40 accepted papers
Long-tailed distributions are prevalent in real-world semi-supervised learning (SSL), where pseudo-labels tend to favor majority classes, leading to degraded generalization. Although numerous long-tailed SSL (LTSSL) methods have been proposed, the underlying mechanisms of class bias remain underexpl…
Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear regression on graph structures. However, existing GNNs commonly repr…
Large Language Models have demonstrated superior reasoning capabilities by generating step-by-step reasoning in natural language before deriving the final answer. Recently, Geiping et al. introduced 3.5B-Huginn as an alternative to this paradigm, a depth-recurrent Transformer that increases computat…
The attention mechanism with softmax normalisation is a foundational component of Transformer-based large language models. However, with very long contexts, attention scores are known to diminish, raising fundamental questions about token distinguishability and how it can be preserved. In this work,…
Fluid-solid interaction (FSI) problems are fundamental in many scientific and engineering applications, yet effectively capturing the highly nonlinear two-way interactions remains a significant challenge. Most existing deep learning methods are limited to simplified one-way FSI scenarios, often assu…
Differentially private stochastic gradient descent (DP-SGD) achieves privacy by clipping per-sample gradients and injecting Gaussian noise, but its utility is highly sensitive to the choice of the clipping threshold $C$. A fixed $C$ often degrades performance and necessitates repeated empirical cali…
Transformers can acquire Chain-of-Thought (CoT) capabilities to solve complex reasoning tasks through fine-tuning. Reinforcement learning (RL) and supervised fine-tuning (SFT) are two primary approaches to this end. In this work, we examine them specifically for learning k-sparse Boolean functions w…
Pedestrian trajectory prediction is critical for ensuring safety in autonomous driving, surveillance systems, and urban planning applications. While early approaches primarily focus on one-hop pairwise relationships, recent studies attempt to capture high-order interactions by stacking multiple Grap
Transformers and many other deep learning models are empirically shown to predictably enhance their performance as a power law in training time, model size, or the number of training data points, which is termed as the neural scaling law. This paper studies this intriguing phenomenon particularly fo…
Understanding the dynamics of causal structures is crucial for uncovering the underlying processes in time series data. Previous approaches rely on static assumptions, where contemporaneous and time-lagged dependencies are assumed to have invariant topological structures. However, these models fail…
This paper targets on the regularization effect of momentum-based methods in regression settings and analyzes the popular diagonal linear networks to precisely characterize the implicit bias of continuous versions of heavy-ball (HB) and Nesterov's method of accelerated gradients (NAG). We show that,…
This paper establishes a continuous time approximation, a piece-wise continuous differential equation, for the discrete Heavy-Ball (HB) momentum method with explicit discretization error. Investigating continuous differential equations has been a promising approach for studying the discrete optimiza…
Multi-solid systems are foundational to a wide range of real-world applications, yet modeling their complex interactions remains challenging. Existing deep learning methods predominantly rely on implicit modeling, where the factors influencing solid deformation are not explicitly represented but are…
Bi-level optimizaiton (BO) has become a fundamental mathematical framework for addressing hierarchical machine learning problems. As deep learning models continue to grow in size, the demand for scalable bi-level optimization has become increasingly critical. Traditional gradient-based bi-level opti…
Studying the implicit bias of gradient descent (GD) and stochastic gradient descent (SGD) is critical to unveil the underlying mechanism of deep learning. Unfortunately, even for standard linear networks in regression setting, a comprehensive characterization of the implicit bias is still an open pr…
The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following thi…
Neural ordinary differential equation (Neural ODE) is an elegant yet powerful framework to learn the temporal dynamics for time series modeling. However, we observe that existing Neural ODE forecasting models suffer from two disadvantages: i) controlling the latent states only through the linear tra…
Differentiable physics modeling combines physics models with gradient-based learning to provide model explicability and data efficiency. It has been used to learn dynamics, solve inverse problems and facilitate design, and is at its inception of impact. Current successes have concentrated on general…
We provide theoretical understandings of the implicit bias imposed by adversarial training for homogeneous deep neural networks without any explicit regularization. In particular, for deep linear networks adversarially trained by gradient descent on a linearly separable dataset, we prove that the di…
The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the…
Though machine learning algorithms are able to achieve pattern recognition from the correlation between data and labels, the presence of spurious features in the data decreases the robustness of these learned relationships with respect to varied testing environments. This is known as out-of-distribu…
