Heuristics

Macro placement is a fundamental step in modern chip physical design, playing a crucial role in determining the solution quality of high-dimensional combinatorial optimization problems. Despite recent advancements in machine learning for spatial coordinate determination, the temporal dimension of placement sequencing remains largely governed by static heuristics. In this work, we demonstrate that the placement sequence is not merely a preprocessing step but a decisive factor in optimization, where suboptimal early decisions trigger irreversible domino effects that constrain the solution space. To harness this unexplored dimension, we propose \textbf{OrderPlace}, a proxy-guided LLM evolution framework for automatically discovering macro placement order strategies. Instead of relying on manually crafted heuristics such as area- or connectivity-based ordering, OrderPlace explores a broader space of code-level policies, ranging from static scoring metrics to dynamic physics-inspired mechanisms. To mitigate the prohibitive cost of evaluating sequences, we introduce a lightweight proxy evaluation mechanism that efficiently filters candidates using a deterministic greedy probe. Experimental results on the standard ISPD 2005 benchmarks demonstrate that OrderPlace discovers novel ordering strategies. Compared with WireMask-EA and the state-of-the-art method EGPlace, OrderPlace reduces wirelength by 34.04% and 14.08%, respectively.

Exploratory manipulation often turns an apparent failed attempt into the key evidence for what to do next. For example, a robot pulls a locked cabinet drawer, fails, and only succeeds after opening the lock. The failed pull reveals a latent precondition (the drawer is locked) that determines the minimal-success action chain (the fewest actions that complete the task), here [lock-open, drawer-pull]. Correctly reading this trace is therefore the prerequisite for recovering that chain. We formalize this setting as Exploratory Manipulation Trace QA (EMT-QA): given synchronized video and proprioception from an exploratory trace, predict the minimal-success action chain under the latent precondition revealed by the probe. However, even state-of-the-art VLMs and embodied multimodal LLMs misread this evidence: they do not reliably recover the chain from raw video, raw proprioception, or their combination. We introduce Closed-Loop Trace Distillation, a pipeline that uses a per-task coding agent to inspect labeled training traces and distill a one-line natural-language prompt over the trace, which we call the Distilled Reading Heuristic (DRH). At inference, no agent is invoked and no model weights are updated; a frozen VLM receives the raw trace plus the DRH as a prompt entry. Across three simulator and two real-robot tasks, the DRH improves chain accuracy by +0.38 to +0.47 over the best raw-modality baseline. The same DRH also serves as the sole specification for one-shot programmatic classifiers that match the prompted VLM.

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.

As the Model Context Protocol (MCP) standardizes tool-calling for autonomous agents, it introduces a critical, unexamined attack surface: the error-handling loop. We hypothesize that tool error messages possess implicit authority, triggering corrective reasoning modes that bypass standard safety heuristics. We introduce VATS (Vulnerability Analysis of Tool Streams), a mutation-driven framework that systematically evolves adversarial payloads across seven structural and linguistic dimensions. Our evaluation across four frontier models, Gemini 3.1 Pro, GPT-5.5, GLM-5.1, and Qwen3-Coder, demonstrates that error-path injection triples the success rate of standard indirect prompt injection (IPI), achieving up to 100% compliance in controlled evaluations. We isolate structural positioning (sandwiching instructions within error context) as the most effective exploit vector across all tested models. While we find that production framework guardrails can mitigate these vulnerabilities, the inherent susceptibility of the model layer poses a systemic risk to bespoke agentic workflows.

Large language models (LLMs) have shown promise in code summarization, yet their effectiveness for Hardware Description Languages (HDLs) like VHDL and Verilog remains underexplored. We propose ROSUM-MCTS, an LLM-guided approach inspired by Monte Carlo Tree Search (MCTS) that refines summaries through structured exploration and reinforcement-driven optimization. Our method integrates both local and global context via a hierarchical candidate expansion mechanism and optimizes summaries using a composite reward function balancing functional correctness (FC), local content adequacy (LCA), and fluency. We evaluate ROSUM-MCTS on the VHDL-eval and Verilog-eval datasets, demonstrating its consistent outperformance over baseline methods by leveraging structured bottom-up refinement and reinforcement-based optimization. Ablation studies confirm the necessity of both local and global expansion strategies, as well as the importance of balancing FC and LCA for optimal performance. Furthermore, ROSUM-MCTS proves robust against superficial modifications, such as variable renaming, maintaining summary quality where baselines degrade. These results establish ROSUM-MCTS as an effective and robust HDL summarization framework, paving the way for further research into reinforcement-enhanced code summarization.

Performative prediction studies feedback loops that arise when predictive models are deployed in consequential domains. In these settings, deploying a model can change the population whose patterns the model aims to predict, inducing a distribution shift that is endogenous to the learning system. This perspective departs from classical treatments of distribution shift, where shifts are typically modeled as exogenous changes in the data-generating process. Yet, in practice, distribution shift is rarely one or the other. Predictive models may influence future data through the decisions they support, while the world itself continues to drift for reasons beyond the learner's control. We study partially performative prediction, a framework that captures both endogenous and exogenous sources of distribution shift. The framework generalizes performative prediction by allowing the data distribution to evolve both in response to the deployed model and according to an external, time-varying process. We extend the central notions of performative stability and performative optimality to this setting by defining their online analogues that track the evolving partially performative environment. We analyze practical learning heuristics, including repeated retraining, and characterize when they successfully adapt to partially performative environments.

Multi-objective shortest-path (MOSP) algorithms traditionally rely on single-valued heuristics (SVHs), which associate each state with a single admissible cost vector. While SVHs provide safe lower bounds, they fail to capture the trade-off structure of the Pareto frontier and often yield weak search guidance. Multi-valued heuristics (MVHs) address this limitation by mapping states to sets of cost estimates, enabling a richer approximation of possible trade-offs. Modern MOSP algorithms are highly dependent on dimensionality reduction (DR) techniques to efficiently perform dominance checks. However, integrating MVHs with DR introduces subtle correctness challenges. We show that naively combining DR with MVHs destroys the ordering invariants required for DR, leading to unsound and incomplete search. To address this issue, we develop the first theoretical frameworks for safely integrating MVHs with DR. First, we introduce $\text{NAMOA}^*{\text{dr}\text{-}\text{mvh}}$, a theoretical baseline that restores search correctness by enforcing heuristic consistency. Recognizing the practical limitations of this approach, we then introduce our primary contribution, $\text{L}\text{-}\text{NAMOA}^*{\text{dr}\text{-}\text{mvh}}$. This algorithm employs a "lazy," optimistic approach to DR, preserving exact correctness with only an admissible MVH by dynamically detecting and repairing local ordering violations. Across a range of benchmarks, $\text{L}\text{-}\text{NAMOA}^*{\text{dr}\text{-}\text{mvh}}$ matches or improves over state-of-the-art MOSP algorithms, and achieves speedups of over 10x in instances where the additional guidance provided by the MVH translates into stronger pruning.

