Heuristics

Sparse goal-conditioned planning with few cost-to-go labels can be viewed as a graph-PDE Dirichlet extension problem: extend sparse labels on a goal-dependent boundary to unlabelled graph vertices so that greedy rollouts reach the goal. We study which graph value extensions are planner-admissible under the operational argmin-Q planner. Our main result is a local action-gap certificate: if the surrogate value error along the rollout stays below half the true action gap, then the greedy rollout reaches the goal. Absolutely Minimal Lipschitz Extension (AMLE), the p=infinity endpoint of the graph p-Laplacian family, instantiates this certificate through a comparison-principle fill-distance bound. Harmonic extension, by contrast, can mis-rank local actions because its values reflect boundary hitting probabilities rather than shortest-path greedy order. On 120 AntMaze layout-derived graph configurations, harmonic extension achieves 0.584 aggregate rollout success, while AMLE reaches 0.970. Finite high-p methods also enter a high-success regime, with success 0.903 for p=4, 0.973 for p=8, and 0.982 for a fixed-budget p=16 solver, though the p=16 row is not used as a converged endpoint ranking due to incomplete solver certification. Mechanism audits show that many rollout decisions occur in AMLE-compatible but harmonic-incompatible local geometry, and that AMLE corrects most harmonic inversions on the rollout-weighted decision scope.

Reinforcement learning (RL)-based quadrotor control policies have achieved impressive performance in tasks such as fast navigation in cluttered environments and drone racing, where the focus is on speed and agility. However, in several applications, such as infrastructure inspection, it is critical to achieve precise, controlled maneuvers with tunable performance. In this article, we present a novel heuristic approach to achieve tunable performance in RL-based Quadrotor control through reward design and termination conditions. We present a novel reward structure containing dual bandwidth exponentials that achieves a baseline critically damped response in setpoint tracking, with low steady-state errors. When trained with a Proximal Policy Optimization (PPO) algorithm, in conjunction with episode truncation conditions, the desired performance is achieved in 6 million time steps in a sample-efficient manner. In order to tune the performance about the baseline behavior, we present intuitive heuristic rules to adjust the reward weights and exponential coefficients to achieve faster (acrobatic-like) and slower (inspection-like) settling time performance, while retaining the baseline critically damped response and approximately 2% steady-state error. We evaluate the three RL policies (baseline, acrobatic, and inspection) across 100 trials and show accurate and tunable performance in position and yaw tracking from random initial conditions, thereby demonstrating the effectiveness of the proposed heuristic approach.

Music search at the scale of Amazon Music presents a unique challenge: queries frequently deviate from indexed metadata due to misspellings, transpositions, and phonetic variations, yet the retrieval system must operate under strict millisecond-level latency constraints. Our existing learning-to-retrieve system, the High Confidence Index (HCI), learns query-entity associations from customer behavior, relying on continual ``exploration'' to choose candidates. Traditional n-gram matching enables this exploration but suffers from poor semantic robustness and high noise, limiting the system's ability to learn from long-tail queries. In this work, we present a \textbf{robust neural sparse retrieval system} designed to maximize exploration efficiency. We adapt a state-of-the-art \textbf{inference-free} sparse retrieval architecture to the music domain, combining it with an effective \textbf{domain-specific granular subword tokenization strategy}. Our approach utilizes short-length token constraints (max 3 chars) to enforce the learning of surface-form robustness over lexical memorization. By pre-computing the neural embeddings and term expansions during the offline indexing phase, online processing is reduced to minimal tokenization and IDF weighting, achieving effectively zero latency overhead for query encoding. Evaluations on a 6M-document production corpus show an aggregate \textbf{91.4%} recall@10 (vs. \textbf{57.7%} for trigrams) at comparable throughput. Simulation of the HCI feedback loop demonstrates improved exploration efficiency, with \textbf{+0.8%} higher stabilized recall than production trigrams. Ablation studies indicate that our sparse training methodology drives the performance gains, while domain-specific pretraining provides a cost-effective alternative to large-scale general-purpose pretraining.

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.

The integration of Large Language Models (LLMs) into evolutionary frameworks has established a new paradigm for automated heuristic discovery. Despite their promise, these methods typically search in the discrete space of program syntax, relying on stochastic sampling to navigate a highly non-convex optimization landscape. This work proposes a continuous heuristic discovery framework that shifts optimization to a learned latent manifold. We employ an encoder to map discrete programs into continuous embeddings and train a differentiable surrogate model to predict performance, enabling gradient-based search. To regularize the optimization trajectory, an invertible normalizing flow maps these embeddings to a structured Gaussian prior, where we perform gradient ascent. The resulting optimized latent vectors are projected through a learned mapper into soft prompts, which condition a frozen LLM to synthesize novel executable heuristics. We evaluate the proposed method on the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), the Knapsack Problem (KSP), and Online Bin Packing (OBP). Empirical results demonstrate that continuous latent-space optimization achieves performance competitive with state-of-the-art discrete evolutionary baselines while offering a complementary methodological alternative for automated algorithm design. The implementation code is available at \url{https://github.com/cheikh025/LHS}.

Despite the effectiveness of Cube-and-Conquer (C&C) for solving challenging Boolean Satisfiability (SAT) problems, no prior work has shown that transformer-based models can learn effective cubing heuristics. We introduce a neuro-symbolic post-training framework for this task. We design an MCTS-based data curation pipeline that uses symbolic heuristics to explore splitting decisions over SAT competition formulas, producing preference data grounded in solver statistics and augmented with reasoning traces from a teacher model. Our two-stage post-training, supervised fine-tuning (SFT) followed by direct preference optimization (DPO), enables a 4B-parameter model to achieve a pass@5 score of 53 on 100 SAT competition benchmarks, surpassing frontier LLMs such as Claude-Sonnet-4 (50) and matching the best symbolic heuristic (53). Ablations show that SFT alone improves pass@5 from 46 to 51, with DPO adding 2 additional benchmarks; an entropy/agreement ablation on realized first-cube decisions further shows that SFT, not DPO, accounts for the root-level decision diversity that produces complementary per-run coverage over deterministic symbolic methods. This demonstrates that transformers can be trained to make effective cubing decisions in a domain traditionally dominated by symbolic methods.

Probabilistic search algorithms, such as Monte Carlo Tree Search (MCTS), have proven very effective in solving sequential decision-making tasks under uncertainty. However, interpreting asymmetric search trees that incorporate bandit-based tree traversal and simulation-based value estimation is difficult for end users based solely on raw tree statistics. While prior work requires hand-crafted formal logic constraints that must be updated when the problem changes, we present a framework that enables large language models (LLMs) to generate evidence-grounded explanations of MCTS decisions from recorded search traces in an end-to-end manner. Our framework maps natural-language questions to a structured set of intent categories, determines whether the existing tree contains sufficient evidence, triggers targeted expansion when needed, and generates explanations using tree statistics such as visit counts, value estimates, and risk information. Experimental results provide the first evidence that LLMs can serve as end-to-end explainers for probabilistic search, without requiring intermediate formal representations.

