Search Algorithms

Recent momentum

-22%

7 papers in the last 28 days · 0.1% of indexed attention

Twelve weeks of publication activity for this topic as it is defined today.

Weekly history

Recent digests

What was published in this topic, kept on the site without email delivery.

Period ending 2026-09-21

2 new papers

A weekly snapshot of new work published in Search Algorithms.

Period ending 2026-09-14

4 new papers

A weekly snapshot of new work published in Search Algorithms.

Period ending 2026-09-07

3 new papers

A weekly snapshot of new work published in Search Algorithms.

88 papers

Latest in Search Algorithms

May 15, 2026cs.SE

XSearch: Explainable Code Search via Concept-to-Code Alignment

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.
Yiming Liu, Ruofan Liu, Yun Lin +7
May 11, 2026cs.AI

Budget-Efficient Automatic Algorithm Design via Code Graph

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.
Maxime Bouscary, Manxi Wu, Saurabh Amin
May 11, 2026cs.LG

Many Needles in a Haystack: Active Hit Discovery for Perturbation Experiments

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.
Andrea Rubbi, Arpit Merchant, Samuel Ogden +4
May 9, 2026cs.AI

OPT-BENCH: Evaluating the Iterative Self-Optimization of LLM Agents in Large-Scale Search Spaces

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.
Xiaozhe Li, Jixuan Chen, Xinyu Fang +4
May 8, 2026cs.AI

Hierarchical Task Network Planning with LLM-Generated Heuristics

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.
Felipe Meneguzzi, Alexandre Buchweitz, Augusto B. Corrêa +2
May 7, 2026cs.CV

XiYOLO: Energy-Aware Object Detection via Iterative Architecture Search and Scaling

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.
Tony Tran, Richie R. Suganda, Bin Hu
May 7, 2026cs.IR

OBLIQ-Bench: Exposing Overlooked Bottlenecks in Modern Retrievers with Latent and Implicit Queries

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.
Diane Tchuindjo, Devavrat Shah, Omar Khattab
May 1, 2026cs.AI

New Bounds for Zarankiewicz Numbers via Reinforced LLM Evolutionary Search

The Zarankiewicz number Z(m,n,s,t)\textbf{Z}(m, n, s, t) is the maximum number of edges in a bipartite graph Gm,nG_{m, n} such that there is no complete Ks,tK_{s, t} bipartite subgraph. We determine for the first time the exact values of three Zarankiewicz numbers: Z(11,21,3,3)=116\textbf{Z}(11, 21, 3, 3)=116, Z(11,22,3,3)=121\textbf{Z}(11, 22, 3, 3)=121, and Z(12,22,3,3)=132\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.
Jay Bhan, Nicole Nobili, Patrick Langer
Apr 27, 2026cs.LG

Feasible-First Exploration for Constrained ML Deployment Optimization in Crash-Prone Hierarchical Search Spaces

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.
Christian Lysenstøen
Apr 24, 2026cs.LG

Fast Neural-Network Approximation of Active Target Search Under Uncertainty

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.
Bilal Yousuf, Zsofia Lendek, Lucian Busoniu
Apr 23, 2026cs.AI

Robustness Analysis of POMDP Policies to Observation Perturbations

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.
Benjamin Kraske, Qi Heng Ho, Federico Rossi +2
Apr 22, 2026cs.LG

Efficient Test-Time Inference via Deterministic Exploration of Truncated Decoding Trees

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.
Xueyan Li, Johannes Zenn, Ekaterina Fadeeva +3
Apr 22, 2026cs.IR

Semantic Recall for Vector Search

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.
Leonardo Kuffo, Ioanna Tsakalidou, Roberta De Viti +3
Apr 22, 2026cs.CR

Onyx: Cost-Efficient Disk-Oblivious ANN Search

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 1.79.9×1.7-9.9\times lower cost and 2.312.3×2.3-12.3\times lower latency.
Deevashwer Rathee, Jean-Luc Watson, Zirui Neil Zhao +2
Apr 20, 2026cs.CL

Less Is More: Cognitive Load and the Single-Prompt Ceiling in LLM Mathematical Reasoning

