NeurIPS 2026 论文列表

Hierarchical graph-level tasks that require reasoning over substructures that extend beyond local neighborhoods are posing challenges for standard Graph Neural Networks (GNNs). While graph pooling aims to address this by coarsening graphs into hierarchical representations, existing methods often fail to explicitly preserve the substructures they induce, leading to inconsistent empirical performance. Moreover, the evaluation of such approaches has proved difficult due to the lack of benchmarks with explicit hierarchical structure. We propose Pooled-Substructure-Aware GNNs, an approach to graph pooling that explicitly preserves and processes substructures uncovered by structure-based pooling schemes. We show that this design strengthens pooling in terms of Weisfeiler-Lehman (WL) expressivity. To enable principled evaluation of pooling-based models, we introduce two new synthetic datasets with controllable hierarchical structure and propose a metric to characterize the extent of hierarchical patterns in real-world graph-level benchmarks. On tasks with relevant hierarchical structure, our approach outperforms matched pooling baselines, while remaining competitive on structurally simpler benchmarks.

Due to their simplicity and interpretability, linkage methods are a central class of hierarchical agglomerative clustering (HAC). In particular, representative-based methods, such as centroid and medoid approaches, are appealing because their representatives provide intuitive summaries of the clusters. However, many representative-based linkage methods suffer from important drawbacks, such as high computational cost and the generation of inversions, which limit their broader applicability. We introduce *relaxed-representative clustering*, a principled generalization of representative-based linkages that preserves their interpretability while addressing these limitations. This framework yields (i) RMM*, a quadratic-time variant of the cubic-time Minimax method, and (ii) RC*, an inversion-free variant of the Centroid method whose representatives belong to the input set. On the theoretical side, we prove that for every $k$ our methods are $O(\min\{k,\log n\})$-approximation algorithms for the $k$-center objective. Empirically, experiments on tabular, biological, and textual datasets show that RMM* consistently outperforms several baselines and achieves clustering quality comparable to Minimax at a fraction of the computational cost. Meanwhile, RC* remains competitive with the Centroid method while producing inversion-free dendrograms and interpretable representatives.

Text-code embeddings underpin modern code intelligence systems, but progress in this area is held back by a systemic problem: code retrieval benchmarks routinely treat valid alternative implementations as negatives, making cross-model comparison unstable and depressing measured performance. We document this problem with a detailed analysis of six widely used benchmarks and show that, depending on the dataset, between 44\% and 87\% of items a strong LLM judge marks as relevant are missing from the original labels. To address this, we adopt a unified evaluation protocol in which a single LLM judge re-annotates the top-10 retrieved candidates for every model under a fixed prompt, replacing fragmented benchmark heuristics with a consistent semantic standard. Applying the same idea at training time, we use a smaller LLM-supervised reranker to construct MegaCode, the largest semantically curated dataset for code search to date of 193M positive (text, code) pairs, roughly an order of magnitude larger than prior curated corpora, and train a family of embedding models on it at four scales (0.5B-7B) with contrastive learning. Under a unified LLM-judged protocol, our 0.5B model matches or exceeds all prior open code-retrieval embeddings up to 8B parameters, and our 7B model improves average MRR@10 by 3.5 points over the strongest baseline.

LLM evaluations drive which models get deployed, what safety standards get adopted, which research conclusions get published, and how projections of AI's labor-market impact get made. Yet standard confidence intervals ignore variability from judge model choice, model temperature, and prompt phrasing, producing under-coverage that worsens with more data. The omitted variance can shift results enough to reverse conclusions \citep{baumann2025llmhacking, huang2026dropping}; pipelines that fail to average over it leave the surface that ``benchmark hacking'' exploits \citep{singh2025leaderboard}. This paper decomposes LLM pipeline uncertainty into its sources, distinguishes variance that shrinks with more data from sensitivity to researcher design choices, and uses design-study projections to reduce total evaluation error (TEE). Across the demonstrations, naive standard errors are 40 - 60\% smaller than the TEE-corrected SE. Using Chatbot Arena data, we show naive 95\% CI coverage drops as $n$ grows while TEE-corrected coverage holds at 95\%, and TEE-guided pipelines restrict the benchmark gaming surface from 56 to 32 Elo ($K=27$), below the human-leaderboard baseline. We show further that a small pilot recovers honest CIs and projects which design changes most improve precision. Acting on those projections halves MMLU estimation error against the answer key at equivalent cost, and raises per-match agreement with human votes by 7.9 percentage points on Chatbot Arena.