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.

LLMs have shown impressive success in program synthesis, discovering programs that surpass prior solutions. However, these approaches rely on simple numeric scores to signal program quality, such as the value of the solution or the number of passed tests. Because a score offers no guidance on why a program failed, the system must generate and evaluate many candidates hoping some succeed, increasing LLM inference and evaluation costs. We study a different approach: property-guided LLM program synthesis. Instead of scoring programs after evaluation, we check whether a candidate satisfies a formally defined property. When the property is violated, we stop the evaluation early and provide the LLM with a concrete counterexample showing exactly how the program failed. This feedback drastically reduces both the number of program generations and the evaluation cost, and can guide the LLM to generate stronger programs. We evaluate this approach on PDDL planning domains, asking the LLM to synthesize direct heuristic functions: every state reachable by strictly improving transitions has a strictly improving successor. A heuristic with this property leads hill-climbing algorithm directly to a goal state. A counterexample-guided repair loop generates one candidate program, checks the property over a training set, and returns the first case that violates the property. We evaluate our approach on ten planning domains with an out-of-distribution test set. The synthesized heuristics are effectively direct on virtually all test tasks, and compared to the best prior generation method our approach generates seven times fewer programs per domain on average, solves more tasks without using search, and requires several orders of magnitude less computation to evaluate candidates. Whenever a problem admits a verifiable property, property-guided LLM synthesis can reduce cost and improve program quality.

Semantic code search has been widely adopted in both academia and industry. These approaches embed natural-language queries and code snippets into a shared embedding space and retrieve results based on vector similarity. Despit strong performance on benchmark datasets, they often suffer from poor explainability and generalization. Retrieved code may appear semantically similar yet miss critical functional requirements of the query, while providing no explanation of why the result was retrieved. Moreover, such failures become more severe under distribution shift, where models struggle to generalize to unseen benchmarks. In this work, we propose XSearch, an intrinsically explainable code search framework. Our key insight is that by relying on global embedding similarity, existing retrievers inherently take an inductive view. They learn statistical patterns rather than truly understanding the query's functional requirements. We address this problem by reformulating code search as a deductive concept alignment problem. XSearch (i) identifies functional concepts in the query and (ii) explicitly aligns them with corresponding code statements. This explain-then-predict design produces inherent concept-level explanations and mitigates shortcut learning that harms out-of-distribution generalization. We train an encoder with explicit concept-alignment objectives and perform retrieval through explicit matching between query concepts and code statements. Experiments show that, trained on CodeSearchNet using GraphCodeBERT (125M parameters), XSearch improves performance on out-of-distribution benchmarks from 0.02 to 0.33 (15x) over eight state-of-the-art retrievers, and consistently outperforms both encoder- and decoder-based baselines with up to 7B parameters. A user study demonstrates that concept-alignment explanations enable users to evaluate retrieved results faster and more accurately.

We formulate the Resource-Constrained Project Scheduling Problem (RCPSP) as optimal search over the reachability graph of a Timed Transition Petri Net with Resources, using relative-delay tokens so that scheduling decisions correspond to transition firings in the induced state space. We solve the resulting problem with $A^*$ guided by a heuristic that combines Critical Path and resource-based lower bounds, and prove that it is consistent under our token-based time semantics. Experiments on the PSPLIB benchmarks show that the approach outperforms strong exact Mixed-Integer Linear Programming (MIP) baselines (SCIP, CBC) in both success rate and solve time. Per-instance analysis shows that heuristic search and MIP degrade along independent axes, resource tightness for $A^*$ and formulation size for MIP, with resource strength mediating which solver benefits from scale.

Search engines traditionally complement online content platforms by directing users seeking information to external websites. The emergence of generative AI search tools that summarize answers directly on the results page may disrupt this relationship by making visits to source platforms optional. We study this question using Google AI Overviews and Reddit, one of the largest online discussion platforms. Our identification exploits Google's content moderation policy: Safe-for-Work (SFW) Reddit communities are indexed by Google organic search and surfaced in Google AI Overviews, while Not-Safe-for-Work (NSFW) communities, though indexed by organic search, are prohibited from being referenced in AI Overview summaries. Using a difference-in-differences design, we find that AI Overviews increase engagement in SFW communities: daily comments rise by 12.0 percent and the number of commenting users by 12.4 percent relative to NSFW communities. The effects are concentrated in experience-based discussions (opinions, advice, and personal experiences) rather than fact-based information. However, the subsequent introduction of Google AI Mode, which allows users to interact conversationally with the AI summary, largely eliminates these gains in experience-based content. These results suggest that the effects of AI search depend critically on interface design and types of content.

A common critique of neural combinatorial-optimization solvers is that they are less energy-efficient than CPU metaheuristics, given the operational energy cost of training them on GPUs. This paper examines the inferential step from "training is expensive" to "neural solvers are net-inefficient", which is where the critique actually goes wrong. Training the network costs a large fixed amount of GPU energy; running the metaheuristic costs a small amount of CPU energy on every instance, repeated as long as the solver is deployed. The two are not commensurable until a deployment volume is fixed. We define the Amortized Efficiency Threshold (AET) as the deployment volume above which a neural solver breaks even with a heuristic baseline in total energy or carbon, under an explicit constraint on solution quality. We show that the cumulative-energy ratio between the two solvers tends to a constant strictly below one whenever the network wins per instance, and that this limit does not depend on how the training cost was measured. An embodied-carbon term amortizes hardware fabrication symmetrically on both sides. We instantiate the framework on the CVRP environment at n=50 customers with the attention-based autoregressive solver of Kool et al. (2019), trained for 100 epochs on 20,000 instances over five random seeds, and HGS via PyVRP as the heuristic baseline. The measured operational crossover sits near 4.56e3 deployed instances at the median of a six-point baseline-budget sweep; the per-instance neural-to-heuristic ratio is 2.29e-3. The contribution is the framework, the open instrumentation, and the end-to-end measurement protocol. Code and benchmark pipeline are available at https://github.com/sohaibafifi/aet.

Two-Stage Robust Optimization (2RO) with discrete uncertainty is challenging, often rendering exact solutions prohibitive. Scenario reduction alleviates this issue by selecting a small, representative subset of scenarios to enable tractable computation. However, existing methods are largely problem-agnostic, operating solely on the uncertainty set without consulting the feasible region or recourse structure. In this paper, we introduce PRISE, a problem-driven sequential lookahead heuristic that constructs reduced scenario sets by evaluating the marginal impact of each scenario. While PRISE yields high-quality scenario subsets, each selection step requires solving multiple subproblems, making it computationally expensive at scale. To address this, we propose NeurPRISE, a neural surrogate model built on a GNN-Transformer backbone that encodes the per-scenario structure via graph convolution and captures cross-scenario interactions through attention. NeurPRISE is trained via imitation learning with a gain-aware ranking objective, which distills marginal gain information from PRISE into a learned scoring function for scenario ranking and selection. Extensive results on three 2RO problems show that NeurPRISE consistently achieves competitive regret relative to comprehensive methods, maintains strong calability with varying numbers of scenarios, and delivers 7-200x speedup over PRISE. NeurPRISE also exhibits strong zero-shot generalization, effectively handling instances with larger problem scales (up to 5x), more scenarios (up to 4x), and distribution shifts.

