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 Deep Learning


Unsupervised Data Augmentation for Consistency Training

Neural Information Processing Systems

Semi-supervised learning lately has shown much promise in improving deep learning models when labeled data is scarce. Common among recent approaches is the use of consistency training on a large amount of unlabeled data to constrain model predictions to be invariant to input noise. In this work, we present a new perspective on how to effectively noise unlabeled examples and argue that the quality of noising, specifically those produced by advanced data augmentation methods, plays a crucial role in semi-supervised learning. By substituting simple noising operations with advanced data augmentation methods such as RandAugment and back-translation, our method brings substantial improvements across six language and three vision tasks under the same consistency training framework. On the IMDb text classification dataset, with only 20 labeled examples, our method achieves an error rate of 4.20, outperforming the state-of-the-art model trained on 25,000 labeled examples. On a standard semi-supervised learning benchmark, CIFAR-10, our method outperforms all previous approaches and achieves an error rate of 5.43 with only 250 examples. Our method also combines well with transfer learning, e.g., when finetuning from BERT, and yields improvements in high-data regime, such as ImageNet, whether when there is only 10% labeled data or when a full labeled set with 1.3M extra unlabeled examples is used.


Shallow Neural Networks Learn Low-Degree Spherical Polynomials with Learnable Channel Attention

arXiv.org Machine Learning

We study the problem of learning a low-degree spherical polynomial of degree $\ell_0 = ฮ˜(1) \ge 1$ defined on the unit sphere in $\RR^d$ by training an over-parameterized two-layer neural network (NN) with channel attention in this paper. Our main result is the significantly improved sample complexity for learning such low-degree polynomials. We show that, for any regression risk $\eps \in (0,1)$, a carefully designed two-layer NN with channel attention and finite width of $m \ge ฮ˜({n^4 \log (2n/ฮด)}/{d^{2\ell_0}})$ trained by the vanilla gradient descent (GD) requires the lowest sample complexity of $n \asymp ฮ˜(d^{\ell_0}/\eps)$ with probability $1-ฮด$ for every $ฮด\in (0,1)$, in contrast with the representative sample complexity $ฮ˜\pth{d^{\ell_0} \max\set{\eps^{-2},\log d}}$, where $n$ is the training daata size. Moreover, such sample complexity is not improvable since the trained network renders a sharp rate of the nonparametric regression risk of the order $ฮ˜(d^{\ell_0}/{n})$ with probability at least $1-ฮด$. On the other hand, the minimax optimal rate for the regression risk with a kernel of rank $ฮ˜(d^{\ell_0})$ is $ฮ˜(d^{\ell_0}/{n})$, so that the rate of the nonparametric regression risk of the network trained by GD is minimax optimal. The training of the two-layer NN with channel attention consists of two stages. In Stage 1, a provable learnable channel selection algorithm identifies the ground-truth channel number $\ell_0$ from the initial $L \ge \ell_0$ channels in the first-layer activation, with high probability. This learnable selection is achieved by an efficient one-step GD update on both layers, enabling feature learning for low-degree polynomial targets. In Stage 2, the second layer is trained by standard GD using the activation function with the selected channels.


KAN-AFT: An Interpretable Nonlinear Survival Model Integrating Kolmogorov-Arnold Networks with Accelerated Failure Time Analysis

arXiv.org Machine Learning

Survival analysis relies fundamentally on the semi-parametric Cox Proportional Hazards (CoxPH) model and the parametric Accelerated Failure Time (AFT) model. CoxPH assumes constant hazard ratios, often failing to capture real-world dynamics, while traditional AFT models are limited by rigid distributional assumptions. Although deep learning models like DeepAFT address these constraints by improving predictive accuracy and handling censoring, they inherit the significant challenge of black-box interpretability. The recent introduction of CoxKAN demonstrated the successful integration of Kolmogorov-Arnold Networks (KANs), a novel architecture that yields highly accurate and interpretable symbolic representations, within the CoxPH framework. Motivated by the interpretability gains of CoxKAN, we introduce KAN-AFT (Kolmogorov Arnold Network-based AFT), the first framework to apply KANs to the AFT model. Our primary contributions include: (i) a principled AFT-KAN formulation, (ii) robust optimization strategies for right-censored observations (e.g., Buckley-James and IPCW), and (iii) an interpretability pipeline that converts the learned spline functions into closed-form symbolic equations for survival time. Empirical results on multiple datasets confirm that KAN-AFT achieves performance comparable to or better than DeepAFT, while uniquely providing transparent, symbolic models of the survival process.


