104 accepted papers
We propose Any-order Any-subset Autoregressive modeling (A3), a novel sequence generation framework that generalizes standard autoregressive (AR) factorization to support the prediction of arbitrary token groups in any order. A3 overcomes the limitations of conventional left-to-right decoding by ena…
Automating formal proofs of combinatorial identities is challenging for LLM-based provers, as long-horizon proof planning is required and unconstrained search quickly explodes. Symbolic methods such as the Wilf--Zeilberger (WZ) method can achieve a mechanized proof of combinatorial identities by con…
Unsupervised contrastive learning has shown significant performance improvements in recent years, often approaching or even rivaling supervised learning in various tasks. However, its learning mechanism is fundamentally different from supervised learning. Previous works have shown that difficult exa…
Large language models (LLMs) struggle with complex logical reasoning. Previous work has primarily explored single-agent methods, with their performance remains fundamentally limited by the capabilities of a single model. To our knowledge, this paper first introduce a multi-agent approach specificall…
Integrating graph knowledge into Large Language Models (LLMs) via passive representation faces critical bottlenecks: limited context windows, unreliable numerical computation, and structural hallucinations. To solve this, we propose **GRASP** (Graph Reasoning via Agentic Solving and Probing), shifti…
Memory-based test-time adaptation (TTA) assigns streaming test samples into class-specific memory slots based on pseudo-labels predicted by models like CLIP, and retrieves them to facilitate subsequent predictions under distribution shift. However, this process introduces two challenges: ❶ **Each sa…
Logical consistency, the requirement that statements remain non-contradictory under logical rules, is fundamental for trustworthy reasoning, yet current LLMs often fail to maintain it even on simple inference tasks. Existing benchmarks for LLM logical consistency are not scalable, not diverse, and n…
Thinking with images has emerged as an effective paradigm for advancing visual reasoning, extending beyond text-only chains of thought by injecting visual evidence into intermediate reasoning steps. However, existing methods fall short of human-like abstract visual thinking, as their flexibility is
Sparse autoencoders (SAEs) have recently emerged as a powerful tool for interpreting the features learned by large language models (LLMs). By reconstructing features with sparsely activated networks, SAEs aim to recover complex superposed polysemantic features into interpretable monosemantic ones. D…
LLM-driven agents demonstrate strong performance in sequential decision-making but often rely on on-the-fly reasoning, re-deriving solutions even in recurring scenarios. This insufficient experience reuse leads to computational redundancy and execution instability. To bridge this gap, we propose Pro…
``Read the room,'' or the ability to infer others' mental states from subtle social cues, is a hallmark of human social intelligence but remains a major challenge for current AI systems. Existing social reasoning datasets are limited in complexity, scale, and coverage of mental states, falling short…
With large language models (LLMs) now performing strongly across diverse tasks, there is growing demand for them to personalize outputs for individual users. Personalization is typically framed as an additional layer on top of a base NLP task, requiring model responses to meet user-specific needs wh…
In recent years, pre-trained large language models have achieved remarkable success across diverse tasks. Besides the pivotal role of self-supervised pre-training, their effectiveness in downstream applications also depends critically on the post-training process, which adapts models to task-specifi…
Vision-language models (VLMs) have shown remarkable abilities by integrating large language models with visual inputs. However, they often fail to utilize visual evidence adequately, either depending on linguistic priors in vision-centric tasks or resorting to textual shortcuts during reasoning. Alt…
Large Language Models (LLMs) increasingly rely on Chain-of-Thought (CoT) reasoning to solve complex problems. Contrary to the common belief that longer CoTs always improve performance, we demonstrate that **longer is not always better**. Across both real-world LLMs and theoretical models, task accur…
Although Large Language Models (LLMs) have demonstrated remarkable progress, their proficiency in graph-related tasks remains notably limited, hindering the development of truly general-purpose models. Previous attempts, including pretraining graph foundation models or employing supervised fine-tuni…
Self-supervised contrastive learning has emerged as a powerful tool in machine learning and computer vision to learn meaningful representations from unlabeled data. Meanwhile, its empirical success has encouraged many theoretical studies to reveal the learning mechanisms. However, in the existing th…