Information-theoretic acquisition functions such as Entropy Search (ES) offer a principled exploration-exploitation framework for Bayesian optimization (BO). However, their practical implementation relies on complicated and slow approximations, i.e., a Monte Carlo estimation of the information gain. This complexity can introduce numerical errors and requires specialized, hand-crafted implementations. We propose a two-stage amortization strategy that learns to approximate entropy search-based acquisition functions using Prior-data Fitted Networks (PFNs) in a single forward pass. A first PFN is trained to be conditioned on information about the optima; second, the $α$-PFN is trained to predict the expected information gain by training on information gains measured with the first PFN. The $α$-PFN offers a flexible learned approximation, which replaces the complex heuristic approximations with a single forward pass per candidate, enabling rapid and extensible acquisition evaluation. Empirically, our approach is competitive with state-of-the-art entropy search implementations on synthetic and real-world benchmarks, while accelerating the different entropy search variants across all our experiments, with speed ups over 50x. Source code: https://github.com/automl/AlphaPFN.

Heuristics play a central role in the performance of bidirectional search algorithms, which commonly rely on two main classes. Front-to-end (F2E) heuristics estimate the distance from a state s to the target of the search (the goal for forward search or the start for backward search). In contrast, front-to-front (F2F) heuristics estimate the distance from s to the opposite search frontier using a pairwise function h(s, s'), where s' ranges over frontier states. Although F2F heuristics are typically more informative and therefore reduce the number of node expansions, their reliance on extensive pairwise evaluations incurs substantial computational overhead. To address this limitation, we introduce a new heuristic class, front-to-attractors (F2A), that preserves much of the informativeness of F2F while dramatically reducing its computational cost. Rather than evaluating distances to all states on the opposite frontier, F2A estimates the distance from s to a small, dynamically maintained set of attractors in the opposite search direction. These attractors serve as a surrogate for the full frontier, enabling rich heuristic guidance at a fraction of the computational expense while maintaining the optimality guarantees offered by F2F. We evaluate F2A across multiple domains and show that it reduces the number of pairwise evaluations by up to 11.2x compared to F2F, while achieving 4.8x fewer node expansions than F2E on average.

Task planning often suffers from severe efficiency bottlenecks when robots must reason over long-horizon action sequences under complex logical constraints, including object affordances, spatial relationships, and sequential action dependencies. Recent neuro-symbolic methods improve planning efficiency by learning object-importance scores to prune task-irrelevant objects, but they typically rely on fixed offline supervision generated from full search spaces. This creates a train-test mismatch: at deployment, the planner operates in pruned search spaces induced by the model's own imperfect predictions, leading to exposure bias and degraded planning performance. To address this challenge, we formulate object-importance learning for task planning as an imperative learning-based bilevel optimization problem. The upper level optimizes a neural scorer, while the lower level solves a symbolic planning problem in the score-pruned search space. To stabilize this learning process, we introduce a 3R strategy into the lower-level planning, using parallel Repair, Restart, and Rollback recovery to provide reliable and adaptive feedback for upper-level learning. Experiments on three challenging benchmarks demonstrate state-of-the-art performance, including an 80.04% reduction in failure rate and a 57.14% reduction in planning time. We further validate the framework on a quadruped-based mobile manipulator in simulation and the real world, demonstrating its potential for efficient and deployable neuro-symbolic task planning.

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.

Persistent memory for an LLM agent is a write-heavy substrate: every belief update is a versioned write, and a new claim may contradict a stored one. Production systems use four resolution heuristics (last-writer-wins, evidence-weighted merge, await-confirmation, per-rule policy), yet none declares the isolation level it assumes or the write-time anomalies it admits. We show that contradiction resolution is write-time concurrency control and make the missing contract explicit. TOKI types the four heuristics as one family of bitemporal operators over a dual-row schema, each with an isolation precondition and a provenance annotation that preserves the losing fact in an audit row. Four soundness theorems close the contract across isolation, schema, and provenance, lift the guarantees to operator pipelines, and extend the fold operators to n-ary conflict sets. A tightness companion proves that, within the relational schedule model, keyed logging of the adjudicating judge is necessary for replay consistency, which every audited baseline omits. A verdict matrix over eight systems localizes the gap: every baseline that keeps a language-model judge on the write path admits at least one of three write-time anomalies (replay inconsistency, belief-drift skew, audit erasure); a content-addressed engine-layer comparator avoids them only by removing the judge, and TOKI alone excludes all three while keeping it. On its one natural-workload slice the audit-row defence moves LoCoMo by 0.86, and ablating the typed memory layer removes 0.49 accuracy on 1,444 answerable LoCoMo questions; the cross-system comparison stays underpowered and claims no superiority. The contribution is the contract: a write-time correctness specification, proved sound across isolation, schema, and provenance, pinning the guarantee every production heuristic assumes but no deployed system makes explicit.

Finding manifold structures in noisy and high-dimensional point clouds is a challenging but important problem. In astronomical observation survey and simulation data the detection of filaments, streams (1D), walls (2D) and clusters (3D) gives rise to deeper understanding of the evolution of our universe. The Locally Aligned Ant Technique (LAAT) uses biologically inspired agents to efficiently recover faint and multidimensional structures. However, very dense hubs (e.g. nodes or globular clusters) dominate the ants' activity, creating unnecessary computational overheads. In this paper we propose a two-stage solution. First a fast preprocessing step locates the hubs and replaces them with a tailored likelihood model. Subsequently, a mixed likelihood-pheromone strategy guides the ants to efficiently bridge the dense regions. We demonstrate improvements in detection efficiency and robustness of LAAT with synthetic and a large-scale astronomical N-body simulation of the cosmic web.