How should an agent's performance in a multiagent environment be evaluated when there is a limited sample size or a high cost of running a trial? The AIVAT family of variance reduction techniques was proposed to address this challenge by introducing unbiased low-variance estimators of agents' expected payoffs. An important component of AIVAT is a heuristic value function that discriminates between potentially low- and high-value counterfactual histories. A notable gap in the literature is that there is little to no constraint or guideline on how the heuristic value function should be chosen or how uncertainty in its output should be handled. In our first contribution, we parameterize the heuristic value function to highlight AIVAT's potential vulnerabilities: a) the sample variance can be set pathologically low by directly applying gradient descent on the sample variance, and b) one can p-hack to draw a desired statistical conclusion via gradient descent/ascent on the test statistic. The main takeaway is that the heuristic value function should be fixed prior to observing the evaluation data! In our second contribution, we show how the heuristic uncertainty can be propagated to quantify the uncertainty of AIVAT estimates. It is then possible to further reduce the variance using inverse-variance weighted averaging, but AIVAT's unbiasedness guarantee may have to be sacrificed. In our experiments, we use a dataset of 10,000 poker hands to demonstrate our heuristic pathology and uncertainty results, with the latter yielding a 43.0% reduction in the number of samples (poker hands) needed to draw statistical conclusions.

Learning-assisted algorithm design often has to make reliable search decisions under small evaluation budgets, where committing to a single metaheuristic can be unreliable. We propose WASHH, a Whale-guided Adaptive Selection Hyper-Heuristic for continuous black-box optimization. WASHH uses WOA as the main exploitation backbone, but treats PSO-style memory, GWO-style leader averaging, DE-style variation, local coordinate search, and anchor-guided refinement as selectable search behaviors. An online reward controller allocates evaluations according to observed improvements, while anchor refinement exploits inexpensive reference configurations such as box centers or default model settings without bypassing black-box evaluation. On ten 30-dimensional benchmark functions with 10 independent runs and 12,000 evaluations, WASHH achieves the best average rank, 1.10, and is best or tied best on all ten functions. It strictly improves over WOA on eight functions and ties WOA at the numerical optimum on Rastrigin and Griewank. We further study SVC hyperparameter configuration for breast cancer diagnosis under a 300-evaluation budget. WASHH obtains the lowest mean validation log loss among the compared optimizers, suggesting that anchor-aware selection hyper-heuristics are a practical lightweight direction for LEAD systems.

Given items of different sizes and a fixed bin capacity, the bin-packing problem is to pack these items into the minimum number of bins such that the sum of the item sizes in each bin does not exceed the capacity. We define a new variant, k-times bin-packing (kBP), in which the goal is to pack the items so that each item appears exactly k times in k different bins. We generalize existing approximation algorithms for bin-packing to solve kBP and analyze their performance ratios. The fair electricity division problem motivates the study of kBP. The goal is to allocate the available supply among households using some fairness criteria, such as the egalitarian principle. We prove that every electricity division problem can be solved by k-times bin-packing for some finite k, which depends only on the number of households. We implement generalizations of the First-Fit and First-Fit Decreasing bin-packing algorithms to solve kBP and apply them to real electricity demand data. We show that our generalizations outperform existing heuristic solutions to the same problem in terms of the egalitarian allocation of connection time. We study another variant of the egalitarian allocation problem, in which the goal is to maximize the minimum number of watts allocated to a household. For this variant, we prove an impossibility result: there does not exist such a k that depends only on the number of agents. This impossibility result motivates us to develop four different heuristic algorithms to solve the egalitarian allocation of watts problem. We evaluate the heuristics by summing the minimum watts allocated to any household in each hour, yielding a fairness metric that reflects the lowest watt allocation across all hours. A higher total minimum of watts indicates a more equitable distribution. Thus, we establish new benchmarks for fair allocation of watts.

Sustained effort is essential for realizing the benefits of intelligent tutoring systems (ITS), yet many learners disengage or underuse available practice time. We introduce engagement forecasting as a supervised prediction task based on ITS logs, targeting two outcomes central to effort and learning progress: minutes practiced per week and new skills mastered per week. Using interaction log data from 425 middle-school students over a school year, we benchmark fifteen predictors including regressions, decision trees, and neural networks. We show that these feature-based models reduce mean absolute error (MAE) by 22-33% relative to heuristic baselines, including fixed-percentile rules adapted from prior work in other behavioral domains. We find that percentile heuristics systematically overpredict, whereas feature-based models better track student practice trajectories across weeks. To support explainability, we analyze feature importance and ablations, revealing target-specific patterns: effort forecasting is driven mainly by recent activity features, while progress forecasting depends more on learner-state and content difficulty signals. Finally, in a semi-structured user interview case study with eight college tutors, we examine how tutors reasoned about system-generated predictive features when setting goals with students. We find that tutors reasoned differently about effort versus progress goals in ways that mirror our pattern analysis. Together, these results establish a reproducible benchmark for forecasting weekly effort and learning progress in ITS. By making patterns of sustained effort and progress visible at a weekly timescale, engagement forecasting offers a foundation for supporting tutor-learner goal setting and timely instructional decisions.

We study the fixed-budget max-min action identification problem in depth-2 max-min trees, an important special case of Monte Carlo Tree Search. A learner sequentially allocates $T$ samples to leaves and then recommends a subtree whose minimum leaf value is largest. Motivated by approximate planning, we focus on $\varepsilon$-good subtree identification, where any subtree whose min value is within $\varepsilon$ of the optimal maximin value is acceptable. Our main contribution is an $\varepsilon$-agnostic algorithm: it does not require $\varepsilon$ as input, but achieves instance-dependent error bounds for every meaningful $\varepsilon$. We show that the misidentification probability decays as $\exp(-\widetildeΘ(T/H_2(\varepsilon)))$, where $H_2(\varepsilon)$ captures both cross-subtree and within-subtree gaps. When each subtree has a single leaf, the problem reduces to standard fixed-budget best-arm identification, and our analysis recovers, up to accelerating factors, known $\varepsilon$-good guarantees for halving-style methods while giving a new $\varepsilon$-good guarantee for Successive Rejects. On the lower-bound side, we provide complementary positive and negative results showing that max-min identification has a different hardness structure from standard $K$-armed bandits. To our knowledge, this is the first provable fixed-budget algorithmic guarantee for max-min action identification.