Deep learning models often suffer from a lack of interpretability due to \emph{polysemanticity}, where individual neurons are activated by multiple unrelated semantics, resulting in unclear attributions of model behavior. Recent advances in \emph{monosemanticity}, where neurons correspond to consist…
In this work, we explore the mechanism of in-context learning (ICL) on out-of-distribution (OOD) tasks that were not encountered during training. To achieve this, we conduct synthetic experiments where the objective is to learn OOD mathematical functions through ICL using a GPT-2 model. We reveal th…
Despite the impressive performance of general-purpose large language models (LLMs), they often require fine-tuning or post-training to excel at specific tasks. For instance, large reasoning models (LRMs), such as the DeepSeek-R1 series, demonstrate strong reasoning capabilities after post-train…
Adversarial training (AT) has been considered one of the most effective methods for making deep neural networks robust against adversarial attacks, while the training mechanisms and dynamics of AT remain open research problems. In this paper, we present a novel perspective on studying AT through the…
Kolmogorov-Arnold Networks (KANs) have seen great success in scientific domains thanks to spline activation functions, becoming an alternative to Multi-Layer Perceptrons (MLPs). However, spline functions may not respect symmetry in tasks, which is crucial prior knowledge in machine learning. In this…
Conventional research on large language models (LLMs) has primarily focused on refining output distributions, while paying less attention to the decoding process that transforms these distributions into final responses. Recent advances, such as scaling the computation of inference time with reward m…
Information-theoretic (IT) generalization bounds have been used to study the generalization of learning algorithms. These bounds are intrinsically data- and algorithm-dependent so that one can exploit the properties of data and algorithm to derive tighter bounds. However, we observe that although th…
Large language models (LLMs) have exhibited impressive performance and surprising emergent properties. However, their effectiveness remains limited by the fixed context window of the transformer architecture, posing challenges for long-context modeling. Among these challenges, length generalization…
Recently, contrastive learning has risen to be a promising paradigm for extracting meaningful data representations. Among various special designs, adding a projection head on top of the encoder during training and removing it for downstream tasks has proven to significantly enhance the performance o…
In-Context Learning (ICL) has emerged as a pivotal capability of auto-regressive large language models, yet it is hindered by a notable sensitivity to the ordering of context examples regardless of their mutual independence. To address this issue, recent studies have introduced several variant algor…
LiDAR-based global localization is an essential component of simultaneous localization and mapping (SLAM), which helps loop closure and re-localization. Current approaches rely on ground-truth poses obtained from GPS or SLAM odometry to supervise network training. Despite the great success of these
As advancements in large language models (LLMs) continue and the demand for personalized models increases, parameter-efficient fine-tuning (PEFT) methods (e.g., LoRA) become essential due to their efficiency in reducing computation costs. However, recent studies have raised alarming concerns that Lo…
The Mixture of Experts (MoE) architecture has emerged as a promising solution to reduce computational overhead by selectively activating subsets of model parameters. The effectiveness of MoE models depends primarily on their routing mechanisms, with the widely adopted Top-K routing scheme used for a…
Handling long-context inputs is crucial for large language models (LLMs) in tasks such as extended conversations, document summarization, and many-shot in-context learning. While recent approaches have extended the context windows of LLMs and employed perplexity (PPL) as a standard evaluation metric…
In many applications, we desire neural networks to exhibit invariance or equivariance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the gr…
Going beyond mimicking limited human experiences, recent studies show initial evidence that, like humans, large language models (LLMs) are capable of improving their abilities purely by self-correction, i.e., correcting previous responses through self-examination, as seen in models like OpenAI o1. N…
Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods--Invariant Risk Minimization (IRM) and Variance-Risk Extrapol…
Contrastive Learning (CL) has emerged as one of the most successful paradigms for unsupervised visual representation learning, yet it often depends on intensive manual data augmentations. With the rise of generative models, especially diffusion models, the ability to generate realistic images close…
