AI Brief / Topic
机器学习
机器学习核心方向：监督/无监督/自监督学习、深度学习架构、训练方法、泛化理论与模型评估。
- 公开内容
- 36
- 最近更新
- 2026/8/12
最近内容
按发布日期倒序arXiv / 2026/8/12
Graph Neural Networks (GNNs) achieve strong predictive performance on graph-structured data across domains such as chemistry, biology, and network analysis, yet they provide no intrinsic explanation of their predictions. This limits their adoption in high-stakes and safety-critical settings. Counterfactual explanations address this by revealing the minimal structural modifications that would change a model's prediction. On graphs, however, such a modification is hard to produce. The search space is discrete and combinatorial, and a valid answer must respect categorical node and edge types together with domain rules such as chemical valency in the case of molecular graphs. Existing explainers give up one of two things. Either edits are not held on the data manifold, or the search does not span the full edit space. We propose Graph Diffusion Counterfactual Explanation via Inversion (GDCE-I), which gives up neither. A discrete denoising diffusion model with a novel discrete inversion scheme enables distribution-aware edits leveraging the whole domain edit space. We further address the incomplete and inconsistent evaluation of graph counterfactuals by deriving a framework of explanation desiderata and applying it to every method under one shared protocol. Across four benchmarks, GDCE-I outperforms related work by a large margin on the defined framework. For the molecular domain, we further qualitatively show that GDCE-I attains interpretable in-distribution solutions.
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- arXiv 2608.12083
arXiv / 2026/8/12
Learning world models from offline trajectories enables agents to accomplish different tasks through planning. Object-centric (OC) representations, which decompose a scene into a set of slots that bind to its objects, have been proposed as an inductive bias for world models that are more sample-efficient and generalize better. Yet prior object-centric world models (OCWMs) take the slot encoder as given and evaluate only in-distribution, leaving open whether the object-centric bias actually delivers for planning and what within the OCWM drives it. We conduct a controlled study of OCWMs for visual model-predictive control along two axes: object-centric representation quality and generalization under distribution shift relative to scene-centric models. We find that (i) planning success correlates positively with unsupervised slot-quality metrics (FG-ARI, mBO), though the gains saturate at high slot quality; (ii) with well-bound slots, the auxiliary proprioception inputs and masking inductive bias that prior methods relied on become unnecessary; and (iii) under unseen distribution shifts, the OCWM with well-bound slots is more robust overall than the end-to-end trained scene-centric LeWM, while DINO-WM, built on similar frozen pretrained features, remains competitive -- pointing to pretrained features as a key contributor to robustness.
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- arXiv 2608.12078
arXiv / 2026/8/12
We invert the typical formulation of sketch generation: instead of drawing strokes in order, we predict a 2D field that defines the order in which strokes are drawn. We use a pretrained latent flow-matching transformer to supply the image prior to predict an intermediate representation, while training the VAE's decoder to predict the order field, stroke mask, and stroke segmentation. We vectorize the predicted segmentation into polylines and sort them by the field, producing an ordered vector sketch. Our model can predict an ordered vector sketch from a text description or derender an image into ordered vectors; for either, it follows text instructions specifying the order of drawing.
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- arXiv 2608.12064
arXiv / 2026/8/12
Feature selection is one of the most important and fundamental tasks in data mining, tackled by a family of methods with an established set of evaluation techniques to measure the quality of a specific method. Most of the methods commonly used for the unsupervised evaluation of feature selection algorithms suffer from critical design flaws which question their unsupervised nature. In this paper, we provide a critical discussion on the established allegedly unsupervised evaluation techniques, and shed light on the reasons why they are not truly unsupervised but, at best, supervised evaluation under an unsupervised downstream task. We also propose a novel, truly unsupervised evaluation framework to measure the quality of the feature selection algorithms without any form of information about the labels. The proposed framework utilizes unsupervised Principal Component Analysis, and optimal transport to measure the quality of the feature selection methods in a truly unsupervised manner.
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- arXiv 2608.12057
arXiv / 2026/8/12
Acceleration for deterministic root-finding problems has been extensively studied in recent years; specifically, the anchor-based, or Halpern-type methods achieve optimal convergence rates with respect to the operator norm. However, acceleration via these methods does not directly carry over to stochastic setting due to accumulation of errors, unless one enforces diminishing variance via increasing batch sizes or variance reduction techniques. In this work, we show that another class of acceleration, namely the dual-anchor mechanism, extends to the stochastic setting without such error accumulation, in contrast to anchor-based algorithms. Consequently, we cleanly achieve $O(ε^{-3})$ complexity with iteration-independent batch size, without any variance reduction or double-loop recursive regularization, for stochastic root-finding (resp. fixed-point) problems with cocoercivity (resp. square-nonexpansivity) in expectation. For strongly monotone operators, the same algorithm attains a sharper $\widetilde{O} (ε^{-2})$ complexity, nearly matching the lower bound in terms of $ε$-dependence.
