We address the problem of efficiently organizing search over very large trees, which arises in many applications ranging from autonomous driving to aerial vehicles. Here, we are motivated by off-road autonomy, where real-time planning is essential. Classical approaches use graphs of motion primitives and exploit dominance to mitigate the curse of dimensionality and prune expansions efficiently. However, for complex dynamics, repeatedly solving two-point boundary-value problems makes graph construction too slow for fast kinodynamic planning. Hybrid A* (HA*) addressed this challenge by searching over a tree of motion primitives and introducing approximate pruning using a grid-based dominance check. However, choosing the grid resolution is difficult: too coarse risks failure, while too fine leads to excessive expansions and slow planning. We propose Incremental Generalized Hybrid A* (IGHA*), an anytime tree-search framework that dynamically organizes vertex expansions without rigid pruning. IGHA* provably matches or outperforms HA*. For both on-road kinematic and off-road kinodynamic planning queries for a car-like robot, variants of IGHA* use 6x fewer expansions to the best solution compared to an optimized version of HA* (HA*M, an internal baseline). In simulated off-road experiments in a high-fidelity simulator, IGHA* outperforms HA*M when both are used in the loop with a model predictive controller. We demonstrate real-time performance both in simulation and on a small-scale off-road vehicle, enabling fast, robust planning under complex dynamics. Website: https://personalrobotics.github.io/IGHAStar/

Implicit regularization refers to the tendency of local search algorithms to converge to low-dimensional solutions, even when such structures are not explicitly enforced. Despite its ubiquity, the mechanism underlying this behavior remains poorly understood, particularly in over-parameterized settings. We analyze gradient descent dynamics and identify three conditions under which it converges to second-order stationary points within an implicit low-dimensional region: (i) suitable initialization, (ii) efficient escape from saddle points, and (iii) sustained proximity to the region. We show that these can be achieved through infinitesimal perturbations and a small deviation rate. Building on this, we introduce Infinitesimally Perturbed Gradient Descent (IPGD), which satisfies these conditions under mild assumptions. We provide theoretical guarantees for IPGD in over-parameterized matrix sensing and empirical evidence of its broader applicability.

While most heuristics studied in heuristic search depend only on the state, some accumulate information during search and thus also depend on the search history. Various existing approaches use such dynamic heuristics in $\mathrm{A}^*$-like algorithms and appeal to classic results for $\mathrm{A}^*$ to show optimality. However, doing so ignores the complexities of searching with a mutable heuristic. In this paper we formalize the idea of dynamic heuristics and use them in a generic algorithm framework. We study a particular instantiation that models $\mathrm{A}^*$ with dynamic heuristics and show general optimality results. Finally we show how existing approaches from classical planning can be viewed as special cases of this instantiation, making it possible to directly apply our optimality results.

Abstract--Autonomous robots rely on geometric maps to inform a diverse set of perception and decision-making algorithms. As autonomy requires reasoning and planning on multiple scales of the environment, each algorithm may require a different map for optimal performance. Light Detection And Ranging (LiDAR) sensors generate an abundance of geometric data to satisfy these diverse requirements, but selecting informative, size-constrained maps is computationally challenging as it requires solving an NP-hard combinatorial optimization. In this work we present OptMap: a geometric map distillation algorithm which achieves real-time, application-specific map generation via multiple theoretical and algorithmic innovations. A central feature is the maximization of set functions that exhibit diminishing returns, i.e., submodularity, using polynomial-time algorithms with provably near-optimal solutions. We formulate a novel submodular reward function which quantifies informativeness, reduces input set sizes, and minimizes bias in sequentially collected datasets. Further, we propose a dynamically reordered streaming submod-ular algorithm which improves empirical solution quality and addresses input order bias via an online approximation of the value of all scans. T esting was conducted on open-source and custom datasets with an emphasis on long-duration mapping sessions, highlighting OptMap's minimal computation requirements. Open-source ROS1 and ROS2 packages are available and can be used alongside any LiDAR SLAM algorithm. ODERN autonomous systems use a modular software architecture with separate algorithms for perceiving the environment, planning collision-free paths, estimating vehicle motion, and making higher-level decisions to complete their tasks. Many of these algorithms depend on geometric information about the environment to function properly. As a result, their performance and processing time can vary greatly depending on the quality of the geometric data. For example, trajectory planners use geometric maps to plan collision-free paths, but the density of geometric data is critical for balancing real-time replanning requirements against reliable collision detection. This trade-off is best served by dense geometric maps that specifically capture the intended trajectory corridor (Figure 1a). In contrast, localization entails aligning a source and reference point cloud, a process best served by using a sparse and global reference point could to minimize computation time while maximizing alignment accuracy (Figure 1b). Distribution Statement A: Approved for public release; distribution is unlimited. Map is dense while remaining efficient as only points near the intended trajectory are returned.