The irreversible nature of blockchain transactions makes the identification of smart contract vulnerabilities an essential requirement for secure system development. While Large Language Models (LLMs) are increasingly integrated into developer workflows, their reliability as autonomous security auditors remains unproven. We assess whether current generative models are a viable replacement for, or only a complement to, traditional static-analysis tools. Our findings indicate that LLM efficacy is undermined by both inherent lexical bias and a lack of rigorous validation of external data inputs. This reliance on non-semantic heuristics, such as identifier naming, leads to a high frequency of false positives. Furthermore, prompting techniques reveal a trade-off between precision and recall. These results were derived using our custom automated framework, which achieves 92% accuracy in classifying model outputs.

Learning-assisted hyper-heuristics can select among dispatching rules while preserving the feasibility and interpretability of constructive Job Shop Scheduling Problem (JSSP) heuristics. Their main computational cost lies in label generation rather than model fitting, since each supervised label usually requires rolling out candidate rules from a partial schedule. We study this label-cost problem together with a reliability problem: a learned selector should not switch away from a strong default rule unless the predicted gain is credible. The proposed selector uses regret-normalized rollout labels, a contextual KNN uncertainty estimate, and a gate that acts only when the predicted improvement exceeds an uncertainty-adjusted margin. We also vary rollout depth and breadth to measure the cost-quality trade-off. On synthetic JSSP instances, the gated selector achieves the lowest mean RPD among learned selectors, remains close to the best fixed dispatching rule, and reduces Random-HH mean RPD by more than an order of magnitude.

LLM-based automatic heuristic design has shown promise for generating executable heuristics for combinatorial optimization, but existing methods mainly rely on delayed endpoint performance. We propose a \emph{teacher-aware evolutionary framework} that uses independently trained learned optimization policies as behavioral teachers. Instead of deploying or imitating the teacher, our method queries it on states visited by candidate heuristic programs and uses its action preferences as local feedback for evolution. The resulting search discovers static executable heuristics guided by both task performance and teacher-derived behavioral signals. Experiments on scheduling, routing, and graph optimization benchmarks show that our method improves over performance-driven LLM heuristic evolution baselines while requiring no neural inference at deployment. These results suggest that learned optimization policies can be repurposed as behavioral feedback sources for automatic heuristic discovery.

Large language models (LLMs) have emerged as powerful tools for automatic algorithm design (AAD). However, existing pipelines remain inefficient. They operate at the granularity of full algorithms, redundantly rewriting recurring substructures and discarding low-fitness candidates that may contain valuable algorithmic features. We formalize budget-efficient automatic algorithm design, wherein the search policy maximizes realized fitness subject to limited computational cost. We propose a directed acyclic graph representation of algorithms and build a search framework that fully exploits the LLM's output. Instead of querying the LLM for full algorithms, we use it to obtain corrections: compact operators that add, replace, or remove code blocks. Each correction augments the graph, yielding new algorithms that compose with prior corrections. This graph structure decomposes algorithms into sets of corrections, enabling correction-level credit assignment that informs subsequent queries. We complement this framework with theoretical insights into the ideal balance between search depth and breadth at different budget levels. We validate our method empirically on three combinatorial optimization problems, demonstrating consistent superiority of our graph-based search over full-algorithm search at equal token budget. Finally, our experiments suggest that rich contexts help only when the LLM's prior knowledge is shallow, and can hinder performance otherwise.

High-throughput gene perturbation experiments can test several genetic interventions in parallel, yet experimental budgets remain limited. A central goal is hit discovery: identifying as many perturbations as possible whose phenotypic effect exceeds a predefined threshold. Pure exploration strategies are statistically inefficient, wasting budget on low-value regions. Bayesian optimization methods offer a principled alternative but target a single global optimum, over-exploiting dominant modes while neglecting other high-value regions. We formalize hit discovery as a sequential experimental design problem and propose Probability-of-Hit, an acquisition function that directly targets threshold exceedance by ranking candidates according to their posterior probability of being a hit. We prove asymptotic optimality of this approach and demonstrate strong empirical performance on both synthetic benchmarks and real biological immunology datasets, including up to 6.4% improvement over baselines on the Schmidt IL-2 dataset.

Extracting multi-step explanations from knowledge graphs poses a combinatorial challenge requiring both heuristic guidance (as candidates proliferate with depth) and credit assignment (as path quality emerges over extended sequences). Frontier LLMs, strong on knowledge/reasoning benchmarks, offer a compelling source of such heuristics, yet their knowledge comes sans guarantees and compositional performance degrades as chains lengthen. We thus present TESSERA, a 3-part neuro-symbolic framework that uses LLMs in a circumscribed role: for local discriminative judgement rather than autonomous multi-step generation; the knowledge graph then defines the hypothesis space enforcing hard structural constraints, and MCTS coordinates the long-horizon search with principled credit assignment via backpropagation. LLMs perform dual roles as a prior policy biasing exploration and a comparative state evaluator supplying reward signals. Evaluation on drug mechanism elucidation across two complementary knowledge graphs demonstrates fidelity to curated biology while surfacing coherent alternative mechanisms, with ablations confirming discriminative contribution from both LLM components. Beyond its current application, our framework offers a general paradigm for compositional reasoning over structured knowledge.

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.

A series of papers has introduced the Heuristic Rating Estimation method, which evaluates a set of alternatives based on pairwise comparisons and the weights of reference alternatives. We formulate the conditions under which the HRE method can be applied correctly. The research considers both arithmetic and geometric algorithms for complete and incomplete pairwise comparison methods. The illustrative examples show that the estimations of inconsistency in the arithmetic variant are optimal.

Monte Carlo Tree Search (MCTS) is a widely used approach for policy improvement and action selection in Reinforcement Learning. Due to its sequential and deterministic nature, principled runtime-scaling of MCTS with parallel compute remains a major challenge. We introduce Particle MCTS (PMCTS), a principled parallel MCTS algorithm suited for neural network evaluations and designed for GPU-acceleration with batch-parallelization. We establish policy improvement guarentees for modern MCTS algorithms and show that PMCTS maintains them. Empirically, PMCTS scales well with parallel compute and consistently outperforms or compares well to the popular heuristic-based baselines across a range of MCTS and RL evaluation domains, including the board games chess and Go and popular discrete action and continuous control benchmarks.

Large Language Models (LLMs) have demonstrated remarkable capabilities in reasoning and tool use. However, the fundamental cognitive faculties essential for problem solving, including perception, reasoning, and memory, remain the stable core of intelligence. Unlike memorizing specific patterns, humans succeed in novel environments by applying these intrinsic faculties to adapt and optimize. Yet, whether LLMs possess this essential capacity, namely the ability to continuously refine solutions in response to dynamic environmental feedback, remains underexplored. To address this challenge, we introduce OPT-BENCH, a benchmark for evaluating self-improvement capabilities in large-scale search spaces. By combining 20 machine learning tasks with 10 classic NP-hard problems, OPT-BENCH provides a rigorous setting to assess whether agents can adapt through intrinsic self-reflection rather than rote tool application. We further propose OPT-Agent, a framework that emulates human-like cognitive adaptation. It operates through a general perception, memory, and reasoning loop, iteratively refining solutions based on environmental feedback. Through extensive experiments on 19 LLMs from 7 model families, including reasoning models, general models, and open-source models ranging from 3B to 235B parameters, we demonstrate that stronger models are more effective at leveraging feedback signals for self-improvement. However, this upper-bound adaptability remains fundamentally constrained by the models' base capacity, and even the most advanced LLMs still fall short of human expert performance.

