduling in the energy sector is essential to ensure the reliable operation of electrical grids and their connected assets by, for instance, optimizing the dispatch of generation units and storage systems. An effective planning strategy must (a) accommodate advanced and potentially non-linear system models -- exploiting the increasing data availability of modern grids, and (b) explicitly handle uncertainties arising, for instance, from the integration of renewable energy sources. While existing approaches can address either non-linearity (e.g., Monte Carlo Tree Search) or uncertainty (e.g., stochastic mathematical optimization), there is a lack of planning techniques capable of addressing both challenges simultaneously. To bridge this gap, we propose a Stochastic Scenario-Structured Tree Search (S3TS) algorithm that explicitly represents uncertainty through scenario trees while enabling the integration of advanced non-linear models. We evaluate S3TS on a simulated demand response signal publication problem, largely mimicking the imbalance settlement mechanism in Belgium. The results demonstrate near-optimal performance in linear, analytically tractable settings, with costs within 14% of the mathematically optimal solution conditioned to the scenario trees. In highly non-linear scenarios, S3TS significantly outperforms baseline methods, achieving cost reductions of up to 51% and 5.4% compared to a myopic algorithm and deterministic MCTS, respectively.

We study fixed-confidence best-action identification (BAI) in stochastic minimax trees. This problem is increasingly relevant in modern AI planning, where deep minimax search and Monte Carlo Tree Search (MCTS) with language model long rollouts face a fundamental tradeoff: heuristic evaluations are cheap but biased, while accurate rollouts are reliable but prohibitively expensive. We propose 2FFS, a two-fidelity tree-search algorithm that brings multi-fidelity flat bandit ideas into trees. The algorithm combines minimax-style fast expansion with MCTS-style stochastic sampling, adaptively deciding when to exploit cheap biased evaluations and when to invoke expensive accurate evaluations for local certification. We prove fixed-confidence correctness, establish finite stopping for exact identification, and give a polynomial-depth cost upper bound for general-depth trees. Across numerical stochastic-tree experiments, 2FFS uses substantially fewer samples and computational operations comparing to existing BAI-MCTS baseline.

Tree search is a central abstraction behind many language-agent reasoning and decision-making tasks: agents must explore actions, remember failures, and backtrack toward promising alternatives. Yet, we lack a theoretical understanding of how transformer-based policies acquire such search capabilities from the training dynamics of reinforcement learning (RL). We study this question in a stochastic $k$-ary tree environment, where an agentic transformer observes only its trajectory history through interaction and receives a terminal reward for reaching a hidden leaf goal node. We first construct a two-head transformer that implements randomized depth-first search (DFS): one head tracks previous actions, while the other detects failure outcomes and triggers backtracking. We then analyze the training dynamics of policy gradient under a depth-wise curriculum, showing that this same DFS mechanism emerges in stages from sparse reinforcement feedback without expert demonstrations. The resulting policy exhibits depth generalization: after training only on depth-$1$ and depth-$2$ trees, it succeeds on deeper full trees. We further show that, under imbalanced goal distributions, discounting the return leads to a ranked DFS policy that prioritizes higher-probability branches. Overall, our results identify a mechanistic normal form for transformer-based search, in which attention heads specialize and cooperate to extract decision-relevant traces from context and convert them into agentic action selection via RL training.

LLM-powered search agents enable multi-step reasoning and tool use. However, these capabilities introduce retrieval-induced safety degradation, as harmful intents may decompose into seemingly innocuous sub-queries that lead to unsafe outcomes. Existing alignment methods struggle to capture sparse safety signals and fail to supervise diverse violations across multi-step interactions. We propose COMPASS, a Cognitive MCTS-Guided Process Alignment framework designed to achieve robust safety alignment throughout the agent workflow while preserving general utility. COMPASS integrates cognitive tree exploration (CTE) to efficiently synthesize stealthy attack trajectories, and introspective step-wise alignment (ISA) to isolate risky intermediate actions for fine-grained process supervision. Empirical results show that COMPASS achieves a favorable safety-utility trade-off while requiring substantially less training data.