We present a systematic empirical study of prompt engineering for formal mathematical reasoning in the context of the SAIR Equational Theories Stage 1 competition. The task requires deciding whether one equational law implies another over all magmas -- a problem that is undecidable in general but decidable for FALSE via finite model search. Over five weeks, we designed, tested, and analyzed more than 40 prompt variants, ranging from 0 to 4,878 bytes, across four evaluation splits and three language models (gpt-oss-120b, Llama 3.3 70B, Gemma 4 31B). Our central finding is a single-prompt ceiling: despite substantial engineering effort, balanced hard accuracy plateaus in an empirical saturation region of approximately 60--79% for gpt-oss-120b, compared to a 59.75% no-cheatsheet baseline. We identify three mechanisms underlying this ceiling: (1) the mathematical undecidability of the TRUE case limits what any finite prompt can encode; (2) complex rule systems decrease performance on weaker models (Llama 3.3 70B collapses to 0% TRUE recall with prompts exceeding 2KB); and (3) prompt ordering effects interact with model attention in fragile, non-monotonic ways. Our best submission (AN45c, 2,252 bytes) achieves 79.25% accuracy on hard3 (n=400; 95% CI: [75.0%, 82.9%]), with TRUE recall of 95.9% and FALSE recall of 63.4%, representing a +19.5 percentage-point improvement over the no-cheatsheet baseline (59.75%). We release all prompt variants, evaluation scripts, and results at https://github.com/israelcazares/sair-prompt-engineering
Manuel Israel Cazares
Apr 19, 2026cs.GT

Study and Improvement of Search Algorithms in Multi-Player Perfect-Information Games

In this article, we generalize Unbounded Minimax, the state-of-the-art search algorithm for zero sums two-player games with perfect information to the framework of multiplayer games with perfect information. We experimentally show that this generalized algorithm also achieves better performance than the main multiplayer search algorithms.
Quentin Cohen-Solal
Apr 16, 2026cs.CV

Efficient Search of Implantable Adaptive Cells for Medical Image Segmentation

Purpose: Adaptive skip modules can improve medical image segmentation, but searching for them is computationally costly. Implantable Adaptive Cells (IACs) are compact NAS modules inserted into U-Net skip connections, reducing the search space compared with full-network NAS. However, the original IAC framework still requires a 200-epoch differentiable search for each backbone and dataset. Methods: We analyzed the temporal behavior of operations and edges within IAC cells during differentiable search on public medical image segmentation benchmarks. We found that operations selected in the final discrete cell typically emerge among the strongest candidates early in training, and their architecture parameters stabilize well before the final epoch. Based on this, we propose a Jensen--Shannon-divergence-based stability criterion that tracks per-edge operation-importance distributions and progressively prunes low-importance operations during search. The accelerated framework is called IAC-LTH. Results: Across four public benchmarks (ACDC, BraTS, KiTS, AMOS), several 2-D U-Net backbones, and a 2-D nnU-Net pipeline, IAC-LTH discovers IAC cells whose patient-level segmentation performance matches and sometimes slightly exceeds that of cells found by the original full-length search, while reducing wall-clock NAS cost by 3.7x to 16x across datasets and backbones. These results are consistent across architectures, benchmarks, and both non-augmented and augmented training settings, while preserving the gains of IAC-equipped U-Nets over strong attention-based and dense-skip baselines. Conclusion: Competitive IAC architectures can be identified from early-stabilizing operations without running the full search, making adaptive skip-module design more practical for medical image segmentation under realistic computational constraints.
Emil Benedykciuk, Marcin Denkowski, Grzegorz M. Wójcik
Apr 13, 2026cs.RO

Identifying and Exploiting Structure in Robot Co-Design

Co-design is a high-dimensional search problem in the robot morphology and control design space. Efficient search requires exploiting the structure shaped by their interaction. To understand this structure, we analyze the landscapes of soft locomotion and manipulation tasks. We identify three patterns consistent across regions of their co-design spaces: 1) Within a region, quality varies along a low-dimensional manifold, with minimal variation orthogonal to it, reducing the effective search space dimensionality. 2) In higher-quality regions, the variance in quality is spread across more dimensions, necessitating search to expand dimensionality as quality improves. 3) In higher-quality regions, quality varies along joint morphology-control dimensions, requiring search along them. Using these insights, we devise an efficient co-design algorithm that yields 36% better co-designs than state-of-the-art baselines. We examine their exploration patterns and show that these baselines required an order of magnitude more function evaluations to find co-designs of comparable quality. Finally, we ablate our algorithm to verify that exploiting the identified structure was the key to efficient co-design.
Apoorv Vaish, Oliver Brock
Mar 9, 2026cs.LG