HTN planning is a variation of classical planning where, instead of searching for a linear sequence of actions, an algorithm decomposes higher-level tasks using a method library until only executable actions remain. On one hand, this allows one to introduce domain knowledge that can speed up the search for a solution through the method library. On the other hand, it creates challenges that go beyond those of classical state-space search. While recent research produced a number of heuristics and novel algorithms that speed up HTN planning, these heuristics are not yet as informative as those available in classical planning algorithms. We investigate whether large language models (LLMs) can generate effective search heuristics for HTN planning, extending the methodology of Corrêa, Pereira, and Seipp (2025) from classical to hierarchical planning. Using the Pytrich planner on six standard total-order HTN benchmark domains, we evaluate heuristics generated by nine LLMs under domain-specific prompting and compare them against the TDG and LMCount domain-independent baselines and the PANDA planner. Our results show that LLM-generated heuristics nearly match the coverage of the best available HTN planner, while substantially reducing search effort on 83% of shared problems.

This paper presents a finite-time analysis for Monte Carlo Tree Search (MCTS) in Partially Observable Markov Decision Processes (POMDPs), with probabilistic concentration bounds in both discrete and continuous observation spaces. While MCTS-style solvers such as POMCP achieve empirical success in many applications, rigorous finite-time guarantees remain an open problem due to the nonstationarity and the interdependencies induced by heuristic action selection (e.g., UCB). In the discrete setting, we address these challenges by extending the polynomial exploration bonus to UCB in POMDP setting, yielding polynomial concentration bounds for the empirical value estimation at the root node. For continuous observation spaces, we introduce an abstract partitioning framework and propose a finite-time bound on partitioning loss. Under mild conditions, we prove highprobability bound on value estimates in POMDPs with continuous observation space. Specifically, we propose Voro-POMCPOW, a variant of POMCPOW with f inite-time guarantees that adaptively partitions the continuous observation space using Voronoi cells. This approach maintains a finite branching factor while preserving the original observation generator. Empirical validation demonstrates that the proposed Voro-POMCPOW shows competitive performance while providing theoretical guarantees. Although our analysis focuses on continuous POMDPs, the techniques developed herein are also applicable to continuous MDPs, closing another gap on the MDP side.

Lifted classical planners operate directly on first-order planning tasks to avoid the computationally demanding grounding step. However, lifted planning is typically slower, as planners must repeatedly instantiate ground structures during search. Many core components of lifted classical planning, such as successor generation, axiom evaluation, task grounding, and delete-relaxed heuristics, have previously been studied through the lens of Datalog evaluation. We build upon this line of work and extend it by developing and analyzing an execution model with two levels of parallelism: rule-level parallelism and grounding parallelism. We further specialize this solver for planning-specific workloads with a grounder based on clique enumeration, which we extend to support semi-naive Datalog evaluation. Our experimental evaluation using greedy best-first search with the FF heuristic shows that our implementation already solves more tasks than the baselines on a single core, and the gap widens as additional cores are used. Moreover, on hard-to-ground tasks where on average 97.6% of the total runtime is spent in Datalog execution, the proposed execution model exhibits an average parallel fraction of 92.4%, while achieving up to a 6-fold speedup on 8 cores in practice.

Sequential recommendation has increasingly shifted toward generative recommenders that combine sequential patterns with semantic item information. Yet these methods are often evaluated on a small set of widely used benchmarks, raising a key question: do these benchmarks actually require the advanced modeling capabilities that modern generative recommenders claim to provide? We conduct a benchmark audit with an intentionally simple graph heuristic. Starting from only the last one or two interacted items, it retrieves candidates from a few-hop item-transition graph and ranks them by item-feature similarity. Despite using no sequence encoder, generative objective, or training, this heuristic matches or outperforms many modern baselines, with relative NDCG@10 improvements of 38.10% and 44.18% over the best competing baseline on Amazon Review Sports and CDs. We show that this behavior reflects shortcut solvability rather than an artifact of one heuristic. We identify three shortcut structures that can make next-item prediction easier than expected: low-branching local transitions, feature-smooth transitions, and limited dependence on long user histories. These shortcuts need not appear together; even one or two strong signals can make simple local retrieval highly competitive, while weakening them makes the benefits of more sophisticated models clearer. Across 14 datasets, model rankings vary substantially with dataset properties, yet the heuristic remains competitive on 10 of them. Our findings suggest that strong performance on standard benchmarks does not always demonstrate advanced sequential, semantic, or generative modeling ability. We call for more careful dataset selection and dataset-level diagnostic analysis when using benchmarks to support claims about new recommendation models.

Object detection on heterogeneous edge devices must satisfy strict energy, latency, and memory constraints while still providing reliable perception for downstream autonomy. Existing energy-aware NAS methods often target limited deployment settings, while real energy remains difficult to optimize because it is highly device-dependent and costly to measure. We address these challenges with an energy-adaptive framework that combines an energy-aware XiResOFA search space, a two-stage energy estimator, and iterative search to identify a single energy-efficient base architecture. We then apply compound scaling to transform this base design into the XiYOLO family across deployment budgets, enabling interpretable accuracy-energy tradeoffs under sparse hardware measurements. Experiments on PascalVOC, COCO, and real-device deployment show that XiYOLO achieves a stronger energy-accuracy tradeoff than YOLO baselines. On PascalVOC, the medium XiYOLO model reaches 86.15 mAP50 while reducing energy relative to YOLOv12m by 20.6% on GPU and 35.9% on NPU. On COCO, XiYOLO reduces energy relative to YOLOv12 by up to 53.7% on GPU and 51.6% on NPU at the small scale. The proposed two-stage estimator also improves sample efficiency over a joint predictor under few-shot adaptation with only 2-20 target-device samples.

Modern AI systems are being deployed in complex domains such as medicine, science, and law, where it is important that they not only produce correct answers, but also represent and update uncertain beliefs about the world as new evidence arrives. We introduce the novel technique of studying LLMs as information processing rules and utilize the information processing gap to study the internal (in)consistencies of how LLMs update their probabilistic beliefs from evidence. Our extensive experiments evaluate multiple approaches in which LLMs can incorporate evidence into their beliefs. Some of these approaches produce (nearly) Bayesian updates; others seem to use a learned heuristic. Surprisingly, the non-Bayesian heuristic updates often outperform exact Bayesian computation in terms of downstream task performance -- indicating the LLMs' probabilistic models of the world are misspecified. Lastly, we show how our measure can provide diagnostics to identify issues with LLM-powered inferential systems.