Subgoal-based policy tree search, which uses a policy to guide search, is effective for complex single-agent deterministic problems but often relies on explicit subgoal generation that can incur substantial overhead and hinders scalability. In this paper, we overcome these limitations by using a learned ``rerooter'' through the recently-introduced $\sqrt{\text{LTS}}$ algorithm. A rerooter implicitly decomposes the problem into soft subtasks. While previous work focused on the formal guarantees for given or handcrafted rerooters, in this work we propose three rerooter designs: (i) a clustering-based rerooter that exploits global state-space structure, (ii) a heuristic-based rerooter that leverages learned cost-to-go estimates, and (iii) a hybrid that combines both signals. Our framework avoids having to explicitly reconstruct and reason over generated subgoals, thereby enabling scalable allocation of search effort with significantly lower computational overhead. Empirically, our rerooting-based methods scale to complex environments where subgoal-based policy tree search fails, and achieve state-of-the-art online training efficiency on the domains tested.

Formal verification offers a path to provably correct software, but writing verified code remains expensive enough that the technique is rarely used in production. Recent large language models can accelerate this work, and recent benchmarks measure their ability to translate specifications into code and machine-checked proofs of correctness. This thesis evaluates the state of such LLM-driven verified-code generation ("vericoding") in Lean and develops search-based methods for improving verification performance. We first reproduce a subset of the vericoding-benchmark Lean leaderboard on a current cross-vendor model pool, finding that non-reasoning performance remains roughly steady on US closed-source models while open-weight models have slightly improved. We update the iterative methodology of vericoding-benchmark with an agentic loop equipped with mathlib search, finding that model performance greatly improves and scales with agent budget. GPT-5.4 nearly saturates the benchmark at 95.0% on 423 specs with $K=50$ LLM calls. We then design two agent-directed tree-search formulations: a state-based orchestrator that branches on partial-proof states, and a context-based orchestrator that branches on full subagent contexts. Compared against the agent baseline, the context-based design solves a wider range of intermediate-difficulty specs at lower token cost, while the agent baseline retains an advantage on the hardest specs, where uninterrupted iteration matters most. We conclude that search structure has selective advantages over a strong agent baseline, and that more challenging benchmarks drawn from modern code are important to measure and drive further progress in automated formal verification. Code available upon request by contacting the author at leoy@mit.edu.

Protein-protein interactions (PPIs) govern nearly all cellular processes, yet computational methods for identifying binding partners typically produce ranked predictions without mechanistic justification. This creates a fundamental barrier to adoption because biologists cannot assess whether predictions reflect genuine biochemical insight or spurious correlations. We present \textbf{Protein Thoughts}, a framework that reformulates PPI discovery as an interpretable search problem with explicit reasoning. The system decomposes binding evidence into four biologically meaningful signals: sequence similarity reflecting evolutionary relationships, structural complementarity capturing geometric fit, interface balance, and chemical compatibility encoding residue-level interactions. Rather than collapsing these signals into an opaque score, we preserve their individual contributions through a transparent value function that enables both ranking and auditing. To navigate large candidate spaces efficiently, we introduce hypothesis-guided entropy-regularized Tree-of-Thoughts search. A fine-tuned language model generates search directives from embedding-derived features, classifying candidates as high-priority, exploratory, or skippable. These directives condition a Boltzmann policy that balances exploitation with entropy-driven exploration, while hypothesis-aware pruning prevents premature abandonment of promising candidates. For candidates exhibiting score disagreement, hypothesis-conditioned embedding-space flow matching transports protein embeddings toward the binder manifold. On the SHS148k benchmark, Protein Thoughts achieves mean best-binder rank of 11.2 versus 47.7 for an entropic tree search baseline, a 76% improvement, and for binding prediction the trained value function achieves $91.08 \pm 0.19$ Micro-F1, outperforming existing PPI methods on the same dataset.

