49 accepted papers
LLM-based agents are increasingly deployed across web and GUI automation, embodied decision making, and scientific workflows, yet their progress is often constrained by limited data and interaction. High-quality supervision is costly, and real-environment interactions are expensive, risky, and quick
Spatiotemporal partial differential equations (PDEs) underpin a wide range of scientific and engineering applications, yet classical solvers are computationally costly on large or irregular domains. Neural PDE solvers have emerged as an efficient alternative, but they struggle to generalize to unsee…
Zero-shot coordination(ZSC), a key challenge in multi-agent game theory, has become a hot topic in reinforcement learning (RL) research recently, especially in complex evolving games. It focuses on the generalization ability of agents, requiring them to coordinate well with collaborators from a dive
The structural organization of language models plays a crucial role in the inference process of large language models (LLMs), occurring both iteratively within a single model for test-time scaling and interactively across multiple models for collaborative intelligence. While current systems primaril…
The pursuit of computational efficiency has driven the adoption of low-precision formats for training transformer models. However, this progress is often hindered by notorious training instabilities. This paper provides the first mechanistic explanation for a long-standing and unresolved failure cas…
LLM-based mobile GUI agents usually invoke large models for nearly every micro-action, making real-device automation slow even when similar workflows have been completed before. We present vSpeedUI, a public demo system that turns past GUI experience into fast executable plans. It organizes historic
As large language models (LLMs) are increasingly used as personalized user assistants, effectively adapting to users' evolving preferences is critical for delivering high-quality personalized responses. While user preferences are often stable in content, their relative strengths shift over time due…
Effective decision-making on networks often relies on learning from graph-structured data, where Graph Neural Networks (GNNs) play a central role, but they take efforts to configure and tune. In this demo, we propose LLMNet, showing how to design GNN automated through Large Language Models. Our syst
Despite their wide application across various fields, current molecular property prediction models struggle with the challenge of activity cliff, which refers to the situation where molecules with similar chemical structures display remarkable different properties. This phenomenon hinders existing m…
Advancements in the text-to-image diffusion model have raised security concerns due to their potential to generate images with inappropriate themes such as societal biases and copyright infringements. Current studies have made notable progress in preventing the model from generating images containin…
Recently, there has been a surge of interest in extending the success of large language models (LLMs) from texts to molecules. Most existing approaches adopt a graph neural network to represent a molecule as a series of node tokens for molecule-language alignment, which, however, have overlooked the…
Meta-learning enables learning systems to adapt quickly to new tasks, similar to humans. Different meta-learning approaches all work under/with the mini-batch episodic training framework. Such framework naturally gives the information about task identity, which can serve as additional supervision f…
Large Language Models (LLMs) excel in network algorithm design but suffer from inefficient iterative coding and high computational costs. Drawing inspiration from butterfly metamorphosis—where structured developmental phases (Phase I: larval nutrient accumulation → Phase II: pupal transformation) en…
Model merging enables powerful capabilities in neural networks without requiring additional training. In this paper, we introduce a novel perspective on model merging by leveraging the fundamental mechanisms of neural network representation. Our approach is motivated by the linear representation hyp
Generating high-quality Multiple Choice Questions (MCQs) remains challenging for educational tools due to the need for contextual relevance and plausible distractors. Existing methods still struggle with these dual requirements, leading to questions that lack depth and distractors that are either to…
The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that fail to equally integrate molecule and text modalities and lack e
We explore in-context learning (ICL) models from a learning-to-learn perspective. Unlike studies that identify specific learning algorithms in ICL models, we compare ICL models with typical meta-learners to understand their superior performance. We theoretically prove the expressiveness of ICL model…
Subgraph-based methods have proven to be effective and interpretable in predicting drug-drug interactions (DDIs), which are essential for medical practice and drug development. Subgraph selection and encoding are critical stages in these methods, yet customizing these components remains underexplo…
To deduce new facts on a knowledge graph (KG), a link predictor learns from the graph structure and collects local evidence to find the answer to a given query. However, existing methods suffer from a severe scalability problem due to the utilization of the whole KG for prediction, which hinders the…
Molecular property prediction (MPP) plays a crucial role in biomedical applications, but it often encounters challenges due to a scarcity of labeled data. Existing works commonly adopt gradient-based strategy to update a large amount of parameters for task-level adaptation. However, the increase of…
Communication in multi-agent reinforcement learning (MARL) has been proven to effectively promote cooperation among agents recently. Since communication in real-world scenarios is vulnerable to noises and adversarial attacks, it is crucial to develop robust communicative MARL technique. However, exi…
Relational structured data is a way of representing knowledge using nodes and edges, while also capturing the meaning of that knowledge in a structured form that can be used for machine learning. Compared with vision and natural language data, relational structured data represents and manipulates st…
Rule learning is critical to improving knowledge graph (KG) reasoning due to their ability to provide logical and interpretable explanations. Recently, Graph Neural Networks (GNNs) with tail entity scoring achieve the state-of-the-art performance on KG reasoning. However, the theoretical understandi…
Although link prediction on graphs has achieved great success with the development of graph neural networks (GNNs), the potential robustness under the edge noise is still less investigated. To close this gap, we first conduct an empirical study to disclose that the edge noise bilaterally perturbs bo…