The advancement of graph-based malware analysis is critically limited by the absence of large-scale datasets that capture the inherent hierarchical structure of software. Existing methods often oversimplify programs into single-level graphs, failing to model the crucial semantic relationship between high-level functional interactions and low-level instruction logic. To bridge this gap, we introduce HiGraph, the largest public hierarchical graph dataset for malware analysis, comprising over 200M Control Flow Graphs (CFGs) nested within 499K Function Call Graphs (FCGs). This two-level representation preserves structural semantics essential for building robust detectors resilient to code obfuscation and malware evolution. We demonstrate HiGraph’s utility through a large-scale analysis that reveals distinct structural properties of benign and malicious software, establishing it as a foundational benchmark for the community. The dataset and tools are publicly available at https://higraph.org.

Heavy-tailed data arise in many domains where rare events carry disproportionate importance, such as imbalanced image datasets, financial returns, and weather extremes. Standard diffusion and flow-matching models typically begin from Gaussian noise or Gaussian source distributions, which yield tractable training targets but provide a poor inductive match for heavy-tailed data. We propose Heavy-Tailed Flow Matching via Random Clocks (HTFM), a framework that portrays heavy-tailed sources as mixtures of clock-conditioned Gaussian sources. Conditioning on a given clock path, the source distribution and flow are Gaussian; marginalizing over the clock gives a Gaussian scale mixture covering Gaussian, $\alpha$-stable, and Student-t families. To make the clock-conditioned vector field practical, we encode the path-valued clock using truncated logsignature features, allowing the velocity field to adapt to the realized conditional space with negligible overhead. Empirically, on 2D imbalanced $\alpha$-stable mixtures, CIFAR10-LT, and HRRR weather fields, HTFM improves mode coverage, sample quality, and tail-statistic recovery over Gaussian flow matching and competitive heavy-tailed baselines, while retaining the low-NFE sampling advantage of flow matching. Moreover, the random-clock formulation further provides a practical tail-control interface: by varying only the clock law or tail parameter, the same architecture can calibrate the ``heaviness'' of generated tails across different distribution families.

Manifold learning is a fundamental task at the core of data analysis and visualisation. It aims to capture the simple underlying structure of complex high-dimensional data by preserving pairwise dissimilarities in low-dimensional embeddings. Traditional methods rely on symmetric Riemannian geometry, thus forcing symmetric dissimilarities and embedding spaces, e.g. Euclidean. However, this discards in practice valuable asymmetric information inherent to the non-uniformity of data samples. We suggest to harness this asymmetry by switching to Finsler geometry, an asymmetric generalisation of Riemannian geometry, and propose a Finsler manifold learning pipeline that constructs asymmetric dissimilarities and embeds in a Finsler space. This greatly broadens the applicability of existing asymmetric embedders beyond traditionally directed data to any data. We also modernise asymmetric embedders by generalising current reference methods to asymmetry, like Finsler t-SNE and Finsler UMAP. On controlled synthetic and large real datasets, we show that our asymmetric pipeline reveals valuable information lost in the traditional pipeline, e.g. density hierarchies, and consistently provides superior quality embeddings than their Euclidean counterparts.