Combinatorial optimization (CO) underlies decision-making from logistics to chip design, where infeasible solutions are operationally unusable and small quality gains translate into substantial economic value. Recent work uses large language models (LLMs) to automate solver synthesis: generating executable solver programs from natural-language specifications. However, existing tree-search and evolutionary agents refine candidate trajectories in parallel without explicit knowledge transfer, reintroducing the same constraint violations and converging on similar algorithm families. We introduce MEMOIR, a memory-guided tree-search framework with a two-level memory hierarchy: branch-local memory preserves execution-grounded refinement details within a branch as it iterates on a single algorithmic design, while global memory stores compressed algorithmic and failure-mode summaries across branches. A reflection step at branch termination distills these summaries, enabling cross-branch transfer without polluting future contexts with low-level debugging traces. Across seven CO problems spanning scheduling, routing, packing, and geometric design, MEMOIR achieves 96.7% solution validity (a 9.2 point gap over the strongest baseline) and improves the average normalized score by 7.3 points at matched per-method execution budget. Over three independent runs on four problems, MEMOIR's run-to-run validity standard deviation is more than an order of magnitude below that of every baseline we evaluated in this setting, suggesting that memory-guided exploration yields consistent improvements rather than reflecting sampling variance.

AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which strategy choices drive performance remains unclear. Answering this question requires a benchmark that separates agent strategy (e.g., search topology) from execution infrastructure (e.g., code editor), so that performance differences are attributable to strategy rather than infrastructure, and that provides process-level metrics beyond final scores to analyze exploration behaviors. Existing benchmarks offer limited support. We propose FML-Bench, a benchmark of 18 fundamental ML research tasks across 10 domains that separates agent strategy from execution infrastructure and defines 12 process-level behavioral metrics. Evaluating six representative agents, we find that: (1) strategy complexity alone does not guarantee strong performance: a simple greedy hill-climber nearly matches the best-performing tree-search agent, both well above the remaining agents; (2) our analysis suggests this pattern relates to improvement opportunity structure: greedy search tends to be more effective when opportunities are dense, while tree-search and evolutionary strategies tend to be more effective when opportunities are sparse; an adaptive agent built on this insight switches to broader exploration upon detecting improvement stagnation and outperforms the other six agents, lending initial support to this observation; and (3) process-level analysis reveals that early convergence and directionally focused exploration are significantly associated with final performance, while solution diversity and compute cost are not. Our benchmark is available at: https://github.com/qrzou/FML-bench.

Probabilistic forecasting of infectious diseases is crucial for public health but relies on labor-intensive manual model curation by expert modeling teams. This bespoke development bottlenecks scalability to granular geographic resolutions or emerging pathogens. Here, we present an autonomous system using Large Language Model (LLM)-guided tree search to iteratively generate, evaluate, and optimize executable forecasting software. In a fully prospective, real-time evaluation during the 2025-2026 US respiratory season, the system autonomously discovered methodologically diverse models for influenza, COVID-19, and respiratory syncytial virus (RSV). Aggregating these machine-generated models yielded an ensemble that consistently matched or outperformed the gold-standard, human-curated Centers for Disease Control and Prevention (CDC) hub ensembles out-of-sample. The system successfully navigated data-scarce "cold start" scenarios for RSV. Moreover, controlled retrospective ablations revealed that optimizing log-scale distance metrics prevents reward hacking, while an automated judge-in-the-loop ensures structural fidelity to complex scientific theories. By autonomously translating epidemiological theory into accurate, transparent code, this framework overcomes the modeling labor bottleneck, enabling rapid deployment of expert-level disease forecasting at unprecedented scales.

