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 Learning Graphical Models


Revealing Bias Formation in Deep Neural Networks Through the Geometric Mechanisms of Human Visual Decoupling

arXiv.org Artificial Intelligence

Deep neural networks (DNNs) often exhibit biases toward certain categories during object recognition, even under balanced training data conditions. The intrinsic mechanisms underlying these biases remain unclear. Inspired by the human visual system, which decouples object manifolds through hierarchical processing to achieve object recognition, we propose a geometric analysis framework linking the geometric complexity of class-specific perceptual manifolds in DNNs to model bias. Our findings reveal that differences in geometric complexity can lead to varying recognition capabilities across categories, introducing biases. To support this analysis, we present the Perceptual-Manifold-Geometry library, designed for calculating the geometric properties of perceptual manifolds.


Atom of Thoughts for Markov LLM Test-Time Scaling

arXiv.org Artificial Intelligence

Large Language Models (LLMs) achieve superior performance through training-time scaling, and test-time scaling further enhances their capabilities by conducting effective reasoning during inference. However, as the scale of reasoning increases, existing test-time scaling methods suffer from accumulated historical information, which not only wastes computational resources but also interferes with effective reasoning. To address this issue, we observe that complex reasoning progress is often achieved by solving a sequence of independent subquestions, each being self-contained and verifiable. These subquestions are essentially atomic questions, relying primarily on their current state rather than accumulated history, similar to the memoryless transitions in a Markov process. Based on this observation, we propose Atom of Thoughts (AoT), where each state transition in the reasoning process consists of decomposing the current question into a dependency-based directed acyclic graph and contracting its subquestions, forming a new atomic question state. This iterative decomposition-contraction process continues until reaching directly solvable atomic questions, naturally realizing Markov transitions between question states. Furthermore, these atomic questions can be seamlessly integrated into existing test-time scaling methods, enabling AoT to serve as a plug-in enhancement for improving reasoning capabilities. Experiments across six benchmarks demonstrate the effectiveness of AoT both as a standalone framework and a plug-in enhancement. Notably, on HotpotQA, when applied to gpt-4o-mini, AoT achieves an 80.6% F1 score, surpassing o3-mini by 3.4% and DeepSeek-R1 by 10.6%. The code will be available at https://github.com/qixucen/atom.


Minimal Ranks, Maximum Confidence: Parameter-efficient Uncertainty Quantification for LoRA

arXiv.org Artificial Intelligence

Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning of large language models by decomposing weight updates into low-rank matrices, significantly reducing storage and computational overhead. While effective, standard LoRA lacks mechanisms for uncertainty quantification, leading to overconfident and poorly calibrated models. Bayesian variants of LoRA address this limitation, but at the cost of a significantly increased number of trainable parameters, partially offsetting the original efficiency gains. Additionally, these models are harder to train and may suffer from unstable convergence. In this work, we propose a novel parameter-efficient Bayesian LoRA, demonstrating that effective uncertainty quantification can be achieved in very low-dimensional parameter spaces. The proposed method achieves strong performance with improved calibration and generalization while maintaining computational efficiency. Our empirical findings show that, with the appropriate projection of the weight space: (1) uncertainty can be effectively modeled in a low-dimensional space, and (2) weight covariances exhibit low ranks.


InfoQuest: Evaluating Multi-Turn Dialogue Agents for Open-Ended Conversations with Hidden Context

arXiv.org Artificial Intelligence

While large language models excel at following explicit instructions, they often struggle with ambiguous or incomplete user requests, defaulting to verbose, generic responses rather than seeking clarification. We introduce InfoQuest, a multi-turn chat benchmark designed to evaluate how dialogue agents handle hidden context in open-ended user requests. The benchmark presents intentionally ambiguous scenarios that require models to engage in information-seeking dialogue through clarifying questions before providing appropriate responses. Our evaluation of both open and closed-source models reveals that while proprietary models generally perform better, all current assistants struggle with effectively gathering critical information, often requiring multiple turns to infer user intent and frequently defaulting to generic responses without proper clarification. We provide a systematic methodology for generating diverse scenarios and evaluating models' information-seeking capabilities, offering insights into the current limitations of language models in handling ambiguous requests through multi-turn interactions.


On the Computational Tractability of the (Many) Shapley Values

arXiv.org Artificial Intelligence

Recent studies have examined the computational complexity of computing Shapley additive explanations (also known as SHAP) across various models and distributions, revealing their tractability or intractability in different settings. However, these studies primarily focused on a specific variant called Conditional SHAP, though many other variants exist and address different limitations. In this work, we analyze the complexity of computing a much broader range of such variants, including Conditional, Interventional, and Baseline SHAP, while exploring both local and global computations. We show that both local and global Interventional and Baseline SHAP can be computed in polynomial time for various ML models under Hidden Markov Model distributions, extending popular algorithms such as TreeSHAP beyond empirical distributions. On the downside, we prove intractability results for these variants over a wide range of neural networks and tree ensembles. We believe that our results emphasize the intricate diversity of computing Shapley values, demonstrating how their complexity is substantially shaped by both the specific SHAP variant, the model type, and the distribution.


Chaotic Map based Compression Approach to Classification

arXiv.org Artificial Intelligence

Modern machine learning approaches often prioritize performance at the cost of increased complexity, computational demands, and reduced interpretability. This paper introduces a novel framework that challenges this trend by reinterpreting learning from an information-theoretic perspective, viewing it as a search for encoding schemes that capture intrinsic data structures through compact representations. Rather than following the conventional approach of fitting data to complex models, we propose a fundamentally different method that maps data to intervals of initial conditions in a dynamical system. Our GLS (Generalized L\"uroth Series) coding compression classifier employs skew tent maps - a class of chaotic maps - both for encoding data into initial conditions and for subsequent recovery. The effectiveness of this simple framework is noteworthy, with performance closely approaching that of well-established machine learning methods. On the breast cancer dataset, our approach achieves 92.98\% accuracy, comparable to Naive Bayes at 94.74\%. While these results do not exceed state-of-the-art performance, the significance of our contribution lies not in outperforming existing methods but in demonstrating that a fundamentally simpler, more interpretable approach can achieve competitive results.