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.

Many real-world optimization problems consist of multiple tightly coupled subproblems whose solutions must be coordinated to achieve high overall performance. However, existing large language model driven automated heuristic design approaches are limited to single-problem settings. In this paper, we propose CoupleEvo. CoupleEvo proposes three evolutionary coordination strategies to evolve heuristics for coupled optimization problems: the sequential strategy evolves heuristics for one subproblem after the other; the iterative strategy alternates the evolution of heuristics for different subproblems over successive generations; and the integrated strategy evolves heuristics for all problems simultaneously. The approach is evaluated on two representative coupled optimization problems. Experimental results show that decomposition-based strategies (sequential and iterative) provide more stable convergence and higher solution quality, while the integrated evolution strategy suffers from increased search complexity and variability. These findings highlight the importance of coordinating evolutionary search across interdependent subproblems and demonstrate the potential of LLM-driven heuristic design for complex coupled optimization problems. The code is available: https://github.com/tb-git-kit-research/CoupleEvo.

Retrieval benchmarks are increasingly saturating, but we argue that efficient search is far from a solved problem. We identify a class of queries we call oblique, which seek documents that instantiate a latent pattern, like finding all tweets that express an implicit stance, chat logs that demonstrate a particular failure mode, or transcripts that match an abstract scenario. We study three mechanisms through which obliqueness may arise and introduce OBLIQ-Bench, a suite of five oblique search problems over real long-tail corpora. OBLIQ-Bench exposes an overlooked asymmetry between retrieval and verification, where reasoning LLMs reliably recognize latent relevance whenever relevant documents are surfaced, but even sophisticated retrieval pipelines fail to surface most relevant documents in the first place. We hope that OBLIQ-Bench will drive research into retrieval architectures that efficiently capture latent patterns and implicit signals in large corpora.

Large language models (LLMs) have recently advanced automatic heuristic design (AHD) for combinatorial optimization (CO), where candidate heuristics are iteratively proposed, evaluated, and refined. Most existing approaches search over executable programs and distill insights from execution feedback to guide later iterations. Because this process moves from low-level implementations to high-level principles, we refer to it as a bottom-up paradigm. We argue that this view is incomplete and introduce a complementary top-down perspective: knowledge becomes the primary search object and code merely instantiates and tests it, making what is learned explicit and reusable across problems and trajectories. We formalize this shift through a statistical-learning view that exposes a distortion--compression trade-off, and instantiate it in both population-based and tree-based AHD frameworks. Across CO and tasks beyond it, knowledge-first search improves discovery efficiency, transfer, and generalization, often outperforming code-centric pipelines, while combining both strategies yields further gains. Our results suggest that progress in AHD depends on iteratively constructing and evolving interpretable hypotheses that retain value beyond a single search trajectory.

AI-powered educational technologies have demonstrated measurable benefits for learners, but their design and evaluation have largely centered on K-12 contexts. As a result, many AI-supported learning systems remain poorly aligned with the needs, constraints, and goals of adult learners. To better understand how AI systems function in adult education, this paper examines the deployment of several AI learning technologies developed within a multidisciplinary, national research institute in the United States focused on adult learning and online education. Drawing on longitudinal deployment data, we conducted a reflexive thematic analysis to identify recurring challenges and design considerations across systems. These insights were synthesized into a set of 19 design guidelines intended to inform future AI-supported adult learning technologies. We demonstrate the utility of these guidelines through a heuristic evaluation of the deployed systems. Lastly, we present a guideline exploration tool that aids in the ideation of technologies by connecting the guidelines to stakeholder statements surfaced in the analysis process.

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.

Solving large-scale CVRP (LSCVRP) with hundreds to thousands of nodes remains difficult for even state-of-the-art solvers. Divide-and-conquer can scale by decomposing the instance into size-reduced subproblems, but designing decomposition logic and configuring sub-solvers is highly expertise- and labor-intensive. Large Language Models (LLMs) have emerged as promising tools for automated algorithm design. However, existing LLM-driven approaches struggle with LSCVRP primarily due to the difficulty in generating sophisticated search strategies within a limited context window. To bridge this gap, we propose the LLM-assisted Flexible Monte Carlo Tree Search (LaF-MCTS), a novel framework that automates the design of high-performance LSCVRP solvers. We develop a three-tier decision hierarchy to enable incremental design of decomposition policies and sub-solvers for LSCVRP. To enable efficient search within the algorithmic hypothesis space, we introduce semantic pruning to eliminate semantically and structurally redundant codes, and branch regrowth to regenerate codes and preserve diversity. Extensive experiments on CVRPLib demonstrate that LaF-MCTS autonomously composes and optimizes decomposition-enhanced solvers that surpasses various state-of-the-art CVRP solvers.

Large language models excel at complex reasoning, yet evaluating their intermediate steps remains challenging. Although process reward models provide step-wise supervision, they often suffer from a risk compensation effect, where incorrect steps are offset by later correct ones, assigning high rewards to flawed reasoning paths. This issue is further exacerbated in knowledge graph (KG) reasoning, as there may exist multiple paths between the start and end entities in the KGs, and a risky step can make the reasoning path flawed. Those limitations are problematic in risk-sensitive tasks such as medical and legal KG reasoning. To address the issues, we propose a Schema-aware Cumulative Process Reward Model (SCPRM) that evaluates reasoning paths by conditioning on the reasoning prefix , and incorporating schema distance between current reasoning step and the implicit target parsed from the query, which provides cumulative and future rewards to guide the path explorations. We further integrate SCPRM into Monte Carlo Tree Search (MCTS) as SCPRM-MCTS to conduct multi-hop reasoning on KGs for question answering (QA) tasks. Across medical and legal KGQA and CWQ, SCPRM-MCTS improves the performance of Hits@k by an average of 1.18% over strong baselines, demonstrating more accurate and risk-sensitive reasoning evaluation.

This position paper argues that LLM inference serving has outgrown generic heuristics and now demands mathematical optimization and algorithmic foundations. Despite rapid advances in serving systems such as vLLM and SGLang, their algorithmic cores remain largely unchanged from classical distributed computing: request routing uses join-shortest-queue or round-robin, scheduling defaults to FIFO, and KV cache eviction follows LRU. These general-purpose policies ignore the distinctive structure of LLM inference--dynamically growing KV cache memory, prefill-decode phase asymmetry, unknown output lengths, and continuous batching constraints. We contend that the field must develop mathematical models capturing these characteristics, enabling the design of algorithms with provable performance guarantees across diverse workloads, rather than heuristics that may succeed in some scenarios but fail unpredictably in others. Emerging work at the intersection of operations research and ML systems demonstrates that principled methods can match or exceed heuristic performance while providing theoretical guarantees. We call on the community to recognize algorithmic design for LLM serving as a research frontier.