We present a case study for how AI coding systems can be used to generate novel scientific hypotheses. We combine a generic coding agent (Google's AntiGravity) with an LLM-driven tree search algorithm (Empirical Research Assistance / ERA) to autonomously generate high-efficiency three-dimensional photovoltaic (3DPV) structures that overcome losses limiting flat solar panels at mid-latitudes. These structures operate by presenting favorable angles to the sun throughout the day, and for illustrative purposes we focus on optimizing performance for a single solar day. Our workflow begins by using AntiGravity to reproduce calculations \cite{bernardi2012solar} showing that 3DPV can have energy densities much higher than stationary flat PV panels. We use these initial designs as the starting point for large scale tree search, where we seek improved solutions and score them for their diurnal yield. The initial tree search leads to nominally more efficient solutions, yet they are caused by algorithmic reward hacking, arising from non-physical design features such as structurally levitating disconnected tiers and exploitations of the discretizations in the optics solver. To counteract this, we develop a workflow where the coding agent iteratively patches the physics engine with constraints to eliminate reward hacking. With reward-hacking eliminated, ERA discovers a series of designs with various constraints and improved performance, including optimal designs with different fixed collector areas, optimizing zenith tracking and avoiding self shadowing. Combining coding agents with tree search (ERA) provides a powerful platform for scientific discovery, for problems whose solutions can be empirically evaluated with a score function.

Text-to-SQL translates natural language questions into executable SQL queries, enabling intuitive database access for non-experts. While large language models achieve strong performance on Text-to-SQL with prompting, they still struggle with complex queries that involve deeply nested logic or multiple clauses. A widely used approach employs SQL skeletons--intermediate representations of query logic--to streamline generation, but existing methods are limited by their reliance on a single structural hypothesis and lack of progressive reasoning. To overcome these limitations, we propose LEAF-SQL, a novel framework that reframes skeleton prediction as a coarse-to-fine tree search process. LEAF-SQL enables systematic exploration of diverse structural hypotheses with adaptive refinement. Several key techniques are employed in LEAF-SQL: (1) a three-level skeleton hierarchy to guide the search, (2) a Skeleton Formulation Agent to generate diverse candidates, and (3) a Skeleton Evaluation Agent to efficiently prune the search space. This integrated design yields skeleton candidates that are both structurally diverse and granularity-adaptive, providing a stronger foundation for the SQL generation. Extensive experiments show that LEAF-SQL consistently improves the performance of various LLM backbones. On the official hidden test set of the challenging BIRD benchmark, our method achieves 71.6 execution accuracy, which outperforms leading search-based and skeleton-based methods, affirming its effectiveness for complex queries.

Large language models (LLMs), especially reasoning models, generate extended chain-of-thought (CoT) reasoning that often contains explicit deliberation over future outcomes. Yet whether this deliberation constitutes genuine planning, how it is structured, and what aspects of it drive performance remain poorly understood. In this work, we introduce a new method to characterize LLM planning by extracting and quantifying search trees from reasoning traces in the four-in-a-row board game. By fitting computational models on the extracted search trees, we characterize how plans are structured and how they influence move decisions. We find that LLMs' search is shallower than humans', and that performance is predicted by search breadth rather than depth. Most strikingly, although LLMs expand deep nodes in their traces, their move choices are best explained by a myopic model that ignores those nodes entirely. A causal intervention study where we selectively prune CoT paragraphs further suggests that move selection is driven predominantly by shallow rather than deep nodes. These patterns contrast with human planning, where performance is driven primarily by deep search. Together, our findings reveal a key difference between LLM and human planning: while human expertise is driven by deeper search, LLMs do not act on deep lookahead. This dissociation offers targeted guidance for aligning LLM and human planning. More broadly, our framework provides a generalizable approach for interpreting the structure of LLM planning across strategic domains.