Amortized Maximum Inner Product Search with Learned Support Functions

Maximum inner product search (MIPS) is a crucial subroutine in machine learning, requiring the identification of a vector taken within a database (the keys) that best aligns with a given query. We propose amortized MIPS: a regression-based approach that trains neural networks to directly predict MIPS solutions, amortizing the cost of repeatedly solving MIPS for queries drawn from a known distribution over a fixed key database. Our key insight is that the MIPS value function is the \emph{support} function of the set of keys, a well-studied convex function whose gradient yields the optimal key. This motivates two complementary amortized models: SupportNet, an input-convex neural network trained to regress the support function, and KeyNet, a vector-valued network that directly regresses the optimal key. SupportNet can serve as a cluster router, steering queries toward relevant database partitions, while KeyNet can be used as a drop-in replacement for the original query, fed directly to off-the-shelf indexing pipelines. Our experiments on the BEIR benchmark show that, for document embeddings, learned \SupportNet{}s and \KeyNet{}s significantly improve IVF match rates when accounting for compute effort, whether measured in FLOPs, number of probes, or wall-clock time. Our code is available at: https://github.com/apple/ml-amips.
Theo X. Olausson, João Monteiro, Michal Klein +1
Mar 6, 2026cs.DB

Efficient K-generalizable Learned Search

Learned top-K search improves the accuracy-latency trade-off of graph-based vector search, but existing methods are designed for a fixed K: serving production workloads with varying K values requires preprocessing cost proportional to the number of distinct Ks served - prohibitive in practice. This paper shows that learned search can support arbitrary K with the preprocessing cost of a single top-1 model. The key idea is to reduce top-K learned search to repeated masked top-1 refinement, which works because the distance-reduction trajectory for discovering the next top-1 vector is largely invariant to the number of results already found. We therefore train the model on trajectory features that remain effective under masking. To make repeated refinement robust and efficient, OMEGA counters error accumulation across iterations with rank-wise confidence allocation, and skips unnecessary model invocations with a statistical forecast of recall from partial results. Across nine dataset-scale configurations, OMEGA meets the 0.95 recall target with one K-independent model. Under the lowest-preprocessing configuration of each learned baseline,it reduces mean latency by 7-36% versus DARTH, 3-25% versus MultiK-DARTH, and 8-21% versus LAET on BIGANN, BIGANN-1B, DEEP, and three production workloads. On GIST, Text2Image, and MS MARCO, its latency remains within 9% of DARTH and MultiK-DARTH. On production traces, OMEGA further reduces total serving and preprocessing computation by up to 28%.
Yifan Peng, Jiafei Fan, Xingda Wei +7
Jan 4, 2026cs.CG

Exact and Approximate Range Queries in Ball Mapper

Ball Mapper summarizes a finite metric dataset by covering the sample with closed balls centered at selected landmarks and connecting landmarks whose balls share observations. Its construction therefore depends critically on repeated fixed radius range queries, yet the effect of replacing exact queries by approximate search has not been systematically characterized. We formulate Ball Mapper through an abstract range query procedure that separates the mathematical construction from the search backend used to realize it. Under fixed ordering, exact procedures preserve the landmark sequence, cover, graph, and membership-based colorings. For approximate procedures, we derive deterministic bounds on covering radius and landmark separation under additive and multiplicative query errors, prove inclusions for the induced nerve, characterize edge survival through witness redundancy for conservative approximations, and bound perturbations of mean vertex colorings. The accompanying implementation provides independent exact reference backends together with exhaustive and approximate search methods under a common closed ball convention. Experiments on Gaussian, mixture, and noisy curve data across three seeds show that approximation fidelity depends strongly on geometry and that edges supported by multiple witnesses are substantially more robust to missed memberships. At 20,000 observations, the approximate indexes did not outperform exhaustive FAISS Flat search. The results therefore establish a framework for controlled approximation rather than a universal speed advantage, and identify the geometric and combinatorial quantities that govern when approximate range search preserves the Ball Mapper summary.
Jay-Anne Bulauan, John Rick Manzanares
Dec 10, 2025cs.LG

AP-BMM: Approximating Capability-Cost Pareto Sets of LLMs via Asynchronous Prior-Guided Bayesian Model Merging

