28 accepted papers
Modeling 3D dynamics is a fundamental problem in multi-body systems across scientific and engineering domains and has important practical implications in trajectory prediction and simulation. While recent GNN-based approaches have achieved strong performance by enforcing geometric symmetries, encodi…
Generative models play an important role in missing data imputation in that they aim to learn the joint distribution of full data. However, applying advanced deep generative models (such as Diffusion models) to missing data imputation is challenging due to 1) the inherent incompleteness of the train…
Predicting labels directly from data has been the standard in label learning tasks, e.g., supervised learning, where models often prioritize feature compression and extraction from inputs under the assumption that label information is less complex. However, recent prediction tasks often face predict…
The energy-based model provides a unified framework for various learning models where an energy value is assigned to each configuration of random variables based on probability. Recently, different methods have been proposed to derive an energy value out of the logits of a classifier for out-of-dist…
Sequential Recommendation (SR) task involves predicting the next item a user is likely to interact with, given their past interactions. The SR models examine the sequence of a user's actions to discern more complex behavioral patterns and temporal dynamics. Recent research demonstrates the great i…
The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how machine learning models generalize under topological shifts. T…
While autoregressive models dominate natural language generation, their application to tabular data remains limited due to two challenges: 1) tabular data contains heterogeneous types, whereas autoregressive next-token (distribution) prediction is designed for discrete data, and 2) tabular data is c…
Despite the rich line of research works on out-of-distribution (OOD) detection on images, the literature on OOD detection for interdependent data, e.g., graphs, is still relatively limited. To fill this gap, we introduce TopoOOD as a principled approach that accommodates graph topology and neighborh…
A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions they can represent, but whether GNNs will learn desired functi…
Real-world data generation often involves certain geometries (e.g., graphs) that induce instance-level interdependence. This characteristic makes the generalization of learning models more difficult due to the intricate interdependent patterns that impact data-generative distributions and can vary f…
The diversity of tables makes table detection a great challenge, leading to existing models becoming more tedious and complex. Despite achieving high performance, they often overfit to the table style in training set, and suffer from significant performance degradation when encountering out-of-distr…
Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired instance representations. To this end, we introduce an energy con…
Representation learning on semi-structured data, e.g., graphs, has become a central problem in deep learning community as relational structures are pervasive in real situations and induce data inter-dependence that hinders trivial adaptation of existing approaches in other domains where the inputs a…
Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes. While conventional wisdom commonly attributes the success of G…
Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown promising performance on small graphs due to its global atte…
The issue of distribution shifts is emerging as a critical concern in graph representation learning. From the perspective of invariant learning and stable learning, a recently well-established paradigm for out-of-distribution generalization, stable features of the graph are assumed to causally deter…
We study a new paradigm of knowledge transfer that aims at encoding graph topological information into graph neural networks (GNNs) by distilling knowledge from a teacher GNN model trained on a complete graph to a student GNN model operating on a smaller or sparser graph. To this end, we revisit the…
Despite the remarkable success of graph neural networks (GNNs) for graph representation learning, they are generally built on the (unreliable) i.i.d. assumption across training and testing data. However, real-world graph data are universally comprised of outliers in training set and out-of-distribut…
There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean data, and its formulation for graph-structured data is not clea…
Molecule representation learning (MRL) has been extensively studied and current methods have shown promising power for various tasks, e.g., molecular property prediction and target identification. However, a common hypothesis of existing methods is that either the model development or experimental…
Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge incompleteness and particularly, the absence of graphs altogether.…
The goal of sequential event prediction is to estimate the next event based on a sequence of historical events, with applications to sequential recommendation, user behavior analysis and clinical treatment. In practice, the next-event prediction models are trained with sequential data collected at o…
Collaborative filtering (CF), as a standard method for recommendation with implicit feedback, tackles a semi-supervised learning problem where most interaction data are unobserved. Such a nature makes existing approaches highly rely on mining negatives for providing correct training signals. However…
There are two types of deep generative models: explicit and implicit. The former defines an explicit density form that allows likelihood inference; while the latter targets a flexible transformation from random noise to generated samples. While the two classes of generative models have shown great…
We introduce a conceptually simple yet effective model for self-supervised representation learning with graph data. It follows the previous methods that generate two views of an input graph through data augmentation. However, unlike contrastive methods that focus on instance-level discrimination, we…
We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The problem is of much significance for dealing with features incre…
Recommendation models can effectively estimate underlying user interests and predict one’s future behaviors by factorizing an observed user-item rating matrix into products of two sets of latent factors. However, the user-specific embedding factors can only be learned in a transductive way, making i…
We target modeling latent dynamics in high-dimension marked event sequences without any prior knowledge about marker relations. Such problem has been rarely studied by previous works which would have fundamental difficulty to handle the arisen challenges: 1) the high-dimensional markers and unknown…