让下一篇重要论文，不再错过。

Graph similarity computation is an important task in graph mining with many real-world applications, such as chemical compound analysis, program dependence comparison, and social network analysis. The problem is computationally challenging: Graph Edit Distance (GED) and Maximum Common Subgraph (MCS), which quantify the distance between graphs and identify their largest shared subgraph, respectively, are NP-hard to compute exactly. To address these computational challenges, Graph Neural Networks (GNNs) have been applied to this problem. However, existing GNN-based approaches have primarily focused on small-scale graph datasets, while scalability to larger scales remains underexplored. In this work, we propose FiLSim, a scalable GNN-based framework, and investigate whether a simplified GNN pipeline can maintain competitive performance on standard benchmarks while scaling to large graphs. We additionally propose a sequential graph-editing strategy to construct large-scale graph datasets with reliable GED labels to evaluate scalability. The proposed framework is evaluated on four benchmark datasets and four newly created large-scale datasets, demonstrating its effectiveness and scalability. FiLSim remains accurate on graphs with more than 150{,}000 nodes, where the baseline methods run out of memory or fail to learn, and scores all test pairs within seconds on a single GPU.

Laya answers typed multiple-choice questions in one forward pass by scoring a hidden state at one [MASK] marker per option. We re-engineer the checkpoint (421M parameters; a 2-layer option head with no positional tensor; a documented but unused parallel layout) and test whether the answer depends on where an option is listed. Presenting 951 Qwen-verified questions under every cyclic rotation of their options (or six random permutations for 12 options), the released checkpoint changes its answer for 25.8% [22.9-28.7] of questions (19.7% on the 605 English-language items alone); accuracy with the gold option first versus last differs by 10.1 points, and the flips concentrate where the model's own confidence is low (54% versus 8% across confidence terciles). Fine-tuning with Laya's trainer on 2,818 teacher-verified rows with option shuffling cuts the flip rate to 7.2%; the identical rows without shuffling give 11.4%, so shuffling is responsible for 4.2 points of the improvement. A confidence-weighted vote over orderings gives 69.7% against 69.1% for a single base pass at 4.1x the compute. Labels are LLM-made and the test sets are teacher-filtered. We also fine-tune with the authors' parallel layout on the same rows: flip rate 0.5%.

Test-time scaling improves the performance of a fixed model by spending more computation at inference. There are two common ways to spend it on agents when a verifier can score every attempt. Best-of-N sampling runs many independent agents and keeps the best result but saturates quickly. One large team of collaborating agents can score higher but stops improving as it grows. Can we get the best of both? Our method, parallel agent teams, does so by sampling many small teams in parallel and keeping the best team's result. We test it on 12 long-horizon tasks from GPU kernels and formal proofs to exploit development. With a 27B model and a budget of 100 agents, parallel teams of ten beat parallel agents on 10 of 12 tasks and beat one team of 100 on all four tasks where we ran such large teams. At equal dollar cost the same parallel teams beat a frontier model on half the tasks. A simple statistical model shows that individual agents lose because their many samples have a low mean and that one large team loses because a single sample gets no gain from variance. Sampling many small teams in parallel balances a high mean with the gain from variance. Parallel agent teams thus offer a more effective way to scale test-time compute.

Editing a video stream in real time, without access to future frames, is essential for interactive applications. Existing training-free video editing methods, however, assume full offline access to the entire sequence, while streaming approaches either rely on additional training or are limited to specific editing techniques. We show that this limitation can be removed by analyzing the self-attention dynamics of DMD-distilled autoregressive (AR) video diffusion models. We uncover a key asymmetry: queries and keys remain stable and aligned with their source counterparts across denoising timesteps, while values diverge and encode the evolving content. Inherited from the non-distilled bidirectional teacher, this asymmetry is strongest at high noise, where few-step streaming models operate. The resulting mechanism is simple: a single forward pass suffices to capture source identity in the value features, which can be reused throughout generation. Starting from pure Gaussian noise and injecting only these source values reconstructs the input with fidelity matching or surpassing inversion-based methods, effectively eliminating inversion. Based on this insight, we introduce AR-Edit, a training-free, inversion-free method that caches source values once and selectively injects them during denoising. Across multiple AR backbones, AR-Edit enables real-time streaming editing with superior source preservation and tonal fidelity at minimal overhead.