Gaussian Variational Inference with Non-Gaussian Factors for State Estimation: A UWB Localization Case Study

arXiv.org Machine Learning

This letter extends the exactly sparse Gaussian variational inference (ESGVI) algorithm for state estimation in two complementary directions. First, ESGVI is generalized to operate on matrix Lie groups, enabling the estimation of states with orientation components while respecting the underlying group structure. Second, factors are introduced to accommodate heavy-tailed and skewed noise distributions, as commonly encountered in ultra-wideband (UWB) localization due to non-line-of-sight (NLOS) and multipath effects. Both extensions are shown to integrate naturally within the ESGVI framework while preserving its sparse and derivative-free structure. The proposed approach is validated in a UWB localization experiment with NLOS-rich measurements, demonstrating improved accuracy and comparable consistency. Finally, a Python implementation within a factor-graph-based estimation framework is made open-source (https://github.com/decargroup/gvi_ws) to support broader research use.


FOF: Learning Fourier Occupancy Field for Monocular Real-time Human Reconstruction

Neural Information Processing Systems

The advent of deep learning has led to significant progress in monocular human reconstruction. However, existing representations, such as parametric models, voxel grids, meshes and implicit neural representations, have difficulties achieving high-quality results and real-time speed at the same time. In this paper, we propose Fourier Occupancy Field (FOF), a novel, powerful, efficient and flexible 3D geometry representation, for monocular real-time and accurate human reconstruction. A FOF represents a 3D object with a 2D field orthogonal to the view direction where at each 2D position the occupancy field of the object along the view direction is compactly represented with the first few terms of Fourier series, which retains the topology and neighborhood relation in the 2D domain. A FOF can be stored as a multi-channel image, which is compatible with 2D convolutional neural networks and can bridge the gap between 3D geometries and 2D images. A FOF is very flexible and extensible, \eg, parametric models can be easily integrated into a FOF as a prior to generate more robust results. Meshes and our FOF can be easily inter-converted. Based on FOF, we design the first 30+FPS high-fidelity real-time monocular human reconstruction framework. We demonstrate the potential of FOF on both public datasets and real captured data.


AmadeusGPT: a natural language interface for interactive animal behavioral analysis

Neural Information Processing Systems

The process of quantifying and analyzing animal behavior involves translating the naturally occurring descriptive language of their actions into machine-readable code. Yet, codifying behavior analysis is often challenging without deep understanding of animal behavior and technical machine learning knowledge. To limit this gap, we introduce AmadeusGPT: a natural language interface that turns natural language descriptions of behaviors into machine-executable code. Large-language models (LLMs) such as GPT3.5 and GPT4 allow for interactive language-based queries that are potentially well suited for making interactive behavior analysis. However, the comprehension capability of these LLMs is limited by the context window size, which prevents it from remembering distant conversations.


Spectral Bias in Practice: The Role of Function Frequency in Generalization

Neural Information Processing Systems

Despite their ability to represent highly expressive functions, deep learning models seem to find simple solutions that generalize surprisingly well. Spectral bias -- the tendency of neural networks to prioritize learning low frequency functions -- is one possible explanation for this phenomenon, but so far spectral bias has primarily been observed in theoretical models and simplified experiments. In this work, we propose methodologies for measuring spectral bias in modern image classification networks on CIFAR-10 and ImageNet. We find that these networks indeed exhibit spectral bias, and that interventions that improve test accuracy on CIFAR-10 tend to produce learned functions that have higher frequencies overall but lower frequencies in the vicinity of examples from each class. This trend holds across variation in training time, model architecture, number of training examples, data augmentation, and self-distillation. We also explore the connections between function frequency and image frequency and find that spectral bias is sensitive to the low frequencies prevalent in natural images. On ImageNet, we find that learned function frequency also varies with internal class diversity, with higher frequencies on more diverse classes. Our work enables measuring and ultimately influencing the spectral behavior of neural networks used for image classification, and is a step towards understanding why deep models generalize well.