While Large Language Models (LLMs) have achieved tremendous success in various applications, they are also susceptible to jailbreaking attacks. Several primary defense strategies have been proposed to protect LLMs from producing harmful information, mostly focusing on model fine-tuning or heuristica…
In recent years, the rise of generative self-supervised learning (SSL) paradigms has exhibited impressive performance across visual, language, and multi-modal domains. While the varied designs of generative SSL objectives lead to distinct properties in downstream tasks, a theoretical understanding o…
Deep representations have shown promising performance when transferred to downstream tasks in a black-box manner. Yet, their inherent lack of interpretability remains a significant challenge, as these features are often opaque to human understanding. In this paper, we propose Non-negative Contrastiv…
In the realm of self-supervised learning (SSL), masked image modeling (MIM) has gained popularity alongside contrastive learning methods. MIM involves reconstructing masked regions of input images using their unmasked portions. A notable subset of MIM methodologies employs discrete tokens as the rec…
The few-shot fine-tuning of Latent Diffusion Models (LDMs) has enabled them to grasp new concepts from a limited number of images. However, given the vast amount of personal images accessible online, this capability raises critical concerns about civil privacy. While several previous defense methods…
Diffusion models have achieved notable success in image generation, but they remain highly vulnerable to backdoor attacks, which compromise their integrity by producing specific undesirable outputs when presented with a pre-defined trigger. In this paper, we investigate how to protect diffusion mode…
Contrastive learning has been a leading paradigm for self-supervised learning, but it is widely observed that it comes at the price of sacrificing useful features (\eg colors) by being invariant to data augmentations. Given this limitation, there has been a surge of interest in equivariant self-supe…
In recent years, contrastive learning achieves impressive results on self-supervised visual representation learning, but there still lacks a rigorous understanding of its learning dynamics. In this paper, we show that if we cast a contrastive objective equivalently into the feature space, then its l…
The existence of adversarial examples has been a mystery for years and attracted much interest. A well-known theory by \citet{ilyas2019adversarial} explains adversarial vulnerability from a data perspective by showing that one can extract non-robust features from adversarial examples and these featu…
Self-Supervised Learning (SSL) is a paradigm that leverages unlabeled data for model training. Empirical studies show that SSL can achieve promising performance in distribution shift scenarios, where the downstream and training distributions differ. However, the theoretical understanding of its tran…
With the prosperity of contrastive learning for visual representation learning (VCL), it is also adapted to the graph domain and yields promising performance. However, through a systematic study of various graph contrastive learning (GCL) methods, we observe that some common phenomena among existing…
Adversarial Training (AT) has become arguably the state-of-the-art algorithm for extracting robust features. However, researchers recently notice that AT suffers from severe robust overfitting problems, particularly after learning rate (LR) decay. In this paper, we explain this phenomenon by viewing…
Adversarial training has been widely acknowledged as the most effective method to improve the adversarial robustness against adversarial examples for Deep Neural Networks (DNNs). So far, most existing works focus on enhancing the overall model robustness, treating each class equally in both the trai…
Oversmoothing is a common phenomenon in a wide range of Graph Neural Networks (GNNs) and Transformers, where performance degenerates as the layer goes deeper. Instead of characterizing oversmoothing from the view of complete collapse in which representations converge to a single point, we dive into…
Despite the connection established by optimization-induced deep equilibrium models (OptEqs) between their output and the underlying hidden optimization problems, the performance of it along with its related works is still not good enough especially when compared to deep networks. One key factor resp…
Deep neural networks obtained by standard training have been constantly plagued by adversarial examples. Although adversarial training demonstrates its capability to defend against adversarial examples, unfortunately, it leads to an inevitable drop in the natural generalization. To address the issue…
Existing contrastive learning methods rely on pairwise sample contrast $z_x^\top z_{x'}$ to learn data representations, but the learned features often lack clear interpretability from a human perspective. Theoretically, it lacks feature identifiability and different initialization may lead to totall…
Spectral embedding is a powerful graph embedding technique that has received a lot of attention recently due to its effectiveness on Graph Transformers. However, from a theoretical perspective, the universal expressive power of spectral embedding comes at the price of losing two important invariance…