The Zarankiewicz number $\textbf{Z}(m, n, s, t)$ is the maximum number of edges in a bipartite graph $G_{m, n}$ such that there is no complete $K_{s, t}$ bipartite subgraph. We determine for the first time the exact values of three Zarankiewicz numbers: $\textbf{Z}(11, 21, 3, 3)=116$, $\textbf{Z}(11, 22, 3, 3)=121$, and $\textbf{Z}(12, 22, 3, 3)=132$. We further establish lower bounds for 41 more Zarankiewicz numbers, including several that are within one edge of the best known upper bound, and we match the established value in four more closed cases. Our results are obtained using OpenEvolve, an open-source evolutionary algorithm based on Large Language Models (LLMs) that iteratively improves algorithms for generating mathematical constructions by optimizing a reward signal which we tailored for this specific problem. These findings provide new extremal graph constructions and demonstrate the potential of LLM-guided evolutionary search to contribute to mathematical research. In addition to presenting the resulting constructions, we report the generation algorithms produced, describe the relevant implementation details, and provide our computational costs. Our costs are remarkably low, at less than $30 for each Zarankiewicz parameter combination, showing that LLM-guided evolutionary search can be an inexpensive, reproducible, and accessible tool for discovering new combinatorial constructions.

Monte Carlo Tree Search (MCTS) scales poorly in cooperative multi-agent domains because expansion must consider an exponentially large set of joint actions, severely limiting exploration under realistic search budgets. We propose NonZero, which keeps multi-agent MCTS tractable by running surrogate-guided selection over a low-dimensional nonlinear representation using an interaction-guided proposal rule, instead of directly exploring the full joint-action space. Our exploration uses an interaction score: single-agent deviations are ranked by predicted gain, while two-agent deviations are scored by a mixed-difference measure that reveals coordination benefits even when no single agent can improve alone. We formalize candidate proposal as a bandit problem over local deviations and derive a proposal rule, NonZero, with a sublinear local-regret guarantee for reaching approximate graph-local optima without enumerating the joint-action space. Empirically, NonZero improves sample efficiency and final performance on MatGame, SMAC, and SMACv2 relative to strong model-based and model-free baselines under matched search budgets.

While 3D Gaussian Splatting (3DGS) has demonstrated impressive real-time rendering performance, its efficacy remains constrained by a reliance on heuristic density control. Despite numerous refinements to these handcrafted rules, such methods inherently lack the flexibility to adapt to diverse scenes with complex geometries. In this paper, we propose a paradigm shift for density control from rigid heuristics to fully learnable policies. Specifically, we introduce \textbf{LeGS}, a framework that reformulates density control as a parameterized policy network optimized via Reinforcement Learning (RL). Central to our approach is the tailored effective reward function grounded in sensitivity analysis, which precisely quantifies the marginal contribution of individual Gaussians to reconstruction quality. To maintain computational tractability, we derive a closed-form solution that reduces the complexity of reward calculation from $O(N^2)$ to $O(N)$. Extensive experiments on the Mip-NeRF 360, Tanks & Temples, and Deep Blending datasets demonstrate that \textbf{LeGS} significantly outperforms state-of-the-art methods, striking a superior balance between reconstruction quality and efficiency. The code will be released at https://github.com/AaronNZH/LeGS

Deploying machine learning models under production constraints requires joint optimization over model family, quantization scheme, runtime backend, and serving configuration. This induces a hierarchical mixed-variable search space in which many configurations are invalid: evaluations may crash, exceed memory limits, or violate latency constraints. Standard black-box optimizers such as Tree-structured Parzen Estimators (TPE) and constrained Bayesian optimization are effective when valid configurations are common, but they can spend a large fraction of a small evaluation budget on invalid or uninformative trials in hostile deployment spaces. This paper studies that regime and asks whether optimization should be decomposed into an explicit exploration stage followed by model-guided exploitation. We propose Thermal Budget Annealing (TBA), a feasible-first exploration procedure that maps valid and feasible regions before warm-starting TPE. The method includes two robustness mechanisms for hostile hardware: trial timeouts that abort clearly infeasible evaluations early, and subspace blacklisting that temporarily suppresses categorical subspaces after repeated failures. We also introduce DeployBench, a benchmark suite for deployment optimization with hierarchical structure, hidden crash zones, hard constraints, and unequal evaluation costs. On synthetic benchmarks and real GPU deployment with five pre-trained vision models across five GPU targets (NVIDIA H100, A100, RTX 5080, L4, and T4), the proposed hybrid improves model-family discovery under tight constraints while reducing wasted budget relative to cold-start TPE.

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.

Dual-target molecule generation, which focuses on discovering compounds capable of interacting with two target proteins, has garnered significant attention due to its potential for improving therapeutic efficiency, safety and resistance mitigation. Existing approaches face two critical challenges. First, by simplifying the complex dual-target optimization problem to scalarized combinations of individual objectives, they fail to capture important trade-offs between target engagement and molecular properties. Second, they typically do not integrate synthetic planning into the generative process. This highlights a need for more appropriate objective function design and synthesis-aware methodologies tailored to the dual-target molecule generation task. In this work, we propose CombiMOTS, a Pareto Monte Carlo Tree Search (PMCTS) framework that generates dual-target molecules. CombiMOTS is designed to explore a synthesizable fragment space while employing vectorized optimization constraints to encapsulate target affinity and physicochemical properties. Extensive experiments on real-world databases demonstrate that CombiMOTS produces novel dual-target molecules with high docking scores, enhanced diversity, and balanced pharmacological characteristics, showcasing its potential as a powerful tool for dual-target drug discovery. The code and data is accessible through https://github.com/Tibogoss/CombiMOTS.

Mixed Binary Quadratic Programs (MBQPs) are an important and complex set of problems in combinatorial optimization. As solving large-scale combinatorial optimization problems is challenging, primal heuristics have been developed to quickly identify high-quality solutions within a short amount of time. Recently, a growing body of research has also used machine learning to accelerate solution methods for challenging combinatorial optimization problems. Despite the increasing popularity of these ML-guided methods, a large body of work has focused on Mixed-Integer Linear Programs (MILPs). MBQPs are challenging to solve due to the combinatorial complexity coupled with nonlinearities. This work proposes ML-guided primal heuristics for Mixed Binary Quadratic Programs (MBQPs) by adapting and extending existing work on ML-guided MILP solution prediction to MBQPs. We introduce a new neural network architecture for MBQP solution prediction and a new training data collection procedure. Moreover, we extend existing loss functions in solution prediction and propose to combine contrastive and weighted cross-entropy losses. We evaluate the methods on standard and real-world MBQP benchmarks and show that the developed ML-guided methods significantly outperform existing primal heuristics and state-of-the-art solvers. Furthermore, models trained with our proposed extension with combined losses outperform other ML-based methods adapted from MILPs and improve generalization in cross-regional inference on a real-world wind farm layout optimization problem.