LLM services need to offer a family of models spanning different capability--cost trade-offs to accommodate diverse user preferences. Model merging offers a practical way to construct such a model family by combining a reasoning-enhanced model with an instruction-tuned model. Compared with model-level merging, layer-wise merging offers finer control over the capability--cost trade-off by assigning different merge weights to individual layers. However, it introduces two practical challenges: the layer-wise search space is high-dimensional, and existing methods rarely exploit informative signals from the source models; moreover, the highly variable runtime of LLM evaluations makes synchronous batch optimization inefficient by leaving GPU resources idle while waiting for slow evaluations. To address these challenges, we propose Asynchronous Prior-Guided Bayesian Model Merging (AP-BMM), which formulates layer-wise merging as a multi-objective optimization problem to approximate a Pareto set of merged LLMs, yielding a family of Pareto-optimal merged models with diverse capability--cost trade-offs. AP-BMM leverages parameter and activation discrepancies between the source models to guide the early layer-wise search, employs asynchronous pending-aware Bayesian optimization to maximize GPU utilization through asynchronous evaluations and to select high-quality candidates via pending awareness, and applies lightweight ranking over an oversized candidate pool to improve Pareto-front coverage. Under fixed evaluation budgets, AP-BMM achieves higher hypervolume (HV) and broader Pareto-front coverage than synchronous layer-wise and representative model-level merging methods, while reducing wall-clock time through higher GPU utilization.
Kesheng Chen, Yamin Hu, Zhenqian Zhu +2
Oct 28, 2025cs.LG

APEX: Approximate-but-exhaustive search for ultra-large combinatorial synthesis libraries

Make-on-demand combinatorial synthesis libraries (CSLs) like Enamine REAL have significantly enabled drug discovery efforts. However, their large size presents a challenge for virtual screening, where the goal is to identify the top compounds in a library according to a computational objective (e.g., optimizing docking score) subject to computational constraints under a limited computational budget. For current library sizes -- numbering in the tens of billions of compounds -- and scoring functions of interest, a routine virtual screening campaign may be limited to scoring fewer than 0.1% of the available compounds, leaving potentially many high scoring compounds undiscovered. Furthermore, as constraints (and sometimes objectives) change during the course of a virtual screening campaign, existing virtual screening algorithms typically offer little room for amortization. We propose the approximate-but-exhaustive search protocol for CSLs, or APEX. APEX utilizes a neural network surrogate that exploits the structure of CSLs in the prediction of objectives and constraints to make full enumeration on a consumer GPU possible in under a minute, allowing for exact retrieval of approximate top-k sets. To demonstrate APEX's capabilities, we develop a benchmark CSL comprised of more than 10 million compounds, all of which have been annotated with their docking scores on five medically relevant targets along with physicohemical properties measured with RDKit such that, for any objective and set of constraints, the ground truth top-k compounds can be identified and compared against the retrievals from any virtual screening algorithm. We show APEX's consistently strong performance both in retrieval accuracy and runtime compared to alternative methods.
Aryan Pedawi, Jordi Silvestre-Ryan, Bradley Worley +5
Oct 1, 2025cs.LG

Panorama: Fast-Track Nearest Neighbors

Approximate Nearest-Neighbor Search (ANNS) pipelines for high-dimensional neural embeddings spend the bulk of their query time in candidate verification, making it the primary bottleneck in the search process. In this paper, we present PANORAMA, a state-of-the-art refinement technique that accelerates verification by exploiting the inherent spectral decay of these embeddings. Using PCA to compact signal energy, PANORAMA evaluates candidate distances incrementally, computing at each step a strict lower bound on the full-vector distance and dynamically pruning candidates the moment this bound exceeds the running k-th nearest neighbor distance. While PCA's concentration of variance facilitates pruning, it breaks the uniform-variance assumption required by Product Quantization (PQ); we resolve this with a variance-shaping step that redistributes energy across subvectors, rendering accretive refinement compatible with quantized indexes. Optimized for modern memory hierarchies via vectorized bulk-pruning and cache-conscious data layouts, PANORAMA has been upstreamed into the FAISS library across major index families (IVFPQ/Flat, HNSW, and Refine). PANORAMA achieves higher QPS at any target recall with a cost that provably scales inversely with dataset spectral decay, delivering end-to-end speedups of up to 28.9x and outperforming probabilistic methods across all recall bands.
Vansh Ramani, Alexis Schlomer, Akash Nayar +3
Sep 23, 2025cs.RO