Detecting frequency trend patterns, such as items with sustained growth or decline, is an important and challenging task in high-speed data streams. State-of-the-art solutions require manual tuning of many coupled parameters, while their bloom filters suffer from high false positive rates. In this paper, we propose NeuTrend, a framework that provides accurate and automatic trend detection with high-performance in-network inference. Our key idea is that a lightweight BRNN can learn to classify incoming items as likely trending or non-trending. Thus, it eliminates unqualified items more accurately than a bloom filter and removes the need for manual parameter tuning. The BRNN uses only XNOR and popcount operations. Thus, it aligns with the strict resource constraints of data-plane switches. NeuTrend further introduces an adaptive detection module. The module uses the BRNN confidence scores to automatically tune the growth and decay thresholds. Extensive experiments on real-world datasets show that the learned filter reduces false positive rates by 23\%-44\% and increases effective detector occupancy from 47\% to 70\%. Hence, NeuTrend improves the overall F1 score by 35\%-68\% over existing solutions, and achieves Tbps-level line-rate processing.

Evaluating agents on the growing number of agentic benchmarks is challenging because they often require complex environments and agent integrations. We introduce Harbor Adapters, a unified evaluation infrastructure for agentic benchmarks. Our work makes three contributions. First, we develop benchmark adapters that port more than 80 benchmarks to evaluate arbitrary agents, and validate them through rigorous code review and parity experiments. Second, we conduct a large-scale evaluation of frontier models across 54 benchmarks, enabling a broader analysis of agent capabilities and failure modes than was previously possible. Third, we introduce Harbor-Mix, a curated set of 100 difficult, diverse, and high-quality tasks refined from the adapted benchmarks. Harbor-Mix preserves the challenge and breadth of large-scale agentic evaluations while being affordable to run; the strongest model resolves only 15.6\% of its tasks. We release the adapters, evaluation results, in-depth analysis, and Harbor-Mix as open-source artifacts to support more reliable and comprehensive evaluation of language-model agents.

Aligning autonomous agents with human intent remains a central challenge in modern AI. A key manifestation of this challenge is reward hacking, whereby agents appear successful under the evaluation signal while violating the intended objective. Reward hacking has been observed across a wide range of settings, yet methods for reliably measuring it at scale remain lacking. In this work, we introduce a new evaluation paradigm for measuring reward hacking. Whereas prior studies have primarily analyzed it post hoc by inspecting agent trajectories, we instead embed detectable reward hacking opportunities directly into environments. This makes their exploitation verifiable by design, enabling deterministic and automated measurement of whether and how agents exploit such vulnerabilities. We instantiate this approach in TextArena and release Hack-Verifiable TextArena, a testbed in which reward hacking can be measured reliably. Using this benchmark, we analyze reward hacking behavior across language models in diverse environments and settings.

While Graph Neural Networks (GNNs) have proven highly effective at modeling relational data, pairwise connections cannot fully capture multi-way relationships naturally present in complex real-world systems. In response to this, Topological Deep Learning (TDL) leverages more general combinatorial representations--such as simplicial or cellular complexes--to accommodate higher-order interactions. Existing TDL methods often extend GNNs through Higher-Order Message Passing (HOMP), but face critical scalability challenges due to the steep complexity overhead of propagating messages through combinatorial structures. To overcome this limitation, we propose HOPSE (Higher-Order Positional and Structural Encoder), a framework \emph{free of message passing layers} that uses Hasse graph decompositions to derive efficient and expressive encodings over \emph{arbitrary higher-order domains}. Notably, HOPSE scales linearly with the size of combinatorial representations while preserving the expressive power and permutation equivariance of the HOMP approaches. Experiments on molecular and topological benchmarks show that it matches or surpasses state-of-the-art performance while consistently achieving speedups over HOMP-based models, opening a new path for scalable TDL. The code is available at https://anonymous.4open.science/r/TopoBench-BF89.

Reliable generative AI models critically rely on expert human annotations to evaluate output quality, yet these "gold'' labels are expensive to collect and limited in quantity. Organizations thus often turn to collecting vast but noisy "silver'' labels from crowdsourced workers or vendor annotators as proxies for gold labels. Because gold remains the evaluation target, naively aggregating noisy silver labels may introduce bias, and estimators built on sparsely observed gold labels may have high variance to resolve the model performance gaps that guide practical decisions. Model evaluation has become an ongoing operational practice rather than a one-time exercise, with evaluation rounds repeating across model versions, releases, and content domains. A natural question is whether the previous historical evaluation data can be used to improve each new round of evaluation. We introduce HERO (History Enhanced RObust model evaluation), a novel framework that uses historical data to reduce both bias and variance in model performance evaluation. HERO calibrates silver labelers' performance learned from historical gold annotations, and stabilizes the resulting estimator by anchoring it to covariate information measured with high precision in the historical data. HERO can be broadly applied across multiple common evaluation tasks, and remains valid when only a subset of historical labelers appears in the current round. We establish conditions under which the bias and variance reductions hold, showcase HERO's performance in simulation studies, and demonstrate its effectiveness on real-world model evaluation benchmarking datasets.

