48 accepted papers
We introduce SEINT, a novel Special Euclidean group-Invariant (SE(\emph{p})) metric for comparing probability distributions on $p$-dimensional measured Banach spaces. Existing SE(\emph{p})-invariant alignment methods often face high computational costs or lack metric guarantees. To overcome these li…
Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties. This task is challenging because a cyclic peptide often exhibits diverse, ring-shaped conformations, which cannot be well captured by deterministic predicti…
The generative mechanisms behind real-world event sequences are often heterogeneous, leading to data that possesses inherent clustering structures. However, most existing temporal point processes (TPPs) treat different event sequences independently, without leveraging the clustering structures when
As a challenging video editing task, movie trailer generation involves selecting and reorganizing movie shots to create engaging trailers. Currently, most existing automatic trailer generation methods employ a "selection-then-ranking" paradigm (i.e., first selecting key shots and then ranking them),
In this paper, we investigate code-integrated reasoning (CIR), where models generate code when necessary and integrate feedback by executing it through a code interpreter. To acquire this capability, models must learn when and how to use external code tools effectively, which is supported by tool-au
An event sequence generated by a temporal point process is often associated with a hidden and structured event branching process that captures the triggering relations between its historical and current events. In this study, we design a new plug-and-play module based on the Bregman ADMM (BADMM) al…
Multi-modal learning aims to learn predictive models based on the data from different modalities. However, due to the requirement of data security and privacy protection, real-world multi-modal data are often scattered to different agents and cannot be shared across the agents, which limits the app…
This paper addresses a promising yet underexplored task, Image-to-Sounding-Video (I2SV) generation, which animates a static image and generates synchronized sound simultaneously. Despite advances in video and audio generation models, challenges remain to develop a unified model for generating natura…
As a very common type of video, face videos often appear in movies, talk shows, live broadcasts, and other scenes. Real-world online videos are often plagued by degradations such as blurring and quantization noise, due to the high compression ratio caused by high communication costs and limited tran…
Adapting large-scale foundation models in multi-task scenarios often suffers from task conflict and oblivion. To mitigate such issues, we propose a novel "model MoE-ization" strategy that leads to a conflict- and oblivion-resistant multi-task adaptation method. Given a weight matrix of a pre-traine…
Polymer conformation generation is a critical task that enables atomic-level studies of diverse polymer materials. While significant advances have been made in designing conformation generation methods for small molecules and proteins, these methods struggle to generate polymer conformations due to…
Spectral graph learning builds upon two foundations: Graph Fourier basis as its theoretical cornerstone,with polynomial approximation to enable practical implementation. While this framework has led to numerous successful designs, we argue that its effectiveness might stem from mechanisms different…
Protein backbone generation plays a central role in de novo protein design and is significant for many biological and medical applications. Although diffusion and flow-based generative models provide potential solutions to this challenging task, they often generate proteins with undesired designabil…
Domain adaptation aims to align the data scattered in different domains, which is important for developing generalizable machine learning models. However, real-world data in different domains are often heterogeneous, requiring alignment at both sample and feature levels. In this study, we develop a…
Predicting molecular ground-state conformation (i.e., energy-minimized conformation) is crucial for many chemical applications such as molecular docking and property prediction. Classic energy-based simulation is time-consuming when solving this problem, while existing learning-based methods have a…
As a fundamental problem of graph analysis, graph visualization aims to embed a set of graphs in a low-dimensional (e.g., 2D) space and provide insights into their distribution and clustering structure. Focusing on this problem, we propose a novel Wasserstein t-distributed embedding (WatE) method,…
As an essential movie promotional tool, trailers are designed to capture the audience's interest through the skillful editing of key movie shots. Although some attempts have been made for automatic trailer generation, existing methods often rely on predefined rules or manual fine-grained annotations
Graph neural networks have been widely used to represent 3D molecules, which capture molecular attributes and geometric information through various message-passing mechanisms. This study proposes a novel quaternion message-passing (QMP) module that can be plugged into many existing 3D molecular repr…
While following different technical routes, both low-rank and orthogonal adaptation techniques can efficiently adapt large-scale pre-training models in specific tasks or domains based on a small piece of trainable parameters. In this study, we bridge the gap between these two techniques, proposing a…
Many existing anomaly detection methods assume the availability of a large-scale normal dataset. But for many applications, limited by resources, removing all anomalous samples from a large un-labeled dataset is unrealistic, resulting in contaminated datasets. To detect anomalies accurately under su…
As a significant step for human face modeling editing and generation face landmarking aims at extracting facial keypoints from images. A generalizable face landmarker is required in practice because real-world facial images e.g. the avatars in animations and games are often stylized in various ways.…
As an important mathematical concept, fractals commonly appear in nature and inspire the design of many artistic works. Although we can generate various fractal images easily based on different iterated function systems (IFSs), inferring an IFS from a given fractal image is still a challenging inve…
Network alignment aims at finding the correspondence of nodes across different networks, which is significant for many applications, e.g., fraud detection and crime network tracing across platforms. In practice, however, accessing the topological information of different networks is often restrict…
As a fundamental problem in Operations Research, sparse process flexibility design (SPFD) aims to design a manufacturing network across industries that achieves a trade-off between the efficiency and robustness of supply chains. In this study, we propose a novel solution to this problem with the h…