Large Vision-Language Models have achieved significant reasoning performance in various tasks. However, there are few studies on text-to-3D indoor scene generation with LVLMs. The main challenge is that prevailing LVLM-based methods employ chain-of-thought sequential decision mechanisms that cannot revise earlier decisions, causing error propagation. In this paper, we consider the task as a planning problem constrained by spatial and layout commonsense. To solve this problem, we model it as a tree search problem with global and local trees, which differs from existing sequential decision-making approaches. In the global tree, we place each object iteratively and explore multiple attempts like humans furnishing a room, where the problem space is represented as a tree. To effectively search the tree, we propose a hierarchical scene representation and a PRM-guided MCTS method. This representation abstracts a scene into room level, region level, floor object level, and supported object level. The PRM-guided MCTS method uses the PRM to prune unnecessary branches and the MCTS algorithm to balance exploration and exploitation to get an optimal solution with fewer attempts. In the local tree, it further decomposes the placement of each object into finer sub-steps, including the specific placement parameters. To make the whole appearance of the scene consistent, we leverage pre-trained diffusion image generative models to predict textures for all the objects in the scene. As existing benchmarks for text-to-3D indoor scene generation remain limited in scale and diversity, we collect a new large-scale diverse dataset that contains 65 scene types and 3250 instructions with diverse sizes, layouts, and styles, named 3DTindo-bench, to better assess the capability of the state-of-the-art models. Our experiments show that our method generates more realistic 3D scenes than state-of-the-art methods.

Bidirectional heuristic search can potentially reduce search effort for problems amenable to backward search. Therein, it is well-known that front-to-front heuristics can reduce the number of node expansions, but their overhead is so high that overall runtime almost always increases. We propose BiXDFBnB, a bidirectional depth-first branch-and-bound algorithm that adapts the Single-Frontier Bidirectional Search (SFBDS) framework - originally developed for shortest-path (MIN) problems - to the Generalized Longest Simple Path (GLSP) setting. Because SFBDS inherently operates on paired states, front-to-front (F2F) heuristic evaluation arises naturally and avoids the overhead typically associated with bidirectional frontier management. We show that this adaptation can be successfully applied to maximization (MAX) problems while efficiently handling overlapping constraints. BiXDFBnB is applied to several types of longest-path problems: Longest Simple Path (LSP), Snakes, and Coil-in-the-Box (CIB). Empirical evaluation shows that the new algorithm frequently reduces the number of node expansions and, in some cases, also improves overall runtime.

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%).

Autonomous software agents hold promise to increase developer productivity but make mistakes and exhibit novel failure modes, making human oversight central to successful human-agent collaboration. Existing research on agent oversight is largely conceptual; normative frameworks exist, but how users actually oversee agents is less known. In this paper, we bridge this gap by providing early empirical anchors for the theoretical discourse on agent oversight. Drawing on interviews with 17 experienced developers, we conduct an exploratory inquiry examining what forms of emergent oversight work developers perform, when, and how. We also document the oversight challenges developers face and the strategies they have started using to address them. We found at least four forms of emergent oversight work: a priori control, co-planning, real-time monitoring, and post hoc review. We show that oversight work is not only reactive and retrospective, as portrayed in existing research, but also preventative and proactive. We describe situated oversight challenges (e.g., difficulty reviewing agent-generated code) and outline heuristics developers adopt to address such challenges (e.g., using test results as guarantees for code correctness). We conclude with high-level takeaways, future research directions, implications for the human-centered design of software agents and for software engineering practice, and limitations of our research.

Finding optimal solution paths for combinatorial puzzles like the Rubik's Cube, sliding tile puzzles, and Lights Out remains a classical challenge in artificial intelligence. Heuristic search algorithms, such as A* , guarantee path optimality only when using an admissible heuristic-one that never overestimates the true remaining cost-to-go. Deep reinforcement learning (RL) methods like DeepCubeA train deep neural networks to approximate cost-to-go heuristics. However, standard mean-squared error (MSE) training regularly yields overestimations, violating admissibility and compromising solution optimality. In this paper, we introduce a generalizable framework for learning validation-calibrated admissible neural heuristics. We train a value network using an underestimating Admissible Bellman Operator combined with an Asymmetric Loss function to penalize overestimation. To account for residual neural function approximation errors, we propose a post-hoc calibration safety offset computed over validation scrambles. We demonstrate that our calibrated neural heuristics achieve no observed admissibility violations under the evaluation protocol and preserve path optimality in practice while reducing search node expansions by up to 83.0% on a 2 by 2 Rubik's Cube, 19.9% on a 3 by 3 Lights Out grid, and 1.9% on an 8-Puzzle compared to standard analytical baselines.

Admissible heuristics are essential for optimal planning, yet learning them remains challenging due to the risk of overestimation. Cost partitioning combines multiple abstraction heuristics while preserving admissibility, but computing optimal partitions online is expensive. We propose a framework that learns to infer admissible cost partitions by leveraging the Lagrangian dual equivalence between cost partitioning and multiplier prediction. Planning states and patterns are encoded as labelled graphs, and an action-centric variant of the Weisfeiler-Leman algorithm extracts structural feature vectors. A deep architecture with axial self-attention and a softmax output layer maps these features to cost weights that satisfy the partition constraints by construction, ensuring admissibility. Experiments demonstrate reduced node expansions compared to suboptimal partitioning baselines while maintaining strict admissibility. To our knowledge, this is the first machine-learned heuristic guaranteed to be admissible.

Approximate nearest neighbor (ANN) search has become a core primitive in information retrieval and modern machine learning tasks, from classification to retrieval-augmented generation. The community evaluates and tunes ANN algorithms primarily on their throughput at a given Recall@k, the fraction of true exact neighbors retrieved. We argue that what really matters in ANN search is the quality of the retrieved results and not their overlap with the true kNN set. We show that using Recall@k to assess retrieval quality forces unnecessary computational overhead and investigate replacing it by 1/Ratio@k, the inverse approximation ratio. 1/Ratio@k evaluates the differences between the distances of the retrieved and true neighbors. It is judge-free, hyperparameter-free, and computable from standard ANN benchmark inputs alone. We benchmark state-of-the-art ANN algorithms across diverse datasets spanning a wide range of intrinsic dimensionalities, evaluating the two metrics comprehensively across efficiency, downstream classification, and retrieval-augmented generation. On the efficiency axis, optimizing for 1/Ratio@k reaches operational quality thresholds at a substantially lower computational cost than Recall@k. In downstream tasks, performance indicators (label precision, semantic similarity, BERTScore, and LLM-graded quality) remain highly stable even when Recall@k drops significantly. The inverse approximation ratio, on the other hand, closely mirrors this stability, tracking true utility much better than Recall@k. Ultimately, while Recall@k overstates the true cost of approximation, 1/Ratio@k offers a more accurate, deployable proxy for actual ANN quality.