Despite the empirical success in various domains, it has been revealed that deep neural networks are vulnerable to maliciously perturbed input data that much degrade their performance. This is known as adversarial attacks. To counter adversarial attacks, adversarial training formulated as a form of…
We consider the fundamental problem of how to automatically construct summary statistics for implicit generative models where the evaluation of the likelihood function is intractable but sampling data from the model is possible. The idea is to frame the task of constructing sufficient statistics as…
It is well-known that stochastic gradient noise (SGN) acts as implicit regularization for deep learning and is essentially important for both optimization and generalization of deep networks. Some works attempted to artificially simulate SGN by injecting random noise to improve deep learning. Howeve…
Spatial-temporal data forecasting of traffic flow is a challenging task because of complicated spatial dependencies and dynamical trends of temporal pattern between different roads. Existing frameworks usually utilize given spatial adjacency graph and sophisticated mechanisms for modeling spatial an…
In this paper, we comprehensively reveal the learning dynamics of normalized neural network using Stochastic Gradient Descent (with momentum) and Weight Decay (WD), named as Spherical Motion Dynamics (SMD). Most related works focus on studying behavior of ``effective learning rate" in ``equilibrium"…
Randomized classifiers have been shown to provide a promising approach for achieving certified robustness against adversarial attacks in deep learning. However, most existing methods only leverage Gaussian smoothing noise and only work for $\ell_2$ perturbation. We propose a general framework of adv…
Convolutional Neural Networks (CNNs) are known to rely more on local texture rather than global shape when making decisions. Recent work also indicates a close relationship between CNN’s texture-bias and its robustness against distribution shift, adversarial perturbation, random corruption, etc. In…
Knowledge distillation is a strategy of training a student network with guide of the soft output from a teacher network. It has been a successful method of model compression and knowledge transfer. However, currently knowledge distillation lacks a convincing theoretical understanding. On the other h…
Deep neural networks have been proven to be vulnerable to the so-called adversarial attacks. Recently there have been efforts to defend such attacks with deep generative models. These defenses often predict by inverting the deep generative models rather than simple feedforward propagation. Such defe…
The gradient noise of SGD is considered to play a central role in the observed strong generalization abilities of deep learning. While past studies confirm that the magnitude and the covariance structure of gradient noise are critical for regularization, it remains unclear whether or not the class o…
We attempt to interpret how adversarially trained convolutional neural networks (AT-CNNs) recognize objects. We design systematic approaches to interpret AT-CNNs in both qualitative and quantitative ways and compare them with normally trained models. Surprisingly, we find that adversarial training a…
Compared with standard supervised learning, the key difficulty in semi-supervised learning is how to make full use of the unlabeled data. A recently proposed method, virtual adversarial training (VAT), smartly performs adversarial training without label information to impose a local smoothness on…
Understanding the behavior of stochastic gradient descent (SGD) in the context of deep neural networks has raised lots of concerns recently. Along this line, we study a general form of gradient based optimization dynamics with unbiased noise, which unifies SGD and standard Langevin dynamics. Through…
Deep learning achieves state-of-the-art results in many tasks in computer vision and natural language processing. However, recent works have shown that deep networks can be vulnerable to adversarial perturbations which raised a serious robustness issue of deep networks. Adversarial training, typical…
Deep neural networks have been known to be vulnerable to adversarial attacks, raising lots of security concerns in the practical deployment. Popular defensive approaches can be formulated as a (distributionally) robust optimization problem, which minimizes a ``point estimate'' of worst-case loss der…
Most artificial intelligence models are limited in their ability to solve new tasks faster, without forgetting previously acquired knowledge. The recently emerging paradigm of continual learning aims to solve this issue, in which the model learns various tasks in a sequential fashion. In this work,…
In this paper, we propose a novel sampling method, the thermostat-assisted continuously-tempered Hamiltonian Monte Carlo, for the purpose of multimodal Bayesian learning. It simulates a noisy dynamical system by incorporating both a continuously-varying tempering variable and the Nos\'e-Hoover therm…
Minimizing non-convex and high-dimensional objective functions is challenging, especially when training modern deep neural networks. In this paper, a novel approach is proposed which divides the training process into two consecutive phases to obtain better generalization performance: Bayesian sampl…
Monte Carlo sampling for Bayesian posterior inference is a common approach used in machine learning. The Markov Chain Monte Carlo procedures that are used are often discrete-time analogues of associated stochastic differential equations (SDEs). These SDEs are guaranteed to leave invariant the requir…