Vinh Tong

Vinh Tong, Dat Quoc Nguyen, Trung Thanh Huynh et al.

Knowledge graph (KG) alignment and completion are usually treated as two independent tasks. While recent work has leveraged entity and relation alignments from multiple KGs, such as alignments between multilingual KGs with common entities and relations, a deeper understanding of the ways in which multilingual KG completion (MKGC) can aid the creation of multilingual KG alignments (MKGA) is still limited. Motivated by the observation that structural inconsistencies -- the main challenge for MKGA models -- can be mitigated through KG completion methods, we propose a novel model for jointly completing and aligning knowledge graphs. The proposed model combines two components that jointly accomplish KG completion and alignment. These two components employ relation-aware graph neural networks that we propose to encode multi-hop neighborhood structures into entity and relation representations. Moreover, we also propose (i) a structural inconsistency reduction mechanism to incorporate information from the completion into the alignment component, and (ii) an alignment seed enlargement and triple transferring mechanism to enlarge alignment seeds and transfer triples during KGs alignment. Extensive experiments on a public multilingual benchmark show that our proposed model outperforms existing competitive baselines, obtaining new state-of-the-art results on both MKGC and MKGA tasks. We publicly release the implementation of our model at https://github.com/vinhsuhi/JMAC

Duy Minh Ho Nguyen, Tan Ngoc Pham, Nghiem Tuong Diep et al.

Constructing a robust model that can effectively generalize to test samples under distribution shifts remains a significant challenge in the field of medical imaging. The foundational models for vision and language, pre-trained on extensive sets of natural image and text data, have emerged as a promising approach. It showcases impressive learning abilities across different tasks with the need for only a limited amount of annotated samples. While numerous techniques have focused on developing better fine-tuning strategies to adapt these models for specific domains, we instead examine their robustness to domain shifts in the medical image segmentation task. To this end, we compare the generalization performance to unseen domains of various pre-trained models after being fine-tuned on the same in-distribution dataset and show that foundation-based models enjoy better robustness than other architectures. From here, we further developed a new Bayesian uncertainty estimation for frozen models and used them as an indicator to characterize the model's performance on out-of-distribution (OOD) data, proving particularly beneficial for real-world applications. Our experiments not only reveal the limitations of current indicators like accuracy on the line or agreement on the line commonly used in natural image applications but also emphasize the promise of the introduced Bayesian uncertainty. Specifically, lower uncertainty predictions usually tend to higher out-of-distribution (OOD) performance.

Vinh Tong, Hoang Trung-Dung, Anji Liu et al.

Diffusion Probabilistic Models (DPMs) are generative models showing competitive performance in various domains, including image synthesis and 3D point cloud generation. Sampling from pre-trained DPMs involves multiple neural function evaluations (NFEs) to transform Gaussian noise samples into images, resulting in higher computational costs compared to single-step generative models such as GANs or VAEs. Therefore, reducing the number of NFEs while preserving generation quality is crucial. To address this, we propose LD3, a lightweight framework designed to learn the optimal time discretization for sampling. LD3 can be combined with various samplers and consistently improves generation quality without having to retrain resource-intensive neural networks. We demonstrate analytically and empirically that LD3 improves sampling efficiency with much less computational overhead. We evaluate our method with extensive experiments on 7 pre-trained models, covering unconditional and conditional sampling in both pixel-space and latent-space DPMs. We achieve FIDs of 2.38 (10 NFE), and 2.27 (10 NFE) on unconditional CIFAR10 and AFHQv2 in 5-10 minutes of training. LD3 offers an efficient approach to sampling from pre-trained diffusion models. Code is available at https://github.com/vinhsuhi/LD3.

Vinh Tong, Hoang Trung-Dung, Anji Liu et al.

In domains such as molecular and protein generation, physical systems exhibit inherent symmetries that are critical to model. Two main strategies have emerged for learning invariant distributions: designing equivariant network architectures and using data augmentation to approximate equivariance. While equivariant architectures preserve symmetry by design, they often involve greater complexity and pose optimization challenges. Data augmentation, on the other hand, offers flexibility but may fall short in fully capturing symmetries. Our framework enhances both approaches by reducing training variance and providing a provably lower-variance gradient estimator. We achieve this by interpreting data augmentation as a Monte Carlo estimator of the training gradient and applying Rao-Blackwellization. This leads to more stable optimization, faster convergence, and reduced variance, all while requiring only a single forward and backward pass per sample. We also present a practical implementation of this estimator incorporating the loss and sampling procedure through a method we call Orbit Diffusion. Theoretically, we guarantee that our loss admits equivariant minimizers. Empirically, Orbit Diffusion achieves state-of-the-art results on GEOM-QM9 for molecular conformation generation, improves crystal structure prediction, and advances text-guided crystal generation on the Perov-5 and MP-20 benchmarks. Additionally, it enhances protein designability in protein structure generation. Code is available at: https://github.com/vinhsuhi/Orbit-Diffusion.git.

Vinh Van Tong, Thanh Trung Huynh, Thanh Tam Nguyen et al.

Knowledge graph (KG) alignment - the task of recognizing entities referring to the same thing in different KGs - is recognized as one of the most important operations in the field of KG construction and completion. However, existing alignment techniques often assume that the input KGs are complete and isomorphic, which is not true due to the real-world heterogeneity in the domain, size, and sparsity. In this work, we address the problem of aligning incomplete KGs with representation learning. Our KG embedding framework exploits two feature channels: transitivity-based and proximity-based. The former captures the consistency constraints between entities via translation paths, while the latter captures the neighbourhood structure of KGs via attention guided relation-aware graph neural network. The two feature channels are jointly learned to exchange important features between the input KGs while enforcing the output representations of the input KGs in the same embedding space. Also, we develop a missing links detector that discovers and recovers the missing links in the input KGs during the training process, which helps mitigate the incompleteness issue and thus improve the compatibility of the learned representations. The embeddings then are fused to generate the alignment result, and the high-confidence matched node pairs are updated to the pre-aligned supervision data to improve the embeddings gradually. Empirical results show that our model is more accurate than the SOTA and is robust against different levels of incompleteness.

Vinh Tong, Dai Quoc Nguyen, Dinh Phung et al.

We present an effective graph neural network (GNN)-based knowledge graph embedding model, which we name WGE, to capture entity- and relation-focused graph structures. Given a knowledge graph, WGE builds a single undirected entity-focused graph that views entities as nodes. WGE also constructs another single undirected graph from relation-focused constraints, which views entities and relations as nodes. WGE then proposes a GNN-based architecture to better learn vector representations of entities and relations from these two single entity- and relation-focused graphs. WGE feeds the learned entity and relation representations into a weighted score function to return the triple scores for knowledge graph completion. Experimental results show that WGE outperforms strong baselines on seven benchmark datasets for knowledge graph completion.

Dai Quoc Nguyen, Vinh Tong, Dinh Phung et al.

We introduce a novel embedding model, named NoGE, which aims to integrate co-occurrence among entities and relations into graph neural networks to improve knowledge graph completion (i.e., link prediction). Given a knowledge graph, NoGE constructs a single graph considering entities and relations as individual nodes. NoGE then computes weights for edges among nodes based on the co-occurrence of entities and relations. Next, NoGE proposes Dual Quaternion Graph Neural Networks (DualQGNN) and utilizes DualQGNN to update vector representations for entity and relation nodes. NoGE then adopts a score function to produce the triple scores. Comprehensive experimental results show that NoGE obtains state-of-the-art results on three new and difficult benchmark datasets CoDEx for knowledge graph completion.