Lifelong user interest modeling is crucial for industrial recommender systems, yet existing approaches rely predominantly on ID-based features, suffering from poor generalization on long-tail items and limited semantic expressiveness. While recent work explores multimodal representations for behavior retrieval in the General Search Unit (GSU), they often neglect multimodal integration in the fine-grained modeling stage -- the Exact Search Unit (ESU). In this work, we present a systematic analysis of how to effectively leverage multimodal signals across both stages of the two-stage lifelong modeling framework. Our key insight is that simplicity suffices in the GSU: lightweight cosine similarity with high-quality multimodal embeddings outperforms complex retrieval mechanisms. In contrast, the ESU demands richer multimodal sequence modeling and effective ID-multimodal fusion to unlock its full potential. Guided by these principles, we propose MUSE, a simple yet effective multimodal search-based framework. MUSE has been deployed in Taobao display advertising system, enabling 100K-length user behavior sequence modeling and delivering significant gains in top-line metrics with negligible online latency overhead. To foster community research, we share industrial deployment practices and open-source the first large-scale dataset featuring ultra-long behavior sequences paired with high-quality multimodal embeddings. Our code and data is available at https://taobao-mm.github.io.

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a unified evaluation suite that standardizes heterogeneous model outputs into a common schema to enable statistically rigorous, apples-to-apples comparison. The framework includes a reproducible benchmarking pipeline with stratified sampling and bootstrapped confidence intervals, accompanied by SynthArena, an interactive platform for qualitative route inspection. We utilize this infrastructure to evaluate leading search-based and sequence-based algorithms on a new suite of standardized benchmarks. Our analysis reveals a divergence between "solvability" (stock-termination rate) and route quality; high solvability scores often mask chemical invalidity or fail to correlate with the reproduction of experimental ground truths. Furthermore, we identify a "complexity cliff" in which search-based methods, despite high solvability rates, exhibit a sharp performance decay in reconstructing long-range synthetic plans compared to sequence-based approaches. We release the full framework, benchmark definitions, and a standardized database of model predictions to support transparent and reproducible development in the field.

Accurately predicting experimentally-realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called crystal structure prediction (CSP). Efficiently solving this problem has implications ranging from pharmaceuticals to organic semiconductors, as crystal packing directly governs the physical and chemical properties of organic solids. In this paper, we introduce OXtal, a large-scale 100M parameter all-atom diffusion model that directly learns the conditional joint distribution over intramolecular conformations and periodic packing. To efficiently scale OXtal, we abandon explicit equivariant architectures imposing inductive bias arising from crystal symmetries in favor of data augmentation strategies. We further propose a novel crystallization-inspired lattice-free training scheme, Stoichiometric Stochastic Shell Sampling ($S^4$), that efficiently captures long-range interactions while sidestepping explicit lattice parametrization -- thus enabling more scalable architectural choices at all-atom resolution. By leveraging a large dataset of 600K experimentally validated crystal structures (including rigid and flexible molecules, co-crystals, and solvates), OXtal achieves orders-of-magnitude improvements over prior ab initio machine learning CSP methods, while remaining orders of magnitude cheaper than traditional quantum-chemical approaches. Specifically, OXtal recovers experimental structures with conformer $\text{RMSD}_1<0.5$ Å and attains over 80\% packing similarity rate, demonstrating its ability to model both thermodynamic and kinetic regularities of molecular crystallization.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension $n=8$, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions $4-16$, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Tree-of-Thought (ToT) reasoning boosts the problem-solving abilities of Large Language Models (LLMs) but is computationally expensive due to semantic redundancy, where distinct branches explore equivalent reasoning paths. We introduce Semantic Similarity-Based Dynamic Pruning (SSDP), a lightweight method that, to the best of our knowledge, is the first framework to integrate online semantic merging into parallelized tree search, enabling the clustering and pruning of redundant steps in real time. Across reasoning benchmarks, including GSM8K and MATH500, SSDP achieves up to a 2.3x speedup over state-of-the-art tree-search baselines while maintaining competitive accuracy (typically within 5% of the strongest baseline) and reducing the number of explored nodes by 85-90%, demonstrating a practical approach to efficient, scalable LLM reasoning. The implementation of SSDP is publicly available at https://github.com/kimjoonghokim/SSDP.

Designing effective algorithmic components remains a fundamental obstacle in tackling NP-hard combinatorial optimization problems (COPs), where solvers often rely on carefully hand-crafted strategies. Despite recent advances in using large language models (LLMs) to synthesize high-quality components, most approaches restrict the search to a single element - commonly a heuristic scoring function - thus missing broader opportunities for innovation. In this paper, we introduce a broader formulation of solver design as a multi-strategy optimization problem, which seeks to jointly improve a set of interdependent components under a unified objective. To address this, we propose Multi-strategy Optimization via Turn-based Interactive Framework (MOTIF) - a novel framework based on Monte Carlo Tree Search that facilitates turn-based optimization between two LLM agents. At each turn, an agent improves one component by leveraging the history of both its own and its opponent's prior updates, promoting both competitive pressure and emergent cooperation. This structured interaction broadens the search landscape and encourages the discovery of diverse, high-performing solutions. Experiments across multiple COP domains show that MOTIF consistently outperforms state-of-the-art methods, highlighting the promise of turn-based, multi-agent prompting for fully automated solver design.