We address the problem of searching for an unknown number of stationary targets at unknown positions with a mobile agent. A probability hypothesis density filter is used to estimate the expected number of targets under measurement uncertainty. Existing planners, such as Active Search (AS) and its Intermittent variant (ASI), achieve accurate detection but require costly online optimization. To reduce online computation, we propose to use a convolutional neural network to approximate AS or ASI decisions through direct inference. The network is trained on AS/ASI data using a multi-channel grid that encodes target beliefs, the agent position, visitation history, and boundary information. Simulations with uniform and clustered target distributions show that the network achieves detection rates comparable to AS or ASI while reducing computation by orders of magnitude.

Policies for Partially Observable Markov Decision Processes (POMDPs) are often designed using a nominal system model. In practice, this model can deviate from the true system during deployment due to factors such as calibration drift or sensor degradation, leading to unexpected performance degradation. This work studies policy robustness against deviations in the POMDP observation model. We introduce the Policy Observation Robustness Problem: to determine the maximum tolerable deviation in a POMDP's observation model that guarantees the policy's value remains above a specified threshold. We analyze two variants: the sticky variant, where deviations are dependent on state and actions, and the non-sticky variant, where they can be history-dependent. We show that the Policy Observation Robustness Problem can be formulated as a bi-level optimization problem in which the inner optimization is monotonic in the size of the observation deviation. This enables efficient solutions using root-finding algorithms in the outer optimization. For the non-sticky variant, we show that when policies are represented with finite-state controllers (FSCs) it is sufficient to consider observations which depend on nodes in the FSC rather than full histories. We present Robust Interval Search, an algorithm with soundness and convergence guarantees, for both the sticky and non-sticky variants. We show this algorithm has polynomial time complexity in the non-sticky variant and at most exponential time complexity in the sticky variant. We provide experimental results validating and demonstrating the scalability of implementations of Robust Interval Search to POMDP problems with tens of thousands of states. We also provide case studies from robotics and operations research which demonstrate the practical utility of the problem and algorithms.

We propose a learning-augmented framework for accelerating max-flow computation and image segmentation by integrating Graph Neural Networks (GNNs) with the Ford-Fulkerson algorithm. Rather than predicting initial flows, our method learns edge importance probabilities to guide augmenting path selection. We introduce a Message Passing GNN (MPGNN) that jointly learns node and edge embeddings through coupled updates, capturing both global structure and local flow dynamics such as residual capacity and bottlenecks. Given an input image, we propose a method to construct a grid-based flow network with source and sink nodes, extract features, and perform a single GNN inference to assign edge probabilities reflecting their likelihood of belonging to high-capacity cuts. These probabilities are stored in a priority queue and used to guide a modified Ford-Fulkerson procedure, prioritizing augmenting paths via an Edmonds-Karp-style search with bottleneck-aware tie-breaking. This avoids repeated inference over residual graphs while leveraging learned structure throughout optimization. We further introduce a bidirectional path construction strategy centered on high-probability edges and provide a theoretical framework relating prediction quality to efficiency via a weighted permutation distance metric. Our method preserves max-flow/min-cut optimality while reducing the number of augmentations in practice. We also outline a hybrid extension combining flow warm-starting with edge-priority prediction, establishing a foundation for learning-guided combinatorial optimization in image segmentation.

Self-consistency boosts inference-time performance by sampling multiple reasoning traces in parallel and voting. However, in constrained domains like math and code, this strategy is compute-inefficient because it samples with replacement, repeatedly revisiting the same high-probability prefixes and duplicate completions. We propose Distinct Leaf Enumeration (DLE), a deterministic decoding method that treats truncated sampling as traversal of a pruned decoding tree and systematically enumerates distinct leaves instead of sampling with replacement. This strategy improves inference efficiency in two ways. Algorithmically, it increases coverage of the truncated search space under a fixed budget by exploring previously unvisited high-probability branches. Systemically, it reuses shared prefixes and reduces redundant token generation. Empirically, DLE explores higher-quality reasoning traces than stochastic self-consistency, yielding better performance on math, coding, and general reasoning tasks.

We introduce Semantic Recall, a novel metric to assess the quality of approximate nearest neighbor search algorithms by considering only semantically relevant objects that are theoretically retrievable via exact nearest neighbor search. Unlike traditional recall, semantic recall does not penalize algorithms for failing to retrieve objects that are semantically irrelevant to the query, even if those objects are among their nearest neighbors. We demonstrate that semantic recall is particularly useful for assessing retrieval quality on queries that have few relevant results among their nearest neighbors-a scenario we uncover to be common within embedding datasets. Additionally, we introduce Tolerant Recall, a proxy metric that approximates semantic recall when semantically relevant objects cannot be identified. We empirically show that our metrics are more effective indicators of retrieval quality, and that optimizing search algorithms for these metrics can lead to improved cost-quality tradeoffs.

Approximate nearest neighbor (ANN) search in AI systems increasingly handles sensitive data on third-party infrastructure. Trusted execution environments (TEEs) offer protection, but cost-efficient deployments must rely on external SSDs, which leaks user queries through disk access patterns to the host. Oblivious RAM (ORAM) can hide these access patterns but at a high cost; when paired with existing disk-based ANN search techniques, it makes poor use of SSD resources, yielding high latency and poor cost-efficiency. The core challenge for efficient oblivious ANN search over SSDs is balancing both bandwidth and access count. The state-of-the-art ORAM-ANN design minimizes access count at the ANN level and bandwidth at the ORAM level, each trading-off the other, leaving the combined system with both resources overutilized. We propose inverting this design, minimizing bandwidth consumption in the ANN layer and access count in the ORAM layer, since each component is better suited for its new role: ANN's inherent approximation allows for more bandwidth efficiency, while ORAM has no fundamental lower bounds on access count (as opposed to bandwidth). To this end, we propose a cost-efficient approach, Onyx, with two new co-designed components: Onyx-ANNS introduces a compact intermediate representation that proactively prunes the majority of bandwidth-intensive accesses without hurting recall, and Onyx-ORAM proposes a locality-aware shallow tree design that reduces access count while remaining compatible with bandwidth-efficient ORAM techniques. Compared to the state-of-the-art oblivious ANN search system, Onyx achieves $1.7-9.9\times$ lower cost and $2.3-12.3\times$ lower latency.

While self-consistency is known to improve performance on symbolic reasoning, its effect on the recall of encyclopedic knowledge is unclear due to a lack of targeted evaluation grounds. To address this, we establish such a knowledge recall split for the popular MMLU benchmark by applying a data-driven heuristic from prior work. We validate this split by showing that the performance patterns on the symbolic reasoning and knowledge recall subsets mirror those of GSM8K and MedMCQA, respectively. Using this solid ground, we find that self-consistency consistently improves performance across both symbolic reasoning and knowledge recall, even though its underlying CoT prompting is primarily effective for symbolic reasoning. As a result, we achieve an 89% accuracy on MMLU, the best performance to date with the use of GPT-4o.