When should a robot look at the cup, and when at the portafilter? Spatial-reasoning benchmarks evaluate whether a model can describe a scene, but manipulation needs something more specific: the ability to acquire the particular evidence that makes the current command executable. A view that is informative for one task can be useless for another, even at the same workstation. We introduce Seeing What Matters, a benchmark for task-conditioned actionable spatial belief in simulated tabletop manipulation. Across three domains--coffee workstation, drawer/cabinet, and microwave/appliance--the benchmark provides 860 frozen evaluation cases; expanding across methods, budgets, and inference repeats yields more than 115,000 evaluator episodes under two protocols: closed-loop actionability and same-object functional out-of-distribution generalization. Each case pairs a set of candidate RGB views with a manipulation command, shared scripted skills, and hidden postconditions, so the benchmark directly measures whether a view-selection policy acquires the observations its command actually needs. We also provide a diagnostic reference pipeline that maintains a spatial-functional belief state and ranks views by missing evidence. At primary budget settings, this pipeline reaches 98.8% closed-loop and 98.9% functional-OOD success; ablating the functional or command-binding components collapses performance to near zero. Seven vision-language models, evaluated on the same cases, reach only 26-43%. Replacing the reference pipeline's coverage metadata with frozen RGB-derived scores preserves 98.5%/98.9% success; shuffling the visual scores collapses it to 15%/11%, confirming that the result depends on image content. These gaps suggest that spatial belief for manipulation should be evaluated not by scene-level completeness, but by whether it acquires the evidence the current command requires.

At billion scale, approximate nearest neighbor search (ANNS) often becomes an out-of-core problem: the full vector collection and index structures exceed memory capacity, making query performance dominated by SSD accesses and DRAM-SSD data movement. Existing systems struggle to strike a balance between accuracy and efficiency: physical-overlap methods replicate vectors or index entries across partitions, enlarging the SSD-resident index and incurring extra I/O; quantization-based methods reduce memory usage, but their approximate distances are less reliable and often require costly raw-vector reranking from SSD to preserve recall. We present GANNS (Graph-Abstraction ANNS), a hierarchical out-of-core ANNS engine that improves accuracy and I/O efficiency simultaneously. GANNS stores each cluster as a disjoint SSD partition with scale-aware indexes, while a memory-resident graph abstraction provides logical overlap before SSD access. During serving, GANNS uses query hotness and cluster priorities from the graph abstraction to prune low-value clusters and improve access locality. Across five datasets under strict memory constraints, GANNS delivers representative QPS improvements of 2.0--4.7x over state-of-the-art baselines, while preserving accuracy.

Representations are routinely used across machine learning, psychology, and neuroscience to draw inferences about the computations of biological and artificial systems. Such inferences presume that the geometry of these representations reflects the computation being performed. For artificial neural networks, however, the extent to which the function a network computes constrains this geometry remains unclear. One key obstacle is that these networks admit parameter symmetries: changes in parameterization that preserve function exactly while reshaping representational geometry. Here, we show that a broad class of parameter symmetries acts on representations through just three primitive feature transformations: addition, duplication, and scaling. This feature-level characterization yields a closed-form decomposition of representational geometry into essential and auxiliary components, revealing how representational degeneracy can exist without and grows with overparameterization even when function is held fixed. Finally, we establish conditions under which implementation-level selection rules resolve this degeneracy, yielding identifiable geometries in which features are weighted according to their contributions to the network's function. Together, our results delineate when representational geometry can support inferences about computation, and when it cannot.

Ample empirical evidence in deep neural network training suggests that a variety of optimizers tend to find nearly global optima. In this article, we adopt the reversed perspective that convergence to an arbitrary point is assumed rather than proven, focusing on the consequences of this assumption. From this viewpoint, in line with recent advances on the edge-of-stability phenomenon, we argue that different optimizers effectively act as eigenvalue filters determined by their hyperparameters. Specifically, the standard gradient descent method inherently avoids the sharpest minima, whereas Sharpness-Aware Minimization (SAM) algorithms go even further by actively favoring wider basins. Inspired by these insights, we propose two novel algorithms that exhibit enhanced eigenvalue filtering, effectively promoting wider minima. Our theoretical analysis leverages a generalized Hadamard--Perron stable manifold theorem and applies to general semialgebraic $C^2$ functions, without requiring additional non-degeneracy conditions or global Lipschitz bound assumptions. We support our conclusions with numerical experiments on feed-forward neural networks.