Speculative sampling is a widely used method for losslessly accelerating Large Language Model (LLM) inference. State-of-the-art speculative sampling methods (e.g. EAGLE series) use a ``dynamic draft tree'' with drafter temperature implicitly set to $T=0$. Greedy drafts, however, perform poorly as temperature increases. Moreover, we show that naively instantiating the dynamic draft-tree with drafter temperature $T>0$ leads to an incorrect distribution. Fixes exist, but are computationally prohibitive as they require $O(|\mathcal{V}|^k)$ computation, where $\mathcal{V}$ and $k$ denote vocab and number of child nodes. We address these limitations by introducing Gumbo, a new speculative sampling algorithm designed for high-temperature settings that uses only $O(|\mathcal{V}|)$ compute. Gumbo is drafter-invariant in that it does not require the draft distribution during verification. Additionally, Gumbo increases the average acceptance length and speedup by expanding and reranking the dynamic draft tree based on Gumbel scores rather than draft probabilities. At the heart of Gumbo is a multi-draft generalization of the communication-free coupling principles and Gumbel sampling developed by Daliri et al., which is of independent interest. Replacing EAGLE-3's speculative sampler with Gumbo results in up to a +26.7\% increase in speedup at a temperature of 1.0 across four models and five datasets, without altering the draft model or requiring any other code changes.

Georeferenced 3D reconstruction from ground images requires recovering not only the local scene geometry, but also localizing every camera center and 3D point in a geographic coordinate frame. Existing cross-view geo-localization methods are able to estimate the GPS coordinate of a single ground camera, but do not reconstruct dense 3D geometry, while recent feed-forward multi-view 3D reconstruction models predict point maps and camera poses only in a local coordinate frame. We introduce X-VGGT, a feed-forward cross-view geometry transformer that unifies these tasks by jointly processing a set of ground-level images and a georeferenced satellite image to predict ground-view camera poses, dense 3D point maps, and a scene-level transform parameterized by gravity, scale, yaw and translation. This transform projects the local reconstruction into the satellite plane, resulting in the geo-registration of all ground images with the georeferenced satellite image. We further propose an evaluation protocol for this joint task and show that, across multiple cross-view datasets, X-VGGT produces accurate georeferenced reconstructions and outperforms prior cross-view geo-localization and multi-view 3D reconstruction models.

Neural multivariate regression underpins a wide range of domains such as control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features ($ID_H$) and compare it with that of the regression targets ($ID_Y$). Collapsed models exhibit $ID_H < ID_Y$, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain $ID_H > ID_Y$. For the non-collapsed models, performance with respect to $ID_H$ depends on the data quantity and noise levels. From these observations, we identify two regimes—over-compressed and under-compressed—that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression and suggest practical strategies for enhancing generalization.

Several educational domains rely heavily on diagrams and visual cues, yet most existing tutoring datasets are limited to text-only interactions. This limits the development of AI tutors that can teach in visually grounded ways used by human instructors. Thus, we introduce GeoDial, a multimodal tutoring dataset of over 1.3K teacher-student dialogs in the domain of geometry collected from experienced math teachers, where instructional turns are explicitly grounded in diagram highlights. We propose a scalable annotation protocol that integrates dialog acts, visual highlighting, and feedback, enabling fine-grained supervision of both language and visual tutoring behavior. To illustrate the challenges posed by this setting, we fine-tune several vision–language models on GeoDial and evaluate their ability to generate tutoring utterances and diagram highlights. While supervised fine-tuning substantially improves the quality of generated dialog, it struggles to produce accurate diagram highlights, revealing a key limitation of current methods and highlighting the need for approaches that more effectively integrate visual reasoning with pedagogical interaction.