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- arXiv 2608.12043
arXiv / 2026/8/12
Modern stochastic predictors can model rich, multi-modal outcome distributions. However, this expressive power comes with challenges in ensuring robust predictions $-$ a critical requirement in safety-critical domains. Randomized smoothing is a leading technique for improving robustness, particularly against adversarial perturbations. Yet, in stochastic multi-modal regression settings, randomized smoothing often fails due to mode collapse, yielding averaged predictions that do not reflect the underlying distribution. To address this limitation, we propose clustered $α$-smoothing, a framework that (1) partitions noisy samples using an arbitrary clustering algorithm, (2) applies $α$-smoothing locally within each cluster, and (3) combines the resulting predictions into a mixture distribution. By interpreting the smoothing distribution as a mixture of $α$-smoothers, we derive a lower bound on the probability that the smoothed prediction lies within a union of compact regions corresponding to distinct modes. We empirically evaluate our framework on two benchmarks, demonstrating substantial improvements over state-of-the-art methods. In stochastic trajectory prediction on a driving simulator dataset, our approach achieves, on average, a $27\%$ lower Wasserstein distance to the ground-truth distribution compared to $α$-smoothing. In quadrotor control, where modes correspond to distinct feasible paths to a target, our method reduces the collision rate by $81\%$ relative to the state-of-the-art randomized smoothing.
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- arXiv 2608.12037
arXiv / 2026/8/12
AI models have achieved remarkable success across diverse domains, yet the mechanisms underlying their capabilities and the risks they may pose remain poorly understood. As AI development becomes faster and increasingly automated, mechanistic exploration remains largely manual, widening the gap between what models can do and our ability to understand and control them. To bridge this gap, we introduce Mechanist, an agentic system that uses AI as a scientific instrument for the autonomous discovery of mechanisms underlying AI intelligence. To support autonomous mechanistic discovery, we construct an interpretability-focused knowledge graph of approximately 13,000 papers and integrate it with a multidisciplinary database of 43 million papers spanning 26 fields. We further curate a library of 32 foundational methods for mechanism analysis, causal intervention, and validation. Compared with Claude Code and existing AI-scientist systems, Mechanist generates more valuable mechanism hypotheses and executes experiments more reliably. Mechanist also demonstrates a progression from discovering model behaviors to explaining and controlling AI models. Specifically, Mechanist first uncovers a counterintuitive safety risk in scientific laboratories, showing that unsafe traits can transfer across modalities through apparently safe training data. Mechanist then develops a mechanism theory of belief, revealing how models represent world knowledge, form beliefs, infer the beliefs of others, and how these mechanisms emerge during pretraining. Finally, Mechanist translates these mechanistic insights into practical interventions that improve model performance across diverse scenarios and steer scientific foundation models toward generating DNA sequences with specified properties.
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- arXiv 2608.12036
arXiv / 2026/8/12
Pairwise constrained clustering typically relies on hard must-link/cannot-link labels, whereas realistic pairwise supervision may be real-valued and entangle intrinsic ambiguity, expert judgment, and stochastic corruption. Existing deep constrained clustering (DCC) methods mainly target hard, expert-agnostic constraints, treating soft labels mostly numerically rather than semantically. We formalize this setting as uncertainty-aware probabilistic constrained clustering (UPCC), defining a canonical aleatoric target through a heterogeneous observation process and analyzing its conditional identifiability. We introduce ProbPair, an angular pairwise objective for probabilistic relations, and build ECI-PP, an estimator--corrector--integrator framework that refines imperfect supervision via belief estimation, correction, and reliability-aware integration. Across challenging probabilistic supervision settings, experiments on diverse benchmarks show that ECI-PP outperforms state-of-the-art DCC methods and remains robust with a shared default configuration.