Privacy and security concerns in real-world applications have led to the development of adversarially robust federated models. However, the straightforward combination between adversarial training and federated learning in one framework can lead to the undesired robustness deterioration. We discover…
As hyper-parameters are ubiquitous and can significantly affect the model performance, hyper-parameter optimization is extremely important in machine learning. In this paper, we consider a sub-class of hyper-parameter optimization problems, where the hyper-gradients are not available. Such problems…
Graph-structured physical mechanisms are ubiquitous in real-world scenarios, thus revealing underneath formulas is of great importance for scientific discovery. However, classical symbolic regression methods fail on this task since they can only handle input-output pairs that are not graph-structure…
Although powerful graph neural networks (GNNs) have boosted numerous real-world applications, the potential privacy risk is still underexplored. To close this gap, we perform the first comprehensive study of graph reconstruction attack that aims to reconstruct the adjacency of nodes. We show that a…
While hyper-parameters (HPs) are important for knowledge graph (KG) learning, existing methods fail to search them efficiently. To solve this problem, we first analyze the properties of different HPs and measure the transfer ability from small subgraph to the full graph. Based on the analysis, we pr…
In this paper, we study nonconvex tensor robust principal component analysis (RPCA) based on the $t$-SVD. We first propose an alternating projection method, i.e., APT, which converges linearly to the ground-truth under the incoherence conditions of tensors. However, as the projection to the low-rank…
Completing missing facts is a fundamental task for temporal knowledge graphs (TKGs).Recently, graph neural network (GNN) based methods, which can simultaneously explore topological and temporal information, have become the state-of-the-art (SOTA) to complete TKGs. However, these studies are based on…
Short text classification (STC) is hard as short texts lack context information and labeled data is not enough. Graph neural networks obtain the state-of-the-art on STC since they can merge various auxiliary information via the message passing framework. However, existing works conduct transductive…
"Convolutional neural networks have been widely developed for hyperspectral image (HSI) restoration. However, making full use of the spatial-spectral information of HSIs still remains a challenge. In this work, we disentangle the 3D convolution into lightweight 2D spatial and spectral convolutions,…
Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture such an important property. To make GNN aware of automorphic eq…
Short text classification is a fundamental task in natural language processing. It is hard due to the lack of context information and labeled data in practice. In this paper, we propose a new method called SHINE, which is based on graph neural network (GNN), for short text classification. First, we…
Deep sparse networks (DSNs), of which the crux is exploring the high-order feature interactions, have become the state-of-the-art on the prediction task with high-sparsity features. However, these models suffer from low computation efficiency, including large model size and slow model inference, whi…
Molecular property prediction plays a fundamental role in drug discovery to identify candidate molecules with target properties. However, molecular property prediction is essentially a few-shot problem, which makes it hard to use regular machine learning models. In this paper, we propose Property-Aw…
Scene text recognition (STR) is challenging due to the diversity of text instances and the complexity of scenes. However, no STR methods can adapt backbones to different diversities and complexities. In this work, inspired by the success of neural architecture search (NAS), we propose automated STR…
Knowledge graph (KG) embedding is well-known in learning representations of KGs. Many models have been proposed to learn the interactions between entities and relations of the triplets. However, long-term information among multiple triplets is also important to KG. In this work, based on the relatio…
Given data with noisy labels, over-parameterized deep networks can gradually memorize the data, and fit everything in the end. Although equipped with corrections for noisy labels, many learning methods in this area still suffer overfitting due to undesired memorization. In this paper, to relieve thi…
Sample selection approaches are popular in robust learning from noisy labels. However, how to properly control the selection process so that deep networks can benefit from the memorization effect is a hard problem. In this paper, motivated by the success of automated machine learning (AutoML), we mo…
Negative sampling approaches are prevalent in implicit collaborative filtering for obtaining negative labels from massive unlabeled data. As two major concerns in negative sampling, efficiency and effectiveness are still not fully achieved by recent works that use complicate structures and overlook ri…
Nonconvex regularizers have been successfully used in low-rank matrix learning. In this paper, we extend this to the more challenging problem of low-rank tensor completion. Based on the proximal average algorithm, we develop an efficient solver that avoids expensive tensor folding and unfolding. A s…
Non-local low-rank tensor approximation has been developed as a state-of-the-art method for hyperspectral image (HSI) denoising. Unfortunately, while their denoising performance benefits little from more spectral bands, the running time of these methods significantly increases. In this paper, we cla…
Deep learning with noisy labels is practically challenging, as the capacity of deep models is so high that they can totally memorize these noisy labels sooner or later during training. Nonetheless, recent studies on the memorization effects of deep neural networks show that they would first memorize…
Convolutional sparse coding (CSC) has been popularly used for the learning of shift-invariant dictionaries in image and signal processing. However, existing methods have limited scalability. In this paper, instead of convolving with a dictionary shared by all samples, we propose the use of a sample-…
Robust matrix factorization (RMF), which uses the $\ell_1$-loss, often outperforms standard matrix factorization using the $\ell_2$-loss, particularly when outliers are present. The state-of-the-art RMF solver is the RMF-MM algorithm, which, however, cannot utilize data sparsity. Moreover, sometimes…
Deep neural network models, though very powerful and highly successful, are computationally expensive in terms of space and time. Recently, there have been a number of attempts on binarizing the network weights and activations. This greatly reduces the network size, and replaces the underlying multi…
The use of convex regularizers allow for easy optimization, though they often produce biased estimation and inferior prediction performance. Recently, nonconvex regularizers have attracted a lot of attention and outperformed convex ones. However, the resultant optimization problem is much harder. In…