Efficient multimodal foundation models often rely on manually designed token-reduction operators, such as pruning, merging, pooling, and adaptive reweighting. Although these operators appear different, we show that they can be interpreted as distinct regimes of a shared operator space. Based on this view, we introduce Efficient Operator Search, a differentiable framework that jointly searches where to reduce tokens, how many tokens to retain, and how reduced token information should be processed. The proposed search space parameterizes layer activation, retention budget, and operator behavior, while the search policy optimizes task performance under one-sided budget and cost constraints. This formulation recovers representative hand-designed baselines as special cases and further discovers hybrid operators beyond isolated manual designs. Experiments on multimodal benchmarks show that the searched operators achieve competitive accuracy-efficiency trade-offs, especially under aggressive visual-token reduction. These results suggest that efficient multimodal inference can be reframed from manual operator design to differentiable operator search.

Quantities with measurement units, such as 110 cm and 1.2 m, require language models (LMs) to combine a numeral with a symbolic unit scale. Here, we study how LMs compare such quantities in controlled settings spanning several unit systems. We find that accuracy degrades near the comparison boundary, where small changes in value determine the correct answer. The resulting errors are systematic: linear surrogate models predict LM preferences from numerical-difference and unit-scale-difference cues, and causal interventions on subspaces aligned with these variables shift model's output. The results suggest that LMs compare quantities through a bag of heuristics over numerals and units, rather than first converting both expressions to an exact shared-scale representation.

Informed sampling techniques accelerate sampling-based motion planners by focusing the search on promising regions of the state space, yet most existing methods rely on Euclidean heuristics that become inadmissible under configuration-dependent Riemannian metrics. While scalar eigenvalue bounds restore admissibility by uniformly scaling the Euclidean distance, they discard the directional structure of the metric, producing overly conservative informed sets. We propose a matrix-valued admissible heuristic that exploits the Loewner order on symmetric positive definite matrices to compute the tightest constant lower bound on the metric tensor while preserving its full directional structure. The Cholesky factorization of this bound defines a linear map to an isotropic Euclidean space in which the Riemannian informed set reduces to a standard prolate hyperspheroid, enabling direct, rejection-free sampling using existing algorithms. Experiments on manipulation tasks with a 6-DoF UR5, 7-DoF Franka, and 14-DoF PR2 under three distinct Riemannian metrics show that our heuristic produces consistently tighter informed sets than both the Euclidean and scalar eigenvalue bounds, accelerating convergence across multiple state-of-the-art asymptotically optimal planners.

AI-Driven Research Systems (ADRS) -- systems coupling LLMs with automated evaluation to discover algorithms, proofs, and designs -- are being optimized and adopted across domains, but the tools to analyze them have not kept pace. ADRS performance depends on component interactions that are poorly understood, expensive to explore, and (as we show) not well captured by standard convergence guarantees. These guarantees rely on structural assumptions that do not hold under the ADRS process we formalize. We introduce GAMBLe, a framework that decomposes ADRS behavior into four parameters (generator $G$, assessor $\mathcal{A}$, discovery mechanism $\mathcal{M}$, budget $B$) and one compositional object, the effective landscape $L_{\text{eff}} = \mathcal{A} \circ G$, which reveals that distinct generator-assessor pairs induce structurally different per-problem optimization landscapes. We exercise the framework on 760+ replicated runs (>46,000 iterations) spanning generators from single LLMs to dynamically-adaptive ensembles, mechanisms from greedy selection to co-evolutionary meta-search, and three NP-hard problems whose assessors range from continuous scoring to cliff functions. The experiments reveal no total ordering of generators or mechanisms: frontier models can underperform open-source alternatives and the simplest mechanism sometimes outperforms state-of-the-art meta-search. Results show that even under limited budgets (60 iterations per run), the right component choices can improve performance by 13-67% and search efficiency by 6-39x.

Learned heuristics have recently become a competitive alternative to traditional domain-independent heuristics for satisficing planning. Existing approaches, however, focus on improving search guidance rather than guaranteeing admissibility, which makes them unsuitable for optimal classical planning. We present the first method for learning domain-dependent heuristics that are admissible by design and thus preserve the optimality guarantees of A* search. Instead of learning a direct mapping from states to heuristic values, we learn to construct abstractions that induce admissible heuristics. We use an LLM-driven evolutionary program-synthesis framework to obtain, for each domain, a program that produces a pattern collection for any task in that domain, and we combine the resulting patterns admissibly via saturated cost partitioning. Empirically, the learned programs encode interpretable domain-specific insights, run with negligible overhead at test time and yield heuristics that match the coverage of state-of-the-art domain-independent baselines on several domains while evaluating each state substantially faster.

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 show that the Vehicle Routing Problem (VRP) can be reformulated as a Graph Edit Distance (GED) maximization problem. Under a simple edge-deletion cost model, minimizing total route cost is equivalent to maximizing the total weight of edges deleted from the complete instance graph. This formulation models VRP at the edge level, where solutions are defined by selected edges rather than route sequences, enabling structural analyses that are difficult in classical formulations: per-edge attribution of solution quality, decomposition of the optimality gap, characterization of solution sparsity, and identification of edges that are hard to reach by greedy construction. Theoretically, we establish a merge-decomposition theorem showing that Clarke-Wright savings equal per-merge GED increments, and an approximation-transfer theorem that turns GED approximation ratios into VRP cost bounds. Using this reformulation, we analyze 90 CVRP benchmark instances with known optimal solutions. We find that optimal routing graphs use only 5.5% of available edges, that approximately 3.0% of optimal edges are consistently not found by Clarke-Wright heuristics under repeated restarts, and that the cost gap decomposes into missed optimal edges and substituted non-optimal edges of comparable total weight. The edge-additive objective provides a natural per-edge supervision signal for future graph neural network approaches to edge prediction, suggesting a potential connection to graph neural network approaches that we leave for follow-up work.