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- arXiv 2608.12027
arXiv / 2026/8/12
Post-training quantization pipelines routinely leave the softmax output layer in high precision. Yet in small LLMs with modern vocabularies, the head holds 15--30\% of all parameters, so a nominal ``2-bit'' model with an fp16 head can store several times as many bits per weight. We pose softmax-layer quantization as a rate-distortion problem under the KL divergence between the original and quantized output distributions. A second-order analysis reveals a class-aware geometry: quantization error is weighted jointly by feature covariance and class-specific softmax curvature. A separability approximation replaces the $Kn\times Kn$ Cholesky with one $n\times n$ factorization rescaled per class, making the lattice encodable by successive interference cancellation, with both statistics from a single forward pass. The resulting method, SoftWater, gives fine grids to frequent, low-variance classes and coarse grids to rare ones, a large gap under Zipfian token distributions. Across five models from 1B to 32B, SoftWater outperforms the released WaterSIC quantizer (near-optimal under linear-layer WMSE but not output KL) at matched head rates on 59 of 60 test points, using none of that pipeline's refinements and cutting head-induced KL by $6.5\times$--$8.3\times$ at 2 bits. On Llama-3.2-1B-Instruct with quantized bodies, a 2-bit head removes 45--60\% of stored bytes for a $2.9$--$3.7\%$ perplexity increase. Because the class-side statistic comes from calibration data, matching calibration to the deployment domain gives the lowest KL on that domain throughout. On a tied model, a 4-bit head is near-lossless and a 2-bit head costs under 4\% perplexity, making head quantization of such models practical.
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- arXiv 2608.12026
arXiv / 2026/8/12
Equivariant Neural Networks (ENNs) have empowered numerous applications in scientific fields. Despite their remarkable capacity for representing geometric structures, ENNs suffer from degraded expressivity when processing symmetric inputs: the output representations are invariant to transformations that extend beyond the input's symmetries. The mathematical essence of this phenomenon is that a symmetric input, after being processed by an equivariant map, experiences an increase in symmetry. While prior research has documented symmetry increase in specific cases, a rigorous understanding of its underlying causes and general reduction strategies remains lacking. In this paper, we provide a detailed and in-depth characterization of symmetry increase together with a principled framework for its reduction: (i) For any given feature space and input symmetry group, we prove that the increased symmetry admits an infimum determined by the structure of the feature space; (ii) Building on this foundation, we develop a computable algorithm to derive this infimum, and propose practical guidelines for feature design to prevent harmful symmetry increases. (iii) Under standard regularity assumptions, we demonstrate that for most equivariant maps, our guidelines effectively reduce symmetry increase. To complement our theoretical findings, we provide visualizations and experiments on both synthetic datasets and the real-world QM9 dataset. The results validate our theoretical predictions.
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- arXiv 2608.12010
arXiv / 2026/8/12
Bregman proximal stochastic gradient (BPSG) methods bring variance-reduced composite optimization to objectives whose geometry is poorly captured by Euclidean smoothness. Their performance, however, remains sensitive to the step size: raw stochastic curvature estimates can fluctuate sharply, whereas line searches add repeated proximal evaluations. We introduce Ada-BPSG, a line-search-free BPSG method that couples the SAGA gradient table with a stabilized Barzilai--Borwein (BB) candidate. A mediant aggregates incremental secant information so that nearly singular local ratios receive little weight, and an explicit safeguard translates the resulting curvature estimate into the bounded step-size sequence required for convergence. This design yields a direct analytical chain from relative smoothness and component-wise variance control to convergence in finite-dimensional normed spaces. We prove an $O(n/K)$ ergodic rate for convex objectives, a restarted linear rate under relative quadratic growth, and an $O(1/K)$ bound for a Bregman proximal residual in the nonconvex setting. On logistic regression and sparse nonnegative matrix factorization, Ada-BPSG combines low objective values with substantially less sensitivity to the initial step size than standard variance-reduced baselines, while avoiding line search.
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- arXiv 2608.12009
arXiv / 2026/8/12
Consumer reviews play an important role in shaping brand perception and business strategies, particularly in service-driven industries such as retail coffee. This study presents a comparative sentiment analysis framework for Starbucks customer reviews using classical machine learning and deep learning approaches. The dataset, collected from ConsumerAffairs, contains more than 700 reviews and was analyzed through preprocessing and exploratory data analysis to identify temporal and geographic patterns. Sentiment labels were generated by binarizing star ratings, with ratings of 4 and 5 classified as positive and ratings of 1 to 3 as negative. The resulting dataset was substantially imbalanced toward negative sentiment. Five machine learning classifiers, including Logistic Regression, Support Vector Machine (SVM), Decision Tree, Random Forest, and Naive Bayes, were evaluated alongside five deep learning models: LSTM, RNN, Bidirectional LSTM, GRU, and CNN. Model performance was assessed using accuracy, precision, recall, and F1-score. SVM achieved the highest accuracy among the machine learning models at 91.0 percent, while Bidirectional LSTM showed the strongest performance among the deep learning models and demonstrated good generalization on unseen data. The findings also show that class imbalance negatively affected positive sentiment recall across several models. Overall, this study provides a comparative evaluation of machine learning and deep learning approaches for real-world consumer sentiment analysis and highlights the importance of appropriate model selection and preprocessing for customer experience analytics in the retail coffee sector.
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- arXiv 2608.12007