Despite an ever-increasing interest in topological deep learning models that target higher-order datasets, there is no consensus on how to evaluate such models. This is exacerbated by the fact that topological objects permit operations, such as structural refinements, that are not appropriate for graph data. In this work, we extend MANTRA, a benchmark dataset containing manifold triangulations, to a larger class of manifolds with more diverse homeomorphism types. We show that, contrary to prior claims, graph neural networks can saturate the benchmark, while higher-order message passing methods lag behind. However, we find that this is contingent on the right representation and feature assignment, emphasizing their importance in baseline models. Hence, we present a novel evaluation protocol based on representational diversity and triangulation refinement. Even when including refinement-like changes in the training data, existing models fail to generalize beyond the combinatorial structure of the data. This points towards a research gap in developing models that understand topological structure independent of scale. Our work thus provides the necessary scaffolding to evaluate future models and enable the development of topology-aware inductive bias

Large language models have demonstrated impressive retrieval-augmented capabilities. However, a crucial area remains underexplored: their ability to appropriately adapt responses to the certainty of the retrieved information. It is a limitation with real consequences in high-stakes domains like medicine and finance. We evaluate eight LLMs on their context-certainty obedience, measuring how well they adjust responses to match expressed context certainty. Our analysis reveals systematic limitations: LLMs fail to reproduce their prior outputs after observing an uncertain context, respond to expressed certainties in a distorted way, and overrely on complex contexts. To address these, we propose an interaction strategy combining prior reminders (feeding the model's own context-free answer back into the prompt), context-certainty recalibration, and context simplification. This approach reduces obedience errors by 25% on average, without modifying model weights, demonstrating the efficacy of interaction design in enhancing LLM reliability. Our contributions include a principled evaluation metric, empirical insights into LLMs' uncertainty handling, and a portable strategy to improve context-certainty obedience across diverse LLMs.

Multimodal Large Language Models (MLLMs) require continuous factual updates to stay current, yet lifelong knowledge editing remains a daunting challenge. The primary obstacle is the severe Locality Erosion and Catastrophic Forgetting, where sequential edits inevitably interfere with pre-trained capabilities and prior updates. In this paper, we propose \textbf{ROSE}, a \textbf{R}isk-aware \textbf{O}rthogonal \textbf{S}ubspace navigation framework for lifelong knowledge \textbf{E}diting. ROSE addresses forgetting by aiming to restrict parameter updates to the orthogonal complement of previously edited subspaces. Crucially, it introduces a risk-guided mechanism that utilizes a dynamically computed risk mask to safeguard specific factual parameter subspaces essential for model stability. During inference, ROSE employs a multi-granularity knowledge integration strategy, featuring prototype-anchored semantic gating and perturbation-driven subspace fusion to precisely activate edited knowledge for relevant queries while limiting interference on unrelated inputs. Comprehensive experiments on two prominent multimodal benchmarks show that ROSE is competitive with state-of-the-art approaches across five key metrics, while maintaining outstanding stability over $1,000$ sequential updates. Our code is available at https://github.com/sunlitsong/ROSE.

Operations research practitioners typically tackle NP-hard combinatorial problems using large neighborhood search (LNS), a scalable heuristic that iteratively refines a current solution by locally re-optimizing subsets of its variables. In contrast, most existing approaches for integrating combinatorial optimization layers into neural networks still assume access to an exact global solution, which is computationally intractable. We bridge this gap by introducing regularized LNS (RLNS). By regularizing or perturbing local subproblems, we turn the LNS heuristic into an efficient MCMC sampler over the combinatorial set of feasible solutions, with associated Fenchel-Young losses. Under entropic regularization, we prove that RLNS performs exact block Gibbs sampling. Furthermore, adjusting the number of RLNS iterations allows us to interpolate between pseudolikelihood and exact maximum likelihood estimation, for end-to-end learning without global solvers. We demonstrate our approach on $k$-subset selection, generalized assignment, and stochastic vehicle scheduling problems.

