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Researcher profile

Reza Haffari

Reza Haffari contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Artificial IntelligenceMachine LearningComputation and LanguageComputer Vision

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Published work

3 published item(s)

preprint2026arXiv

VQ-SAD: Vector Quantized Structure Aware Diffusion For Molecule Generation

Many diffusion based molecule generation methods ignore the symbolic information of molecules and represent the atom and bond type as one hot representation. Methods based on Morgan fingerprints produce hash collisions and are hard to embed into a continuous space without information loss and random fingerprints correspond to no valid molecule. To circumvent this issue we use another paradigm and consider atom and bond codes as latent variables of VQ-VAE. We introduce VQ-SAD which first trains a VQ-VAE and uses the frozen pretrained VQ-VAE model and considers the codebooks for both atom and bond types as tokenizers for the downstream diffusion process. VQ-SAD is a neuro-symbolic model that utilizes both symbolic and neural structural information for a diffusion based model with learnable forward process. The large discrete code space provides a more balanced atom and bond types which enhances the denoising process. VQ-VAE slightly outperforms SOTA models for diffusion based molecule generation on QM9 and ZINC250k datasets.

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preprint2022arXiv

Active Learning by Feature Mixing

The promise of active learning (AL) is to reduce labelling costs by selecting the most valuable examples to annotate from a pool of unlabelled data. Identifying these examples is especially challenging with high-dimensional data (e.g. images, videos) and in low-data regimes. In this paper, we propose a novel method for batch AL called ALFA-Mix. We identify unlabelled instances with sufficiently-distinct features by seeking inconsistencies in predictions resulting from interventions on their representations. We construct interpolations between representations of labelled and unlabelled instances then examine the predicted labels. We show that inconsistencies in these predictions help discovering features that the model is unable to recognise in the unlabelled instances. We derive an efficient implementation based on a closed-form solution to the optimal interpolation causing changes in predictions. Our method outperforms all recent AL approaches in 30 different settings on 12 benchmarks of images, videos, and non-visual data. The improvements are especially significant in low-data regimes and on self-trained vision transformers, where ALFA-Mix outperforms the state-of-the-art in 59% and 43% of the experiments respectively.

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preprint2021arXiv

Curriculum-Meta Learning for Order-Robust Continual Relation Extraction

Continual relation extraction is an important task that focuses on extracting new facts incrementally from unstructured text. Given the sequential arrival order of the relations, this task is prone to two serious challenges, namely catastrophic forgetting and order-sensitivity. We propose a novel curriculum-meta learning method to tackle the above two challenges in continual relation extraction. We combine meta learning and curriculum learning to quickly adapt model parameters to a new task and to reduce interference of previously seen tasks on the current task. We design a novel relation representation learning method through the distribution of domain and range types of relations. Such representations are utilized to quantify the difficulty of tasks for the construction of curricula. Moreover, we also present novel difficulty-based metrics to quantitatively measure the extent of order-sensitivity of a given model, suggesting new ways to evaluate model robustness. Our comprehensive experiments on three benchmark datasets show that our proposed method outperforms the state-of-the-art techniques. The code is available at the anonymous GitHub repository: https://github.com/wutong8023/AAAI_CML.

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