Many difficult search problems cannot be solved by algorithms such as A* using only RAM. Search algorithms which use external memory such as SSDs and HDDs with much higher capacity than RAM have been proposed in previous work, but previous work has focused on delayed duplicate detection approaches, as well as complex immediate duplicate detection (IDD) methods, and relatively simple methods for IDD have not been systematically studied. In addition, the effect of OS-level mechanisms for managing and speeding up accesses to external memory, such as page caches, has not been studied. This paper addresses these gaps in the literature by evaluating and analyzing the performance of simple baseline approaches for IDD-based A*.

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.

Deploying Large Language Models (LLMs) in practice incurs substantial memory and computational costs. Post-training pruning (PTP) is an effective approach to reducing these costs by removing weights without additional training. Among existing methods, RIA introduces relative importance scores normalized by row and column sums, achieving state-of-the-art accuracy. However, RIA considers only 1D cross-shaped (row/column) directional information and assigns equal weight to row and column contributions. In this paper, we propose \textbf{CRePE}, which incorporates 2D local neighborhood context and adaptive coefficients into Relative Importance scoring. CRePE consistently outperforms existing PTP methods across diverse models and sparsity settings. However, identifying optimal adaptive coefficients via perplexity (PPL)-based hill climbing requires numerous PPL evaluations and approximately 11 hours of search time. To address this, we propose \textbf{PHO} (Proxy-based Hyperparameter Optimization), which eliminates the need for repeated PPL measurements and reduces the search time to approximately 20 minutes. Furthermore, the optimal hyperparameter configuration found by PHO on one model transfers well to other models, demonstrating strong generalization. Finally, we verify that CRePE can be orthogonally combined with existing techniques including Channel Permutation, non-uniform sparsity allocation, and re-pruning methods.

Autonomous target search is crucial for deploying Micro Aerial Vehicles (MAVs) in emergency response and rescue missions. Existing approaches either focus on 2D semantic navigation in structured environments -- which is less effective in complex 3D settings, or on robotic exploration in cluttered spaces -- which often lacks the semantic reasoning needed for efficient target search. This paper overcomes these limitations by proposing a novel framework that utilizes a semantically-guided viewpoint planner to minimize target search and exploration time in unstructured 3D environments using an MAV. Specifically, we develop a combinatorial planner that generates efficient semantic exploration plans by prioritizing viewpoints that likely lead to the target. To guide the planner towards the target, an active perception pipeline is developed that propagates semantic priorities of observed objects into neighboring frontier voxels for computing semantic information gains of frontier viewpoints. In addition, we demonstrate how LLM-based similarity scores can be leveraged as semantic priority input to our pipeline. Evaluations in two distinct simulation environments show that the proposed method consistently outperforms baselines by quickly finding the target while maintaining reasonable exploration times. Real-world experiments with an MAV further demonstrate the method's ability to handle practical constraints like limited battery life, small sensor range, and semantic uncertainty.

Large language models (LLMs) often solve reasoning problems by generating intermediate traces that explore and revise partial solutions. From a search perspective, these traces can be viewed as linearized search trees, where the model extends a partial solution, abandons it when it fails, and backtracks to try alternatives. Compared with traditional heuristic-guided search, such a policy has a potential advantage: it conditions on the whole search trace rather than only on the current local state. We first test whether LLMs utilize this advantage by comparing trace-conditioned reasoning policies against best-first search equipped with an LLM heuristic that only observes the current local state. Across three controlled reasoning environments, Blocks World, grid Navigation, and Sokoban, we find that raw access to search history alone is not enough to reliably outperform heuristic search. We then study one possible reason: in LLM reasoning traces, the underlying search tree is only implicitly represented, and when the model backtracks or switches branches, the trace does not explicitly identify which earlier search state is being revisited. We show that adding simple parent pointers to explicitly represent the linearized tree (LinTree) structure improves both task performance and search efficiency relative to implicit reasoning models and LLM-heuristic-guided search. These results suggest that search history becomes most useful when its tree structure is made explicit, motivating more structure-aware representations for LLM reasoning.

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.

Combinatorial and optimization problems are fundamental to many industrial AI applications. Solving large-scale real-world instances of such problems typically requires careful problem formalization, specialized solvers, and expert-designed heuristics. Thus, experts need to specify not only what solutions are, but also how they are derived. By introducing the tool CHECKMATE, we show that algorithm generation via code evolution represents a paradigm shift by eliminating the need to formulate the how. CHECKMATE solely relies on the what. Specifically, a formal specification ensures solutions' correctness and enables systematic performance evaluation of the generated programs, while a natural language description guides the evolutionary process. The effectiveness of our method is demonstrated on selected problems from two industrial domains: configuration and scheduling. In all cases, the evolved algorithms consistently outperform state-of-the-art solvers. This underscores the potential of formal methods in guiding code evolution for automatically solving complex real-world problems.

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.

We focus on the problem of efficient anytime kinodynamic planning for systems with complex dynamics in unstructured environments that make precomputing motion primitives infeasible. Directly applying A* to such problems is computationally infeasible due to the curse of dimensionality. Methods such as Hybrid A* addressed this burden by discretizing the state space, but in turn creating a coupling between tree discovery and the discretization resolution. The Incremental Generalized Hybrid A* (IGHA*) performs search over a hierarchy of resolutions in an anytime fashion to break this coupling, by freezing vertices to use in later search iterations rather than pruning them. However, the frozen vertices can hide solution-supporting vertices from the search at a particular iteration. While classical bidirectional search is motivated by the reduction of search depth, extending IGHA* into the bidirectional setting (termed Bi-IGHA*) obtains additional benefit by fundamentally mitigating the behaviour induced by frozen vertices hiding solutions. We show that Bi-IGHA* preserves IGHA*'s guarantees on monotonic cost improvement and termination. We empirically show that Bi-IGHA* substantially reduces expansions on R3, R4, and R6 planning problems, and achieves equivalent closed-loop performance with kinodynamic planning for high-speed off-road autonomy while requiring significantly fewer expansions. Website: https://personalrobotics.github.io/IGHAStar/biighastar.html

We introduce TriSearch, a reinforcement learning framework for optimizing objectives over triangulations of a polytope via bistellar flips. The key idea is a circuit-supported subtriangulation action representation: feasible flips are encoded by their supporting circuit and realized local subtriangulation, enabling a learned policy to rank them using local geometric and combinatorial features. This yields a dimension-agnostic interface and enables efficient traversal of the flip graph without explicit enumeration of the full triangulation space. Instantiated in 3D and 4D, TriSearch generalizes zero-shot from small training instances to larger polytopes with exponentially larger search spaces. It achieves top performance on metric objectives in 3D and, in 4D, discovers more distinct Fine, Regular, Star triangulations of reflexive polytopes, corresponding to Calabi-Yau threefolds, than existing samplers under a fixed budget.