We formalize Rollout Informativeness under a Fixed Budget (RIFB) as the expected non-vanishing policy-gradient mass that a tool-use rollout set injects into Group Relative Policy Optimization (GRPO). We prove that any budget-agnostic independent sampler suffers a collapse rate bounded away from zero for hard prompts regardless of the budget. Motivated by this, we recast intermediate state selection as a monotone submodular maximization problem, where a greedy one-step selector enjoys a 1 minus 1/e approximation guarantee. Our Uncertainty-aware Upper Confidence Bound (UUCB) terms arise as closed-form marginal gains of this objective. This turns the token-level entropy bonus from an empirical trick into an analytic consequence of the formulation. We present InfoTree, a training-time tree-search framework coupling UUCB with a learned Adaptive Budget Allocator (ABA) and an asynchronous Speculative Expansion scheme. ABA rescues prompts whose initial tree is wasted on uniform outcomes, lifting the mixed-outcome ratio from 58.1 percent to 76.3 percent with less than 5 percent budget overhead. Speculative Expansion reduces wall-clock overhead from 14.3 percent to 4.8 percent by tolerating bounded staleness in UUCB scores. Across nine benchmarks spanning math reasoning (AIME 2024 and 2025, MATH-500, OlympiadBench, USAMO), web-search agents (GAIA, HLE-100, BrowseComp-lite), and tool-rich coding and OS agents (APPS-verified, AgentBench-OS), InfoTree outperforms flat GRPO, DeepSearch, Tree-GRPO, AT2PO, CW-GRPO, and RC-GRPO. Head-to-head compositions with Tree-GRPO prefix sharing and CW-GRPO contribution weights deliver further gains, confirming that our selector operates orthogonally to rollout reuse and trajectory re-weighting. A 5 by 5 by 5 robustness grid reveals that over three quarters of the hyperparameter space lies on a performance plateau, confirming UUCB robustness.

Recent work on large language models (LLMs) has emphasized the importance of scaling inference compute. From this perspective, the state-of-the-art method Scattered Forest Search (SFS) has been proposed, employing Monte Carlo Tree Search with carefully crafted initial seeds and textual optimization for multi-turn program correction. However, its complexity makes it unclear what factors contribute to improvements in inference performance. To address this problem, we analyze SFS and propose a simpler method, \textsc{Iterative Refinement of Repair Instructions} (IRRI), which fixes initial programs and iteratively refines repair instructions. Because of the simplicity of IRRI, we theoretically establish the non-elimination of IRRI using Oracle-Guided Inductive Synthesis (OGIS). Experiments on several program generation benchmarks suggest that IRRI achieves inference performance comparable to state-of-the-art methods. These results indicate that, even without complex search structures, refining initial programs with high-quality repair instructions alone can effectively improve inference performance.

Monte-Carlo Tree Search (MCTS) is a fundamental sampling-based search algorithm widely used for online planning in sequential decision-making domains. Despite its success in driving recent advances in artificial intelligence, understanding the behavior of MCTS agents remains a challenge for both developers and users. This difficulty stems from the complex search trees produced through the simulation of numerous future states and their intricate relationships. A known weakness of standard MCTS is its reliance on highly selective tree construction, which may lead to the omission of crucial moves and a vulnerability to tactical traps. To resolve this, we incorporate shallow, full-width Minimax search into the rollout phase of multi-agent MCTS to enhance strategic depth. Furthermore, to demystify the resulting decision-making logic, we introduce \textsf{M2-PALE} (MCTS--Minimax Process-Aided Linguistic Explanations). This framework employs process mining techniques, specifically the Alpha Miner, iDHM, and Inductive Miner algorithms, to extract underlying behavioral workflows from agent execution traces. These process models are then synthesized by LLMs to generate human-readable causal and distal explanations. We demonstrate the efficacy of our approach in a small-scale checkers environment, establishing a scalable foundation for interpreting hybrid agents in increasingly complex strategic domains.