IMLE Policy: Fast and Sample Efficient Visuomotor Policy Learning via Implicit Maximum Likelihood Estimation

arXiv.org Artificial Intelligence

Recent advances in imitation learning, particularly using generative modelling techniques like diffusion, have enabled policies to capture complex multi-modal action distributions. However, these methods often require large datasets and multiple inference steps for action generation, posing challenges in robotics where the cost for data collection is high and computation resources are limited. To address this, we introduce IMLE Policy, a novel behaviour cloning approach based on Implicit Maximum Likelihood Estimation (IMLE). IMLE Policy excels in low-data regimes, effectively learning from minimal demonstrations and requiring 38\% less data on average to match the performance of baseline methods in learning complex multi-modal behaviours. Its simple generator-based architecture enables single-step action generation, improving inference speed by 97.3\% compared to Diffusion Policy, while outperforming single-step Flow Matching. We validate our approach across diverse manipulation tasks in simulated and real-world environments, showcasing its ability to capture complex behaviours under data constraints. Videos and code are provided on our project page: https://imle-policy.github.io/.


Computational-Statistical Tradeoffs at the Next-Token Prediction Barrier: Autoregressive and Imitation Learning under Misspecification

arXiv.org Artificial Intelligence

Next-token prediction with the logarithmic loss is a cornerstone of autoregressive sequence modeling, but, in practice, suffers from error amplification, where errors in the model compound and generation quality degrades as sequence length $H$ increases. From a theoretical perspective, this phenomenon should not appear in well-specified settings, and, indeed, a growing body of empirical work hypothesizes that misspecification, where the learner is not sufficiently expressive to represent the target distribution, may be the root cause. Under misspecification -- where the goal is to learn as well as the best-in-class model up to a multiplicative approximation factor $C\geq 1$ -- we confirm that $C$ indeed grows with $H$ for next-token prediction, lending theoretical support to this empirical hypothesis. We then ask whether this mode of error amplification is avoidable algorithmically, computationally, or information-theoretically, and uncover inherent computational-statistical tradeoffs. We show: (1) Information-theoretically, one can avoid error amplification and achieve $C=O(1)$. (2) Next-token prediction can be made robust so as to achieve $C=\tilde O(H)$, representing moderate error amplification, but this is an inherent barrier: any next-token prediction-style objective must suffer $C=\Omega(H)$. (3) For the natural testbed of autoregressive linear models, no computationally efficient algorithm can achieve sub-polynomial approximation factor $C=e^{(\log H)^{1-\Omega(1)}}$; however, at least for binary token spaces, one can smoothly trade compute for statistical power and improve on $C=\Omega(H)$ in sub-exponential time. Our results have consequences in the more general setting of imitation learning, where the widely-used behavior cloning algorithm generalizes next-token prediction.


False Discovery Rate Control via Frequentist-assisted Horseshoe

arXiv.org Machine Learning

The horseshoe prior, a widely used handy alternative to the spike-and-slab prior, has proven to be an exceptional default global-local shrinkage prior in Bayesian inference and machine learning. However, designing tests with frequentist false discovery rate (FDR) control using the horseshoe prior or the general class of global-local shrinkage priors remains an open problem. In this paper, we propose a frequentist-assisted horseshoe procedure that not only resolves this long-standing FDR control issue for the high dimensional normal means testing problem but also exhibits satisfactory finite-sample FDR control under any desired nominal level for both large-scale multiple independent and correlated tests. We carry out the frequentist-assisted horseshoe procedure in an easy and intuitive way by using the minimax estimator of the global parameter of the horseshoe prior while maintaining the remaining full Bayes vanilla horseshoe structure. The results of both intensive simulations under different sparsity levels, and real-world data demonstrate that the frequentist-assisted horseshoe procedure consistently achieves robust finite-sample FDR control. Existing frequentist or Bayesian FDR control procedures can lose finite-sample FDR control in a variety of common sparse cases. Based on the intimate relationship between the minimax estimation and the level of FDR control discovered in this work, we point out potential generalizations to achieve FDR control for both more complicated models and the general global-local shrinkage prior family.


Scalable Discrete Diffusion Samplers: Combinatorial Optimization and Statistical Physics

arXiv.org Machine Learning

Learning to sample from complex unnormalized distributions over discrete domains emerged as a promising research direction with applications in statistical physics, variational inference, and combinatorial optimization. Recent work has demonstrated the potential of diffusion models in this domain. However, existing methods face limitations in memory scaling and thus the number of attainable diffusion steps since they require backpropagation through the entire generative process. To overcome these limitations we introduce two novel training methods for discrete diffusion samplers, one grounded in the policy gradient theorem and the other one leveraging Self-Normalized Neural Importance Sampling (SN-NIS). These methods yield memory-efficient training and achieve state-of-the-art results in unsupervised combinatorial optimization. Numerous scientific applications additionally require the ability of unbiased sampling. We introduce adaptations of SN-NIS and Neural Markov Chain Monte Carlo that enable for the first time the application of discrete diffusion models to this problem. We validate our methods on Ising model benchmarks and find that they outperform popular autoregressive approaches. Our work opens new avenues for applying diffusion models to a wide range of scientific applications in discrete domains that were hitherto restricted to exact likelihood models.