Intrinsic Dimension, Persistent Homology and Generalization in Neural Networks

Neural Information Processing Systems

Disobeying the classical wisdom of statistical learning theory, modern deep neural networks generalize well even though they typically contain millions of parameters. Recently, it has been shown that the trajectories of iterative optimization algorithms can possess \emph{fractal structures}, and their generalization error can be formally linked to the complexity of such fractals. This complexity is measured by the fractal's \emph{intrinsic dimension}, a quantity usually much smaller than the number of parameters in the network. Even though this perspective provides an explanation for why overparametrized networks would not overfit, computing the intrinsic dimension (\eg, for monitoring generalization during training) is a notoriously difficult task, where existing methods typically fail even in moderate ambient dimensions. In this study, we consider this problem from the lens of topological data analysis (TDA) and develop a generic computational tool that is built on rigorous mathematical foundations. By making a novel connection between learning theory and TDA, we first illustrate that the generalization error can be equivalently bounded in terms of a notion called the'persistent homology dimension' (PHD), where, compared with prior work, our approach does not require any additional geometrical or statistical assumptions on the training dynamics. Then, by utilizing recently established theoretical results and TDA tools, we develop an efficient algorithm to estimate PHD in the scale of modern deep neural networks and further provide visualization tools to help understand generalization in deep learning. Our experiments show that the proposed approach can efficiently compute a network's intrinsic dimension in a variety of settings, which is predictive of the generalization error.


Deep Graph Pose: a semi-supervised deep graphical model for improved animal pose tracking

Neural Information Processing Systems

Noninvasive behavioral tracking of animals is crucial for many scientific investigations. Recent transfer learning approaches for behavioral tracking have considerably advanced the state of the art. Typically these methods treat each video frame and each object to be tracked independently. In this work, we improve on these methods (particularly in the regime of few training labels) by leveraging the rich spatiotemporal structures pervasive in behavioral video --- specifically, the spatial statistics imposed by physical constraints (e.g., paw to elbow distance), and the temporal statistics imposed by smoothness from frame to frame. We propose a probabilistic graphical model built on top of deep neural networks, Deep Graph Pose (DGP), to leverage these useful spatial and temporal constraints, and develop an efficient structured variational approach to perform inference in this model. The resulting semi-supervised model exploits both labeled and unlabeled frames to achieve significantly more accurate and robust tracking while requiring users to label fewer training frames. In turn, these tracking improvements enhance performance on downstream applications, including robust unsupervised segmentation of behavioral disentangled'' low-dimensional representations of the full behavioral video.


TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction

Neural Information Processing Systems

Illuminating interactions between proteins and small drug molecules is a long-standing challenge in the field of drug discovery. Despite the importance of understanding these interactions, most previous works are limited by hand-designed scoring functions and insufficient conformation sampling. The recently-proposed graph neural network-based methods provides alternatives to predict protein-ligand complex conformation in a one-shot manner. However, these methods neglect the geometric constraints of the complex structure and weaken the role of local functional regions. As a result, they might produce unreasonable conformations for challenging targets and generalize poorly to novel proteins. In this paper, we propose Trigonometry-Aware Neural networKs for binding structure prediction, TANKBind, that builds trigonometry constraint as a vigorous inductive bias into the model and explicitly attends to all possible binding sites for each protein by segmenting the whole protein into functional blocks. We construct novel contrastive losses with local region negative sampling to jointly optimize the binding interaction and affinity. Extensive experiments show substantial performance gains in comparison to state-of-the-art physics-based and deep learning-based methods on commonly-used benchmark datasets for both binding structure and affinity predictions with variant settings.