Reinforcement learning (RL) paradigms have demonstrated strong performance on reasoning-intensive tasks such as code generation. However, limited trajectory diversity often leads to diminishing returns, which constrains the achievable performance ceiling. Search-enhanced RL alleviates this issue by introducing structured exploration, which remains constrained by the single-agent policy priors. Meanwhile, leveraging multiple interacting policies can acquire more diverse exploratory signals, but existing approaches are typically decoupled from structured search. We propose \textbf{MARS$^2$} (Multi-Agent Reinforced Tree-Search Scaling), a unified RL framework in which multiple independently-optimized agents collaborate within a shared tree-structured search environment. MARS$^2$ models the search tree as a learnable multi-agent interaction environment, enabling heterogeneous agents to collaboratively generate and refine candidate solutions within a shared search topology. To support effective learning, we introduce a path-level group advantage formulation based on tree-consistent reward shaping, which facilitates effective credit assignment across complex search trajectories. Experiments on code generation benchmarks show that MARS$^2$ consistently improves performance across diverse model combinations and training settings, demonstrating the effectiveness of coupling multi-agent collaboration with tree search for enhancing reinforcement learning. Our code is publicly available at https://github.com/TsinghuaC3I/MARTI.

Tree-based speculative decoding accelerates autoregressive generation by verifying a branching tree of draft tokens in a single target-model forward pass. However, existing methods prioritize maximizing token-level likelihood or the number of accepted tokens while ignoring a critical ``efficiency paradox'': the computational overhead of drafting and verifying big trees can grow super-linearly, particularly at scale. This often leads to negative wall-clock speedup when batch sizes increase or hardware saturation limits are reached. To address this, we propose SMART, a system-aware marginal analysis framework for runtime tree construction. SMART reformulates tree expansion as a hardware-aware optimization problem that directly maximizes end-to-end speedup. By applying a principled marginal benefit--cost rule at inference time, SMART expands a node only when its marginal benefit--cost ratio exceeds the tree-level speedup. SMART is training-free and serves as a plug-and-play controller for existing frameworks like MSD and EAGLE. Extensive evaluations across three MLLMs (e.g., LLaVA, Qwen2-VL) and four LLMs (e.g., Llama-3.1, DeepSeek-R1) demonstrate that SMART consistently outperforms state-of-the-art baselines. It delivers an average additional speedup of 20.0% for MLLMs and 15.4% for LLMs across compute-bound batching regimes and diverse GPU architectures without performance loss.

Monte Carlo Tree Search is a cornerstone algorithm for online planning, and its root-parallel variant is widely used when wall clock time is limited but best performance is desired. In environments with continuous action spaces, how to best aggregate statistics from different threads is an important yet underexplored question. In this work, we introduce a method that uses Gaussian Process Regression to obtain value estimates for promising actions that were not trialed in the environment. We perform a systematic evaluation across 6 different domains, demonstrating that our approach outperforms existing aggregation strategies while requiring a modest increase in inference time.

Many robotic tasks, such as inverse kinematics, motion planning, and contact-rich manipulation, can be formulated as optimization problems. Solving these problems requires addressing inherent nonlinear kinematics, complex contact dynamics, long-horizon correlations, and multi-modal optimization landscapes, each posing distinct challenges for state-of-the-art optimizers. While existing methods tackle these issues through problem-specific strategies, such specialization inherently limits cross-task generalization, requires heavy engineering effort in problem reformulation, and hinders multi-task autonomy. Monte Carlo Tree Search (MCTS) offers a compelling framework that generalizes across diverse robotic tasks via strategic exploration of the solution space. However, it typically suffers from combinatorial complexity when applied naively, resulting in slow convergence and excessive storage space in high-dimensional domains. To address this limitation, we propose Tensor Train Tree Search (TTTS), which leverages tensor factorization to exploit implicit correlations among different branches within the decision tree. By utilizing the resulting compact, linear-complexity representation, TTTS significantly reduces both computation and storage overhead, thereby enabling highly efficient global decision making. Experimental results across inverse kinematics, motion planning around obstacles, legged robot manipulation, multi-stage motion planning, and bimanual whole-body manipulation demonstrate the efficiency of TTTS for generalized robot optimization over a diverse set of tasks.