Standard Set Representation Learning methods typically excel on curated data but often overlook the challenge of inference-time element corruption. This refers to scenarios where deployed models encounter element-level degradations, such as outliers or missing components, that may distort set representation and degrade performance. We propose SW-DRSO, a distributionally robust optimization framework tailored for sets. Rather than minimizing loss solely on observed training data, SW-DRSO optimizes a tractable surrogate of the worst-case expected loss over a family of plausible inference-time variations. We introduce a barycentric adversary that approximates the intractable search over corrupted sets by a differentiable training-time optimization over simplex weights. Extensive experiments across four tasks demonstrate that SW-DRSO effectively enhances robustness against corruption while maintaining high overall performance.

Retrieval-augmented generation (RAG) systems expose numerous design choices spanning query rewriting, chunking, retrieval depth, reranking, and context compression. In practice, these choices are often configured through heuristics, hindering systematic evaluation and reproducibility across settings. We argue that this challenge is best formulated as RAG architecture search. To support controlled and reproducible study of this problem, we introduce the RAG Intelligence Search Engine (RAISE), a comprehensive framework and benchmark for RAG hyperparameter optimization, which evaluates optimization methods for RAG pipelines under standardized search spaces and budgets. RAISE implements 13 search algorithms and evaluates them across seven public text and multimodal datasets using three random seeds. Our experiments show that optimization performance is highly task-dependent: methods that perform strongly on one dataset may not generalize consistently across others, cautioning against interpreting aggregate rankings as evidence of universally superior strategies. RAISE provides a common experimental substrate for fair, reproducible, and systematic research on RAG hyperparameter optimization.

The Random Gradient hyper-heuristic was recently shown to be able to learn the optimal neighbourhood size when optimizing the LeadingOnes benchmark via the Randomised Local Search (RLS) meta-heuristic. However, for this to happen, a learning period of a certain length $τ$ had to be used, differently from classic hyper-heuristics, which change their behaviour based on the success of only the previous iteration. In this paper, we show how to automatically set this new parameter value, relieving the user from the non-trivial task of controlling this novel algorithm parameter. We prove that the resulting hyper-heuristic selects the optimal neighbourhood size in a $1-o(1)$ fraction of the iterations and, consequently, optimises the LeadingOnes benchmark in the best possible time (apart from lower-order terms) achievable with these neighborhood sizes.

Heuristic search is the dominant paradigm in symbolic AI planning, and the strongest heuristics are the result of decades of work by planning researchers. Recent work has shown that large language models (LLMs) can design heuristics for individual planning domains, but no LLM-generated heuristic has so far worked on arbitrary planning tasks. In this paper, we use evolutionary search to produce the first LLM-generated domain-independent heuristics that exceed the hand-engineered state of the art. We let an LLM mutate parent heuristics written in C++, store candidates in a MAP-Elites archive keyed on informedness and speed and calculate fitness scores by blending coverage with solving time. To place the evolved programs in context, we additionally benchmark a broad set of hand-engineered heuristics on their informedness-speed tradeoff, which to our knowledge has not been done before. On unseen testing domains, our best evolved heuristic solves more tasks than even the strongest baseline, with our full heuristic suite spanning the Pareto frontier of said tradeoff. We also find that seeding evolution from the trivial blind heuristic outperforms seeding from the strong FF heuristic, even when the resulting program is itself an FF variant, and that LLM reasoning effort affects how often candidates compile much more than the quality of those that do. Because the evolved programs are plain C++, they slot into existing planners as drop-in replacements and inherit the soundness and completeness guarantees of the underlying search.

Sequential filtering pipelines are a common design pattern in large-scale systems, where a large population of items is progressively reduced by a sequence of stages that each incur cost. Despite their prevalence in ranking systems, cascaded machine learning inference, and fraud detection, filter ordering is often determined by heuristics without formal guarantees. We formalize sequential filtering under an expected-cost objective and prove that, under an independence model, ordering filters by increasing ratio of cost to rejection probability minimizes expected total cost. Extensive Monte Carlo simulations show that the optimal ordering strictly dominates common heuristics across all runs, both in expectation and across the full distribution of outcomes.

Swarm and field robotics face significant barriers to real-world validation due to the high cost and development time to deploy hardware. This paper introduces the Bionic Swarm,'' a novel system that lowers these barriers by abstracting away many of the tasks that are difficult to implement on robots but which do not contribute to the overall algorithm evaluation, giving these tasks to human users. These human users take directions from a smartphone web-app that takes measurements from Bluetooth-connected sensors and relays them to a centralized server. This server runs the swarm algorithm and directs actions to the human users. We evaluate this system through the experimental validation of a geotechnically-focused search algorithm named Score-Biased-Search, which functions by assigning a score'' to each location on a reconstructed map, then biases search patterns through areas of higher expected scores, and which exhibits superlinear map reconstruction relative to the number of search agents. After presenting simulation results for the algorithm, we then apply the algorithm on the Bionic Swarm platform to validate its function in a real-world, outdoor setting. This work demonstrates that this human-in-the-loop approach significantly lowers the barrier to entry for field and swarm robotics research.

Designing a transit network requires many sequential route extension decisions, but their quality is often visible only after the full network is assembled. This delayed-feedback challenge lies at the heart of the Transit Route Network Design Problem (TRNDP), where route interactions can be deceptive: an extension that appears useful locally can create transfer bottlenecks, produce redundant overlap, or reduce overall throughput. To guide route construction under delayed simulator feedback, we introduce AlphaTransit, a search-based planning framework for cityscale bus network design. AlphaTransit couples Monte Carlo Tree Search (MCTS) with a neural policy-value network: the policy proposes route extensions, the value estimates downstream design quality, and search uses these predictions to refine each decision. This provides decision-time lookahead during route construction without running simulator rollouts inside the search tree. We evaluate AlphaTransit on a new Bloomington TRNDP benchmark with realistic road topology and censusderived demand, under mixed and full transit demand settings. In the Bloomington network, AlphaTransit attains the highest service rate in both demand settings, reaching 54.6% and 82.1%, respectively. Relative to reinforcement learning without search, these correspond to 9.9% and 11.4% service rate gains; relative to MCTS without learned guidance, they correspond to 2.5% and 11.2% gains. These results suggest that coupling learned guidance with MCTS is more effective than using either approach alone for transit network design. Our code and data are publicly available in https://github.com/poudel-bibek/AlphaTransit.