Bayesian Reinforcement Learning (BRL), a subclass of Meta-Reinforcement Learning (Meta-RL), provides a principled framework for generalisation by explicitly incorporating Bayesian task parameters into transition and reward models. However, classical BRL methods assume known forms of transition and reward models. While recent deep BRL methods incorporate model learning to address this, applying neural networks directly to joint data and task parameters necessitates variational inference. This often yields indistinct task representations, compromising the resulting BRL policies. To overcome these limitations, we introduce Generalised Linear Models in Deep Bayesian RL with Learnable Basis Functions (GLiBRL). Our approach features fully tractable Bayesian inference over task parameters and model noise, alongside exact marginal likelihood evaluation for learning transition and reward models. The permutation-invariant nature of exact Bayesian inference in GLiBRL enables seamless integration with both on-policy and off-policy RL algorithms. We further show that GLiBRL admits a closed-form relationship between the $\mathcal{L}_2$ distance of its task representations and empirical kernel-based correspondence between task samples, which is to our knowledge the first such structural result for online deep BRL. GLiBRL is compared against representative and recent Meta-RL methods, and improves state-of-the-art performance on both MuJoCo and MetaWorld benchmarks by up to 1.8$\times$.

Training capable Large Language Model (LLM) agents is critically bottlenecked by the high cost and static nature of real-world interaction data. We address this by introducing GenEnv, a framework that establishes a difficulty-aligned co-evolutionary game between an agent and a scalable, generative environment simulator. Unlike traditional methods that evolve models on static datasets, GenEnv instantiates a dataevolving: the simulator acts as a dynamic curriculum policy, continuously generating tasks specifically tailored to the agent's ``zone of proximal development''. This process is guided by a simple but effective -Curriculum Reward, which aligns task difficulty with the agent's current capabilities. We evaluate \autoenv on five benchmarks, including API-Bank, ALFWorld, BFCL, Bamboogle, and TravelPlanner. Across these tasks, GenEnv improves agent performance by up to 40.3% over 7B baselines and matches or exceeds the average performance of larger models. Compared to Gemini 2.5 Pro-based offline data augmentation, \autoenv achieves better performance while using 3.3 less data. By shifting from static supervision to adaptive simulation, \autoenv provides a data-efficient pathway for scaling agent capabilities.

Linear attention replaces the unbounded cache of softmax attention with a fixed-size recurrent state, reducing sequence mixing to linear time and decoding to constant memory. The hard part is not just what to forget, but how to edit this compressed memory without scrambling existing associations. Delta-rule models subtract the current read before writing a new value, and Kimi Delta Attention (KDA) sharpens forgetting with channel-wise decay. But the active edit still uses a single scalar gate to control two different things: how much old content to erase on the key side and how much new content to commit on the value side. We introduce Gated DeltaNet-2, which generalizes both Gated DeltaNet and KDA by inheriting adaptive forgetting and channel-wise decay while addressing their shared limitation, the scalar tie between erasing and writing. Gated Delta Rule-2 separates these roles with a channel-wise erase gate $\boldsymbol{b}_t$ and a channel-wise write gate $\boldsymbol{w}_t$, reducing to KDA when both gates collapse to the same scalar and to Gated DeltaNet when the decay also collapses. We derive a fast-weight update view, a chunkwise WY algorithm with channel-wise decay absorbed into asymmetric erase factors, and a gate-aware backward pass that preserves efficient parallel training. At 1.3B parameters trained on 100B FineWeb-Edu tokens, Gated DeltaNet-2 achieves the strongest overall results among Mamba-2, Gated DeltaNet, KDA, and Mamba-3 variants across language modeling, commonsense reasoning, and retrieval. Its advantage is most pronounced on long-context RULER needle-in-a-haystack benchmarks, where it improves the evaluated multi-key retrieval setting and remains strong in both recurrent and hybrid settings.