Despite impressive success in many tasks, deep learning models are shown to rely on spurious features, which will catastrophically fail when generalized to out-of-distribution (OOD) data. Invariant Risk Minimization (IRM) is proposed to alleviate this issue by extracting domain-invariant features fo…
Multi-modal contrastive learning (MMCL) has recently garnered considerable interest due to its superior performance in visual tasks, achieved by embedding multi-modal data, such as visual-language pairs. However, there still lack theoretical understandings of how MMCL extracts useful visual represen…
Contrastive learning has shown outstanding performances in both supervised and unsupervised learning, and has recently been introduced to solve weakly supervised learning problems such as semi-supervised learning and noisy label learning. Despite the empirical evidence showing that semi-supervised l…
Recent works have shown that self-supervised learning can achieve remarkable robustness when integrated with adversarial training (AT). However, the robustness gap between supervised AT (sup-AT) and self-supervised AT (self-AT) remains significant. Motivated by this observation, we revisit existing…
Spiking Neural Networks (SNNs) are promising energy-efficient models for neuromorphic computing. For training the non-differentiable SNN models, the backpropagation through time (BPTT) with surrogate gradients (SG) method has achieved high performance. However, this method suffers from considerable…
Recently, a variety of methods under the name of non-contrastive learning (like BYOL, SimSiam, SwAV, DINO) show that when equipped with some asymmetric architectural designs, aligning positive pairs alone is sufficient to attain good performance in self-supervised visual learning. Despite some under…
Graph Neural Networks (GNNs) are widely used deep learning models that can extract meaningful representations from graph datasets and achieve great success in many machine learning tasks. Among them, graph neural networks with iterative iterations like unfolded GNNs and implicit GNNs can effectively…
Adversarial Training (AT) is known as an effective approach to enhance the robustness of deep neural networks. Recently researchers notice that robust models with AT have good generative ability and can synthesize realistic images, while the reason behind it is yet under-explored. In this paper, we…
Recently, certifiable robust training methods via bound propagation have been proposed for training neural networks with certifiable robustness guarantees. However, no neural architectures with regular convolution and linear layers perform better in the certifiable training than the plain CNNs, sinc…
Deep neural networks (DNNs) have revealed severe vulnerability to adversarial perturbations, beside empirical adversarial training for robustness, the design of provably robust classifiers attracts more and more attention. Randomized smoothing methods provide the certified robustness with agnostic a…
Recently, contrastive learning has risen to be a promising approach for large-scale self-supervised learning. However, theoretical understanding of how it works is still unclear. In this paper, we propose a new guarantee on the downstream performance without resorting to the conditional independence…
Recently, linear GCNs have shown competitive performance against non-linear ones with less computation cost, and the key lies in their propagation layers. Spectral analysis has been widely adopted in designing and analyzing existing graph propagations. Nevertheless, we notice that existing spectral…
Masked Autoencoders (MAE) based on a reconstruction task have risen to be a promising paradigm for self-supervised learning (SSL) and achieve state-of-the-art performance across different benchmark datasets. However, despite its impressive empirical success, there is still limited theoretical unders…
Deep models often fail to generalize well in test domains when the data distribution differs from that in the training domain. Among numerous approaches to address this Out-of-Distribution (OOD) generalization problem, there has been a growing surge of interest in exploiting Adversarial Training (AT…
Works have shown the strong connections between some implicit models and optimization problems. However, explorations on such relationships are limited. Most works pay attention to some common mathematical properties, such as sparsity. In this work, we propose a new type of implicit model inspired b…
Due to the over-smoothing issue, most existing graph neural networks can only capture limited dependencies with their inherently finite aggregation layers. To overcome this limitation, we propose a new kind of graph convolution, called Graph Implicit Nonlinear Diffusion (GIND), which implicitly has…
Due to numerous breakthroughs in real-world applications brought by machine intelligence, deep neural networks (DNNs) are widely employed in critical applications. However, predictions of DNNs are easily manipulated with imperceptible adversarial perturbations, which impedes the further deployment o…