Large language model (LLM) agents coordinate through conversation, and the same message can be phrased in simpler or more complex language, bluntly or politely. We test whether such differences change how other agents judge and act, using the LURK Werewolf framework, which separates each utterance's speech-act predicate from its natural-language realization. We rewrite only the realization, check that the game content is preserved, and replay each game day from saved checkpoints against a re-sampled control. We vary linguistic range consistently across a speaker's messages and politeness strategy per utterance. Across 30 games and 4,335 replays, neither manipulation changes the trust other agents place in the speaker, and no effect on votes or night actions survives correction for multiple comparisons; the largest uncorrected effect is that shifting range away from a neutral paraphrase changes about 4 percentage points more of the other players' votes. In natural play, 88% of face-threatening speech is bald on-record regardless of role.

Probably Approximately Correct (PAC) bounds on the generalization error (the difference between the empirical prediction error computed on the training data and its expectation) are an established tool in statistical machine learning, and there have been several extensions of these bounds to dynamical systems. In parallel, in recent years, there has been growing interest in finite-sample bounds for parameter estimation error in system identification. The latter bounds tend to be algorithm-specific, relying on reformulating the identification algorithm as a least-squares regression problem. This is in contrast to classical PAC bounds, which are algorithm-agnostic and can be applied to any identification algorithm based on minimizing a cost function involving the empirical loss. In this paper, we show how oracle bounds derived from PAC bounds can be used to derive finite-sample bounds for dynamical systems. As an illustration of this approach, we present finite-sample parameter-estimation bounds for linear and bilinear systems with bounded inputs and noise. These bounds apply to identification algorithms based on minimizing a regularized empirical loss function. The key ingredient is to establish an oracle inequality, i.e., an inequality between the true prediction error of the learned model and the minimum achievable true prediction error, and then use either the convexity of the true loss or system-theoretic properties of the loss function to derive bounds on the parameter estimation error. We also analyze the rates of the obtained bounds and compare them with those of classical asymptotic results.

Chain-of-thought (CoT) reasoning has emerged as a powerful paradigm for extending the computational capabilities of transformer-based models. A growing body of recent work has begun to uncover the fine-grained computational power of transformers augmented with CoT, as well as their connections to classical complexity theory. In this work, we advance this line of research by establishing the first hierarchy theorem for CoT-based computation. Our main result shows that for any reasonable resource bound $r(n) \geq n$ and any $\varepsilon > 0$, \[ \mathrm{CoT}(r(n)) \subsetneq \mathrm{CoT}(r(n)^{1+\varepsilon}), \] where $\mathrm{CoT}(r(n))$ denotes the class of decision problems solvable by transformers using $O(r(n))$ CoT reasoning steps on inputs of length $n$. Our result shows that increasing the number of CoT reasoning steps provably yields strictly greater computational power, establishing CoT steps as a fundamental resource in transformer-based computation. Unlike classical hierarchy theorems, which are typically proved via diagonalization, our approach leverages known coarse-grained simulations between CoT-augmented transformers and Turing machines in both directions. Building on these connections, we adapt the classical padding technique from complexity theory to this setting to obtain a tight hierarchy. A key technical contribution of our work is the implementation of padding within the transformer-based CoT model.

The success of modern score-based generative models is largely driven by diffusion-based training, which learns a collection of time-indexed score fields corresponding to progressively noisier versions of the data distribution. While such models achieve impressive sample quality, leveraging them for sound probabilistic inference---particularly sampling from arbitrary conditionals of the model---remains challenging. This difficulty arises because conditioning information is only available for clean data and not for the higher noise levels required to generate exact conditional samples. In this paper, we introduce DIffusion-free SCOre matching (DISCO), a principled approach that sidesteps the need for time-dependent score fields altogether. Our method is based on an objective that, while reminiscent of diffusion-based training, estimates only a single score of the (slightly perturbed) data distribution, for which the exact conditional score is readily obtained. In experiments, DISCO is competitive with state-of-the-art diffusion models in terms of sample quality. More importantly, DISCO yields a more faithful representation of the underlying data distribution and---crucially---enables accurate sampling from arbitrary conditionals, outperforming standard heuristic samplers. This capability opens the door to principled and flexible probabilistic reasoning with score-based models.

Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, message passing built only from exactly equivariant operations can have restricted practical expressiveness at a fixed representation degree. We introduce the Equivariant Spherical Transformer (EST), a plug-and-play module that applies Transformer attention to spherical spatial representations obtained from group representations. EST explicitly mixes information across sampled orientations, unlike prior orientation-wise spherical operations, while retaining a strong approximate equivariant inductive bias through near-uniform spherical sampling. As demonstrated by our experiments on challenging benchmarks like OC20, MPtrj and QM9, EST-based models achieve state-of-the-art performance. For the complex molecular systems within OC20, small models empowered by EST can outperform some larger models and those using additional data. We characterize the ideal closed-domain condition under which the continuous operation is exactly equivariant and empirically quantify the finite-sampling accuracy--equivariance--memory trade-off used in practice.

Extracting discriminative features from laser-induced breakdown spectroscopy (LIBS) spectra is important for the classification of complex biological samples. This study evaluates continuous wavelet transform (CWT)-based spectral peak extraction for distinguishing human plasma samples labeled as SARS-CoV-2-positive or negative. Plasma specimens from 181 individuals, comprising 53 positive samples and 128 negative controls, were deposited as 5 μL droplets on silicon substrates and dried before analysis. Spectra were acquired using a nanosecond Nd:YAG laser operating at 1064 nm, with 100 single-shot measurements collected per specimen and averaged after intensity-based outlier rejection. CWT-based peak detection was coupled with a support vector machine (SVM) classifier. The reported leave-one-out evaluation yielded an accuracy of 93.00%, sensitivity of 94.67%, and specificity of 91.61%; these estimates remain provisional pending reconciliation with specimen-level predictions. Features identified by the CWT pipeline included emission lines assigned to Ca II, K I, and N I. The workflow provides a basis for examining spectral features associated with the studied plasma groups. Independent validation and assessment of specimen, substrate, and acquisition-related variability are required to establish generalizability and diagnostic relevance.

We introduce Multi-scale Closing Index (MCI), a new dissimilarity measure for evaluating the alignment of two 2D point sets. MCI is bounded between 0 and 1 and is based on multiscale mathematical morphology operations, with smaller values indicating greater structural agreement. The measure was motivated by the need to assess the quality of registration between point sets representing cell populations in biological images. To evaluate its behaviour under controlled conditions, we generated synthetic point clouds from Perlin-noise-based spatial structures, following established approaches for simulating biologically plausible spatial organization. We assessed MCI between those point clouds and different transformed versions, obtained by local perturbation, point removal, translation, rotation and addition of impulsive noise. Across these experiments, the dissimilarity MCI increased gradually and consistently with perturbation severity, while showing a clear discontinuity between clouds originating from the same underlying spatial structure and point clouds generated from different structures. We further compared MCI with commonly used point-set distances, including Hausdorff-based measures and Sliced Wasserstein distance. These experiments show the ability of MCI to capture structural agreement and quantify deviations between point sets, highlighting its potential as a complementary metric for evaluating two-dimensional point-set registration.

Shallow-water UAV imagery provides centimeter-scale observations of benthic environments, but water-induced distortions complicate interpretation. To our knowledge, we present the first systematic zero-shot benchmark of unified multimodal large language models (MLLMs) for both assessing water-induced distortions and restoring shallow-water imagery within the same model framework. We evaluate five open-weight unified MLLMs with frozen pretrained weights and without access to paired reference images or descriptions of the true seabed. The benchmark contains 1,000 image pairs: 600 semi-synthetic UAV scenes created by applying synthetic water distortions to real shallow-water imagery and 400 fully synthetic through-water scenes. Three independent human annotations cover five distortion types. We evaluate four assessment prompts (P0-P3), from direct instruction to structured task decomposition, on all 1,000 images and four diagnosis-guided restoration prompts (R0-R3) on a common 100-image subset. Assessment varies substantially by model and prompt, with systematic prediction biases and a best pooled balanced accuracy of 0.654 for distortion presence. The best pooled PSNR gain is +0.255 dB, no unified MLLM improves pooled LPIPS, and some outputs alter scene structure or hallucinate content. Two restoration-only baselines also show limited transfer: InstructIR achieves a pooled PSNR gain of +0.040 dB, while PromptFix degrades all four pooled metrics under every prompt. These results show that recognizing shallow-water degradation does not imply reliable physical restoration and provide a reproducible baseline for future work.