Large Language Models (LLMs) have demonstrated remarkable reasoning capabilities, yet their standard generation process -- auto-regressive token prediction -- is inherently myopic and prone to cascading errors. To address this, the Tree-of-Thoughts (ToT) framework creates a search space over intermediate reasoning steps, allowing search models to explore, look ahead, and backtrack. However, current ToT research remains fragmented across Natural Language Processing and Automated Planning communities, often using inconsistent terminology and ad-hoc implementations. Consequently, we synthesize the ToT landscape through a unified taxonomy based on classical heuristic search terminology. We map LLM-based reasoning to classical search components: state representation (granularity of thoughts), successor generation (prompting operators), and heuristic evaluation (self-assessment of progress). We analyze existing work within the context of our taxonomy and identify emerging design patterns: systematic search (Best-First Search) for shallow, deterministic tasks and lookahead-heavy strategies (DFS, MCTS) for deep multi-step reasoning. We conclude by identifying open algorithmic challenges at the intersection of heuristic search and LLM reasoning, and call on the heuristic search community to engage with this emerging domain.

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.

CART random forests are among the most widely used modern predictive methods, with well-documented empirical success. Yet, at the mechanistic level, the algorithm is often treated as a black box because of its complexity. In this paper, we develop a stochastic-control perspective on feature-subsampled CART random forests, named CART random opportunity-set allocation (CART-ROSA). At each node, the random subset of features is interpreted as a random feasible action set, and the CART split rule as a masked-action allocation policy. This policy induces a controlled stochastic process over informative split-count states, whose terminal law determines both single-tree error and cross-tree interaction terms in the forest mean squared error (MSE). Such representation opens the black box of CART-forests by separating two design levers: the informative-opportunity rate induced by feature subsampling, and the contraction strength from the within-mask split policy. We establish that the CART policy is locally stabilizing: it contracts imbalances in informative split allocations and concentrates terminal tree geometry. At the system level, however, it can be globally suboptimal for the forest objective. Specializing to the linear model, we derive the MSE risk expansion explicitly. Our results show how an operations-research perspective makes tractable a theoretical gap difficult to access from the standard algorithmic description of CART forests.

Mechanistic interpretability seeks to explain a model's behaviour by finding its circuit: the sparse subgraph of the model's computation that is causally responsible for it. Automated methods have made this search systematic, but each one starts afresh for every behaviour, and the effort spent finding one circuit does nothing for the next. Circuit discovery has thus been automated, but not amortised. We ask whether circuit discovery can itself be learned. We frame it as a sequential decision problem over the computation graph of GPT-2 small, in which a policy removes edges until it reaches a compact subgraph that preserves the behaviour, guided by a faithfulness reward defined through causal intervention. A single policy trained across twelve behaviours recovers a faithful circuit for each, and once frozen it transfers to behaviours it never saw during training, recovering their known circuits without further search. A short warm-start improves these transferred circuits, returning far smaller ones than training from scratch. While the learned policy does not match a per-behaviour search on circuit size or cost, it shows that circuit discovery is a learnable, transferable procedure rather than a search repeated for every behaviour.

RNA design consists of discovering a nucleotide sequence that optimizes predefined criteria, such as secondary structure. It is useful for synthetic biology, medicine, and nanotechnology. We propose Montparnasse, a Monte Carlo search framework based on Generalized Nested Rollout Policy Adaptation, augmented with a problem-specific prior, slow and long adaptation at level 1, and a lexicographic multicriteria evaluation. Montparnasse solves all 100 puzzles of the Eterna100 V1 benchmark consistently faster than DesiRNA, the previous state of the art, across all time limits, reaching full coverage more than three times faster overall. On messenger RNA secondary structure optimization for hemoglobin alpha, it identifies sequences with more paired bases than the MFE-optimal solution of LinearDesign.

Combinatorial generalization remains a central challenge in Deep Reinforcement Learning (DRL). Classical planning provides a simple yet challenging setting to study this problem through explicit relational descriptions, without requiring learning from perception. In sparse-reward domains, standard RL exploration via real-time search is ineffective, and learning-based planning methods often rely on expert demonstrations, hindsight relabeling, or random walks from the goal state. In contrast, planners rely on best-first search methods such as $\mathrm{A}^\star$ to solve problems from scratch. We propose a self-improving $\mathrm{WA}^\star$ learning framework in combination with a value heuristic represented by a Relational Graph Neural Network: the heuristic guides search, and the resulting search data updates the heuristic via $Q$-learning. This loop yields heuristics that can function as general policies and solve new instances even without search, where DRL otherwise fails, as we show on puzzles such as Sokoban, PushWorld, The Witness, and the 2023 International Planning Competition benchmarks. Notably, we demonstrate strong zero-shot generalization: For example, heuristics trained on Blocksworld instances with fewer than 30 blocks successfully solve instances with 488 blocks without search.

Automated theorem proving systems built on Lean 4 increasingly rely on parallel tactic search over partially specified proofs, such as those generated by Draft-Sketch-Prove (DSP) pipelines. In current systems, each search branch reconstructs a proof state by re-running elaboration, leading to substantial per-branch overhead. In Lean 4 with Mathlib, this cost has two components: (1) import loading, which deserializes pre-compiled libraries (~60 s per branch); and (2) theorem-body elaboration, which re-checks the theorem context up to the target goal (estimated 18-735 s depending on proof complexity). Together, these account for >99% of per-branch wall time, making portfolio-based search impractical at scale. We observe that this overhead arises from a mismatch between the structure of proof search and its execution model: branching is implemented via repeated reconstruction of proof states rather than direct reuse. To address this, we introduce proof-state snapshotting, which captures the elaborated proof state once and reuses it across branches via a small extension to the Lean 4 language server. Across 48 miniF2F-v2 problems (45 prove-phase benchmarks and 3 full end-to-end runs), our approach achieves a 5.6-50x wall-time speedup over the standard fallback (average 14x, median 9.7x). Speedup increases with the number of proof branches. Our method is orthogonal to import-level caching (e.g., Kimina Lean Server), which avoids import loading but not theorem-body elaboration. The patched Lean binary and the Snapshot-DSP pipeline will be released as open source upon publication.