Spiking Neural Network (SNN) is a promising energy-efficient AI model when implemented on neuromorphic hardware. However, it is a challenge to efficiently train SNNs due to their non-differentiability. Most existing methods either suffer from high latency (i.e., long simulation time steps), or canno…
Vision Transformers (ViTs) have recently achieved competitive performance in broad vision tasks. Unfortunately, on popular threat models, naturally trained ViTs are shown to provide no more adversarial robustness than convolutional neural networks (CNNs). Adversarial training is still required for V…
In this paper, we use the interaction inside adversarial perturbations to explain and boost the adversarial transferability. We discover and prove the negative correlation between the adversarial transferability and the interaction inside adversarial perturbations. The negative correlation is furthe…
As deep neural networks (DNNs) are growing larger, their requirements for computational resources become huge, which makes outsourcing training more popular. Training in a third-party platform, however, may introduce potential risks that a malicious trainer will return backdoored DNNs, which behave…
Can models with particular structure avoid being biased towards spurious correlation in out-of-distribution (OOD) generalization? Peters et al. (2016) provides a positive answer for linear cases. In this paper, we use a functional modular probing method to analyze deep model structures under OOD set…
Adversarial robustness has received increasing attention along with the study of adversarial examples. So far, existing works show that robust models not only obtain robustness against various adversarial attacks but also boost the performance in some downstream tasks. However, the underlying mechan…
Graph Convolutional Networks (GCNs) have attracted more and more attentions in recent years. A typical GCN layer consists of a linear feature propagation step and a nonlinear transformation step. Recent works show that a linear GCN can achieve comparable performance to the original non-linear GCN wh…
Convolutional neural networks (CNNs) have dominated the field of Computer Vision and achieved great success due to their built-in translation equivariance. Group equivariant CNNs (G-CNNs) that incorporate more equivariance can significantly improve the performance of conventional CNNs. However, G-CN…
Deep neural networks (DNNs) are known to be vulnerable to adversarial attacks. A range of defense methods have been proposed to train adversarially robust DNNs, among which adversarial training has demonstrated promising results. However, despite preliminary understandings developed for adversarial…
One major problem in black-box adversarial attacks is the high query complexity in the hard-label attack setting, where only the top-1 predicted label is available. In this paper, we propose a novel geometric-based approach called Tangent Attack (TA), which identifies an optimal tangent point of a v…
In this paper, we propose a density estimation algorithm called \textit{Gradient Boosting Histogram Transform} (GBHT), where we adopt the \textit{Negative Log Likelihood} as the loss function to make the boosting procedure available for the unsupervised tasks. From a learning theory viewpoint, we fi…
Attention mechanism has shown great performance and efficiency in a lot of deep learning models, in which relative position encoding plays a crucial role. However, when introducing attention to manifolds, there is no canonical local coordinate system to parameterize neighborhoods. To address this is…
The study of adversarial examples and their activations have attracted significant attention for secure and robust learning with deep neural networks (DNNs). Different from existing works, in this paper, we highlight two new characteristics of adversarial examples from the channel-wise activation p…
As an important branch of weakly supervised learning, partial label learning deals with data where each instance is assigned with a set of candidate labels, whereas only one of them is true. Despite many methodology studies on learning from partial labels, there still lacks theoretical understanding…
Images, captured by a camera, play a critical role in training Deep Neural Networks (DNNs). Usually, we assume the images acquired by cameras are consistent with the ones perceived by human eyes. However, due to the different physical mechanisms between human-vision and computer-vision systems, the…
This paper focuses on training implicit models of infinite layers. Specifically, previous works employ implicit differentiation and solve the exact gradient for the backward propagation. However, is it necessary to compute such an exact but expensive gradient for training? In this work, we propose a…
Multi-view methods learn representations by aligning multiple views of the same image and their performance largely depends on the choice of data augmentation. In this paper, we notice that some other useful augmentations, such as image rotation, are harmful for multi-view methods because they cause…