Instead of searching the entire network directly, current NAS approaches increasingly search for multiple relatively small cells to reduce search costs. A major challenge is to jointly measure the similarity of cell micro-architectures and the difference in macro-architectures between different cell…
As an important sequential model, the temporal point process (TPP) plays a central role in real-world sequence modeling and analysis, whose learning is often based on the maximum likelihood estimation (MLE). However, due to imperfect observations, such as incomplete and sparse sequences that are com…
Real-world graphs like social networks are often evolutionary over time, whose observations at different timestamps lead to graph sequences. Modeling such evolutionary graphs is important for many applications, but solving this problem often requires the correspondence between the graphs at differen…
Molecular representation learning (MRL) has gained tremendous attention due to its critical role in learning from limited supervised data for applications like drug design. In most MRL methods, molecules are treated as 1D sequential tokens or 2D topology graphs, limiting their ability to incorporate…
When applying multi-instance learning (MIL) to make predictions for bags of instances, the prediction accuracy of an instance often depends on not only the instance itself but also its context in the corresponding bag. From the viewpoint of causal inference, such bag contextual prior works as a conf…
Poster generation is a significant task for a wide range of applications, which is often time-consuming and requires lots of manual editing and artistic experience. In this paper, we propose a novel data-driven framework, called Text2Poster, to automatically generate visually-effective posters from…
We consider a regression problem, where the correspondence between the input and output data is not available. Such shuffled data are commonly observed in many real world problems. Take flow cytometry as an example: the measuring instruments are unable to preserve the correspondence between the samp…
Many representative graph neural networks, $e.g.$, GPR-GNN and ChebNet, approximate graph convolutions with graph spectral filters. However, existing work either applies predefined filter weights or learns them without necessary constraints, which may lead to oversimplified or ill-posed filters. To…
We propose a novel and principled method to learn a nonparametric graph model called graphon, which is defined in an infinite-dimensional space and represents arbitrary-size graphs. Based on the weak regularity lemma from the theory of graphons, we leverage a step function to approximate a graphon.…
We propose a new algorithmic framework for learning autoencoders of data distributions. In this framework, we minimize the discrepancy between the model distribution and the target one, with relational regularization on learnable latent prior. This regularization penalizes the fused Gromov-Wasserste…
We propose a novel quaternion product unit (QPU) to represent data on 3D rotation groups. The QPU leverages quaternion algebra and the law of 3D rotation group, representing 3D rotation data as quaternions and merging them via a weighted chain of Hamilton products. We prove that the representations…
A novel Gromov-Wasserstein learning framework is proposed to jointly match (align) graphs and learn embedding vectors for the associated graph nodes. Using Gromov-Wasserstein discrepancy, we measure the dissimilarity between two graphs and find their correspondence, according to the learned optimal…
We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a pseudometric on graphs. Given two graphs, the optimal transpo…
The superposition of temporal point processes has been studied for many years, although the usefulness of such models for practical applications has not be fully developed. We investigate superposed Hawkes process as an important class of such models, with properties studied in the framework of leas…
We propose a novel Wasserstein method with a distillation mechanism, yielding joint learning of word embeddings and topics. The proposed method is based on the fact that the Euclidean distance between word embeddings may be employed as the underlying distance in the Wasserstein topic model. The wo…
A parametric point process model is developed, with modeling based on the assumption that sequential observations often share latent phenomena, while also possessing idiosyncratic effects. An alternating optimization method is proposed to learn a “registered” point process that accounts for shared s…
Transferring a low-dynamic-range (LDR) image to a high-dynamic-range (HDR) image, which is the so-called inverse tone mapping (iTM), is an important imaging technique to improve visual effects of imaging devices. In this paper, we propose a novel deep learning-based iTM method, which learns an inver…
Neural networks in the real domain have been studied for a long time and achieved promising results in many vision tasks for recent years. However, the extensions of the neural network models in other number fields and their potential applications are not fully-investigated yet. Focusing on color im…
How to cluster event sequences generated via different point processes is an interesting and important problem in statistical machine learning. To solve this problem, we propose and discuss an effective model-based clustering method based on a novel Dirichlet mixture model of a special but signific…
Fractal analysis has been widely used in computer vision, especially in texture image processing and texture analysis. The key concept of fractal-based image model is the fractal dimension, which is invariant to bi-Lipschitz transformation of image, and thus capable of representing intrinsic struct…
Many real-world applications require robust algorithms to learn point process models based on a type of incomplete data — the so-called short doubly-censored (SDC) event sequences. In this paper, we study this critical problem of quantitative asynchronous event sequence analysis under the framework…
Learning Granger causality for general point processes is a very challenging task. We propose an effective method learning Granger causality for a special but significant type of point processes — Hawkes processes. Focusing on Hawkes processes, we reveal the relationship between Hawkes process’s imp…
Graph matching has a wide spectrum of real-world applications and in general is known NP-hard. In many vision tasks, one realistic problem arises for finding the global node mappings across a batch of corrupted weighted graphs. This paper is an attempt to connect graph matching, especially multi-gra…
This paper proposes a shrinkage-based framework for unsupervised trajectory clustering. Facing to the challenges of trajectory clustering, e.g., large variations within a cluster and ambiguities across clusters, we first introduce an adaptive multi-kernel-based estimation process to estimate the `sh…