N2M: Bridging Navigation and Manipulation by Learning Pose Preference from Rollout

Determining where to execute the manipulation policy is a fundamental challenge in mobile manipulation. Most approaches have formulated this as a geometric search problem, prioritizing physical reachability. However, given the high sensitivity of modern learning-based manipulation policies, geometric criteria alone are insufficient. Optimal performance requires base positioning that is aware of the policy's preference. While recent works have attempted to address this, they remain limited in practicality due to reliance on pre-built scene reconstruction and slow inference. In this work, we introduce N2M that systematically reformulates the approach to base positioning problem, naturally overcoming limitations of previous methods. Our key insight is that policy preferences are inherent to the local scene structure and can be effectively learned from the policy rollouts. Technically, we propose a novel viewpoint augmentation strategy that enables the model to learn robust, viewpoint-invariant pose preferences with remarkable data efficiency. Extensive experiments demonstrate that N2M achieves state-of-the-art performance, outperforming both non-policy-aware baselines and recent policy-aware alternatives. Furthermore, we provide a comprehensive analysis highlighting N2M's broad applicability, generalization capabilities, and data efficiency. Project website: https://clvrai.github.io/N2M/
Kaixin Chai, Hyunjun Lee, Joseph J. Lim
Jun 5, 2024stat.ML

BEACON: A Bayesian Optimization Inspired Strategy for Efficient Novelty Search

Novelty search (NS) aims to uncover diverse system behaviors through simulation or experiment without requiring a pre-specified scalar objective. This capability is especially relevant to modern discovery problems in chemistry, materials science, and molecular design, where researchers often seek broad coverage of attainable property space rather than a single optimum and where each evaluation may require a costly computation or experiment. For such expensive black-box settings, we propose BEACON, a sample-efficient NS strategy inspired by Bayesian optimization principles. BEACON models the input-to-outcome mapping using multi-output Gaussian processes and selects new inputs by scoring how far plausible posterior outcomes lie from a denoised archive of previously observed outcomes. This gives a distance-based novelty acquisition that accounts for predictive uncertainty and observational noise while operating directly in continuous outcome space, rather than requiring direct optimization over a discretized partition of behaviors. By leveraging efficient posterior sampling together with scalable high-dimensional Gaussian process models, the proposed framework can be extended to settings with large data sets and high-dimensional design variables. We demonstrate BEACON on established benchmark problems together with real-world case studies in materials and molecular discovery. Across these settings, BEACON consistently discovers broader sets of distinct behaviors than several competing baselines under limited evaluation budgets.
Wei-Ting Tang, Ankush Chakrabarty, Joel A. Paulson
Jun 23, 2020stat.ML

Limits of Transfer Learning

Transfer learning involves taking information and insight from one problem domain and applying it to a new problem domain. Although widely used in practice, theory for transfer learning remains less well-developed. To address this, we prove several novel results related to transfer learning, showing the need to carefully select which sets of information to transfer and the need for dependence between transferred information and target problems. Furthermore, we prove how the degree of probabilistic change in an algorithm using transfer learning places an upper bound on the amount of improvement possible. These results build on the algorithmic search framework for machine learning, allowing the results to apply to a wide range of learning problems using transfer.
Jake Williams, Abel Tadesse, Tyler Sam +2
Date pendingcs.LG

Code-to-Harness: Distilling Black-Box Optimizers from Self-Play

Can an agent learn a numerical search strategy through executable practice and then transfer that strategy as text? We study low-budget black-box optimization, where unaided language models remain well below strong classical optimizers. During development, an agent repeatedly writes and evaluates optimizer programs. It then distills the resulting program and practice record once into a 197-word primary Harness A, which is frozen before evaluation. Harness A reduces Gemini Flash regret by 48% in an independent N=30N=30 study (p<.001p<.001), enters the GP-BO performance range on the practice family, and lowers mean regret on all three held-out BBOB landscapes. The same text improves every tested Gemini executor and transfers to Claude Sonnet, reducing regret by 43% and 49% (p.005p\leq.005). An independent end-to-end replication produces Harness B, a different program and text at the same performance tier. The same framework also attains the lowest regret on a sealed YouTube reward-tuning production benchmark. Executable practice is thus a viable way to discover a search policy, and language a portable medium for deploying it.
Yi Wu, Zheng Ren, Zhiyu Hu +8