This paper provides a unified view to explain different adversarial attacks and defense methods, i.e. the view of multi-order interactions between input variables of DNNs. Based on the multi-order interaction, we discover that adversarial attacks mainly affect high-order interactions to fool the DNN…
Spiking neural networks (SNNs) are brain-inspired models that enable energy-efficient implementation on neuromorphic hardware. However, the supervised training of SNNs remains a hard problem due to the discontinuity of the spiking neuron model. Most existing methods imitate the backpropagation frame…
The volume of "free" data on the internet has been key to the current success of deep learning. However, it also raises privacy concerns about the unauthorized exploitation of personal data for training commercial models. It is thus crucial to develop methods to prevent unauthorized data exploitatio…
Deep neural networks (DNNs) are known to be vulnerable to adversarial examples. Existing works have mostly focused on either digital adversarial examples created via small and imperceptible perturbations, or physical-world adversarial examples created with large and less realistic distortions that a…
The study on improving the robustness of deep neural networks against adversarial examples grows rapidly in recent years. Among them, adversarial training is the most promising one, which flattens the \textit{input loss landscape} (loss change with respect to input) via training on adversarially per…
Deep neural networks (DNNs) are vulnerable to adversarial examples crafted by imperceptible perturbations. A range of defense techniques have been proposed to improve DNN robustness to adversarial examples, among which adversarial training has been demonstrated to be the most effective. Adversarial…
Deep neural networks (DNNs) have demonstrated excellent performance on various tasks, however they are under the risk of adversarial examples that can be easily generated when the target model is accessible to an attacker (white-box setting). As plenty of machine learning models have been deployed v…
Robust loss functions are essential for training accurate deep neural networks (DNNs) in the presence of noisy (incorrect) labels. It has been shown that the commonly used Cross Entropy (CE) loss is not robust to noisy labels. Whilst new loss functions have been designed, they are only partially rob…
Skip connections are an essential component of current state-of-the-art deep neural networks (DNNs) such as ResNet, WideResNet, DenseNet, and ResNeXt. Despite their huge success in building deeper and more powerful DNNs, we identify a surprising \emph{security weakness} of skip connections in this p…
Adversarial perturbations of clean images are usually imperceptible for human eyes, but can confidently fool deep neural networks (DNNs) to make incorrect predictions. Such vulnerability of DNNs raises serious security concerns about their practicability in security-sensitive applications. To defend…
Improving the robustness of deep neural networks (DNNs) to adversarial examples is an important yet challenging problem for secure deep learning. Across existing defense techniques, adversarial training with Projected Gradient Decent (PGD) is amongst the most effective. Adversarial training solves a…
Training accurate deep neural networks (DNNs) in the presence of noisy labels is an important and challenging task. Though a number of approaches have been proposed for learning with noisy labels, many open issues remain. In this paper, we show that DNN learning with Cross Entropy (CE) exhibits over…
Deep Neural Networks (DNNs) have recently been shown to be vulnerable against adversarial examples, which are carefully crafted instances that can mislead DNNs to make errors during prediction. To better understand such attacks, a characterization is needed of the properties of regions (the so-calle…
Inner product-based convolution has been a central component of convolutional neural networks (CNNs) and the key to learning visual representations. Inspired by the observation that CNN-learned features are naturally decoupled with the norm of features corresponding to the intra-class variation and…
Datasets with significant proportions of noisy (incorrect) class labels present challenges for training accurate Deep Neural Networks (DNNs). We propose a new perspective for understanding DNN generalization for such datasets, by investigating the dimensionality of the deep representation subspace o…
Large-scale datasets possessing clean label annotations are crucial for training Convolutional Neural Networks (CNNs). However, labeling large-scale data can be very costly and error-prone, and even high-quality datasets are likely to contain noisy (incorrect) labels. Existing works usually employ a…
Owing to its simplicity and flexibility, the decision tree remains an important analysis tool in many real-world learning tasks. A lot of decision tree algorithms have been proposed, such as ID3, C4.5 and CART, which represent three most prevalent criteria of attribute splitting, i.e., Shannon entro…