Imperfect-information games (IIGs) are challenging, as players must make decisions without fully observing the true game state. While AlphaZero has achieved remarkable success in perfect-information games, extending it to IIGs remains difficult. Existing search-based approaches, such as Perfect Information Monte Carlo (PIMC), suffer from strategy fusion, while Information Set Monte Carlo Tree Search (IS-MCTS) incurs high computational cost when combined with neural networks. In this paper, we propose Multi-State Aggregated PoLicy Evaluation (MAPLE), a tree search method that aggregates policy and value evaluations from multiple sampled world states within a single search tree, combining the advantages of PIMC and IS-MCTS while maintaining a controllable computational cost. We further incorporate a Siamese-based sampling strategy to select informative world states from the information set. Experiments on Phantom Go and Dark Hex show that MAPLE significantly outperforms the PIMC-based AlphaZero baseline, achieving Elo improvements of 291 and 136, respectively. These results demonstrate that MAPLE is an effective approach for AlphaZero-style learning in imperfect-information games.

Shapley additive explanations (SHAP) are widely recognised as computationally intractable for neural networks, since they induce an exponential search space over the input features. In this work, we take a first step towards scaling exact SHAP computation to larger search spaces by introducing an algorithm that leverages recent advances in neural network verification to compute arbitrarily tight exact lower and upper bounds on SHAP values for neural networks, ultimately recovering the exact SHAP values. We demonstrate that our approach scales to orders of magnitude larger search spaces than state-of-the-art exact methods. This provides an important first step towards exact SHAP computation and establishes a principled cornerstone for evaluating statistical approximation methods on larger search spaces.

A fundamental challenge in multi-robot motion planning is achieving sufficient coordination to avoid inter-robot conflicts without incurring the large computational expense of searching the joint configuration space of the robot group. In this work, we present a method for multiple mobile robot motion planning that achieves an improvement in planning time up to an order of magnitude by leveraging the insight that we can use discrete search over a workspace decomposition to provide coordination between robots during planning. While prior work uses workspace topology to inform when coordination between robots is needed and then composes robots into their joint configuration space, we take a step further by iteratively refining our workspace representation to allow our planner to search smaller, decoupled configuration spaces.

Counterfactual Regret Minimization (CFR) is the dominant algorithmic family for solving large imperfect-information games, underpinning breakthroughs such as Libratus and Pluribus in No-Limit Texas Hold'em poker. In real-time game-playing systems, the solver must compute a near-equilibrium strategy within a strict time budget of only a few seconds per decision, and the number of CFR iterations completed in this window directly determines play strength. We present \textbf{Parallel CFR}, the first parallelization framework for real-time depth-limited CFR solving that seamlessly integrates pruning, abstraction, and advanced CFR variants. We decompose each CFR iteration into a pipeline of seven stages and identify two orthogonal dimensions of parallelism: \emph{by information set} and \emph{by tree node}. Leaf node evaluation is offloaded to GPUs via batched neural network inference, creating a heterogeneous CPU--GPU pipeline. Experiments on Heads-Up No-Limit Texas Hold'em demonstrate that Parallel CFR achieves $3.3$--$3.4\times$ speedup over the single-threaded baseline on postflop streets, with per-iteration time of ${\sim}47$--$54$~ms on a depth-limited game tree with over $1$ billion histories. All experiments run on a single desktop-class device (NVIDIA DGX Spark), enabling hundreds of CFR iterations within a typical real-time decision budget without requiring datacenter-scale infrastructure.

Applying local search algorithms to combinatorial optimization problems is not an easy feat. Typically, human intervention is required to compile the constraints to input data for some metaheuristic algorithm. In this paper, we establish a link between symmetry properties of constraint optimization problems and local search neighborhoods, and we use this link to automatically generate neighborhoods from a constraint specification in the context of the IDP system. We evaluate the obtained neighborhoods for six classical optimization problems. The resulting observations support the viability of this technique.

Tree of Thought (ToT) search has become a promising direction for improving the reasoning capabilities of large language models, but deploying these methods in practice raises a question that has received little systematic attention: how do different search strategies behave under varying compute budgets, model sizes, and problem difficulties? In this work, we evaluate two representative ToT methods; DPTS, a Monte Carlo tree search based approach, and SSDP, a semantic deduplication based approach, across two mathematical reasoning benchmarks (Math500 and GSM8K), two model scales (Llama-3B and Llama-8B), and four token budgets (3k--10k). Our analysis reveals that the two methods exhibit limitations that pull in opposite directions. DPTS suffers from a cold-start bottleneck at low budgets: it requires sufficient exploration before its value estimates become reliable, making it a poor fit for resource-constrained settings despite strong scaling behavior at higher budgets. SSDP, on the other hand, reaches candidate solutions efficiently but is prone to frontier depletion; its aggressive node merging permanently discards unexplored paths, leaving it unable to improve regardless of how much budget remains. Together, these findings suggest that neither a fixed exploration strategy nor a fixed pruning strategy is sufficient across compute continuum. We argue that effective search for scientific reasoning agents requires strategies that can adapt their behavior based on search progress and available resources.

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.

Current neural architecture search (NAS) methods are often limited by their predefined, restrictive search spaces. While recent large language model (LLM)-assisted NAS methods enable open-ended search spaces, they often suffer from inefficient exploration due to biased or low-quality design ideas. To address these issues, we propose to semi-automatically structure model design knowledge to guide the search process. Our approach first defines a high-level structural template of architectural attributes. An LLM then populates this template by analyzing papers, creating a rich and diverse search space that embodies this structured design knowledge. To efficiently explore this vast space, we introduce FairNAD, using a multi-type mutation that enables broad exploration through mutation with fair idea sampling, Pareto-aware mutation, LLM-driven iterative mutation, and a fine-grained feedback loop. We demonstrate the effectiveness of FairNAD in discovering high-performing architectures that yield 0.84, 2.17, and 2.35 points improvement on CIFAR-10, CIFAR-100, and ImageNet16-120, respectively, compared to current state-of-the-art methods.