Khiem Le

Khiem H. Le, Hieu H. Pham, Thao B. T. Nguyen et al.

Nowadays, an increasing number of people are being diagnosed with cardiovascular diseases (CVDs), the leading cause of death globally. The gold standard for identifying these heart problems is via electrocardiogram (ECG). The standard 12-lead ECG is widely used in clinical practice and the majority of current research. However, using a lower number of leads can make ECG more pervasive as it can be integrated with portable or wearable devices. This article introduces two novel techniques to improve the performance of the current deep learning system for 3-lead ECG classification, making it comparable with models that are trained using standard 12-lead ECG. Specifically, we propose a multi-task learning scheme in the form of the number of heartbeats regression and an effective mechanism to integrate patient demographic data into the system. With these two advancements, we got classification performance in terms of F1 scores of 0.9796 and 0.8140 on two large-scale ECG datasets, i.e., Chapman and CPSC-2018, respectively, which surpassed current state-of-the-art ECG classification methods, even those trained on 12-lead data. To encourage further development, our source code is publicly available at https://github.com/lhkhiem28/LightX3ECG.

Cuong V. Nguyen, Khiem H. Le, Anh M. Tran et al.

Transfer learning plays an essential role in Deep Learning, which can remarkably improve the performance of the target domain, whose training data is not sufficient. Our work explores beyond the common practice of transfer learning with a single pre-trained model. We focus on the task of Vietnamese sentiment classification and propose LIFA, a framework to learn a unified embedding from several pre-trained models. We further propose two more LIFA variants that encourage the pre-trained models to either cooperate or compete with one another. Studying these variants sheds light on the success of LIFA by showing that sharing knowledge among the models is more beneficial for transfer learning. Moreover, we construct the AISIA-VN-Review-F dataset, the first large-scale Vietnamese sentiment classification database. We conduct extensive experiments on the AISIA-VN-Review-F and existing benchmarks to demonstrate the efficacy of LIFA compared to other techniques. To contribute to the Vietnamese NLP research, we publish our source code and datasets to the research community upon acceptance.

Khiem H. Le, Hieu H. Pham, Thao BT. Nguyen et al.

Cardiovascular diseases (CVDs) are a group of heart and blood vessel disorders that is one of the most serious dangers to human health, and the number of such patients is still growing. Early and accurate detection plays a key role in successful treatment and intervention. Electrocardiogram (ECG) is the gold standard for identifying a variety of cardiovascular abnormalities. In clinical practices and most of the current research, standard 12-lead ECG is mainly used. However, using a lower number of leads can make ECG more prevalent as it can be conveniently recorded by portable or wearable devices. In this research, we develop a novel deep learning system to accurately identify multiple cardiovascular abnormalities by using only three ECG leads.

Khiem H. Le, Tuan V. Tran, Hieu H. Pham et al.

Building an accurate computer-aided diagnosis system based on data-driven approaches requires a large amount of high-quality labeled data. In medical imaging analysis, multiple expert annotators often produce subjective estimates about "ground truth labels" during the annotation process, depending on their expertise and experience. As a result, the labeled data may contain a variety of human biases with a high rate of disagreement among annotators, which significantly affect the performance of supervised machine learning algorithms. To tackle this challenge, we propose a simple yet effective approach to combine annotations from multiple radiology experts for training a deep learning-based detector that aims to detect abnormalities on medical scans. The proposed method first estimates the ground truth annotations and confidence scores of training examples. The estimated annotations and their scores are then used to train a deep learning detector with a re-weighted loss function to localize abnormal findings. We conduct an extensive experimental evaluation of the proposed approach on both simulated and real-world medical imaging datasets. The experimental results show that our approach significantly outperforms baseline approaches that do not consider the disagreements among annotators, including methods in which all of the noisy annotations are treated equally as ground truth and the ensemble of different models trained on different label sets provided separately by annotators.

Hieu H. Pham, Khiem H. Le, Tuan V. Tran et al.

The work discusses the use of machine learning algorithms for anomaly detection in medical image analysis and how the performance of these algorithms depends on the number of annotators and the quality of labels. To address the issue of subjectivity in labeling with a single annotator, we introduce a simple and effective approach that aggregates annotations from multiple annotators with varying levels of expertise. We then aim to improve the efficiency of predictive models in abnormal detection tasks by estimating hidden labels from multiple annotations and using a re-weighted loss function to improve detection performance. Our method is evaluated on a real-world medical imaging dataset and outperforms relevant baselines that do not consider disagreements among annotators.

Giang Do, Khiem Le, Quang Pham et al.

By routing input tokens to only a few split experts, Sparse Mixture-of-Experts has enabled efficient training of large language models. Recent findings suggest that fixing the routers can achieve competitive performance by alleviating the collapsing problem, where all experts eventually learn similar representations. However, this strategy has two key limitations: (i) the policy derived from random routers might be sub-optimal, and (ii) it requires extensive resources during training and evaluation, leading to limited efficiency gains. This work introduces \HyperRout, which dynamically generates the router's parameters through a fixed hypernetwork and trainable embeddings to achieve a balance between training the routers and freezing them to learn an improved routing policy. Extensive experiments across a wide range of tasks demonstrate the superior performance and efficiency gains of \HyperRouter compared to existing routing methods. Our implementation is publicly available at {\url{https://github.com/giangdip2410/HyperRouter}}.

Khiem Le, Youssef Mroueh, Phuc Nguyen et al.

Large language models trained via next-token prediction are fundamentally pattern-matchers: sensitive to superficial phrasing variations even when the underlying problem is identical. Group Relative Policy Optimization (GRPO) was designed to improve reasoning, but in fact it worsens this situation through two failure modes: diversity collapse, where training amplifies a single solution strategy while ignoring alternatives of gradient signal, and gradient diminishing, where a large portion of questions yield zero gradients because all rollouts receive identical rewards. We propose TA-GRPO (Transform-Augmented GRPO), which generates semantically equivalent transformed variants of each question (via paraphrasing, variable renaming, and format changes) and computes advantages by pooling rewards across the entire group. This pooled computation ensures mixed rewards even when the original question is too easy or too hard, while training on diverse phrasings promotes multiple solution strategies. We provide theoretical justification showing that TA-GRPO reduces zero-gradient probability and improves generalization via reduced train-test distribution shift. Experiments on mathematical reasoning benchmarks show consistent Pass@k improvements, with gains up to 9.84 points on competition math (AMC12, AIME24) and 5.05 points on out-of-distribution scientific reasoning (GPQA-Diamond).

Khiem Le, Ting Hua, Nitesh V. Chawla

Molecular optimization -- modifying a given molecule to improve desired properties -- is a fundamental task in drug discovery. While LLMs hold the potential to solve this task using natural language to drive the optimization, straightforward prompting achieves limited accuracy. In this work, we propose AgentDrug, an agentic workflow that leverages LLMs in a structured refinement process to achieve significantly higher accuracy. AgentDrug defines a nested refinement loop: the inner loop uses feedback from cheminformatics toolkits to validate molecular structures, while the outer loop guides the LLM with generic feedback and a gradient-based objective to steer the molecule toward property improvement. We evaluate AgentDrug on benchmarks with both single- and multi-property optimization under loose and strict thresholds. Results demonstrate significant performance gains over previous methods. With Qwen-2.5-3B, AgentDrug improves accuracy by 20.7\% (loose) and 16.8\% (strict) on six single-property tasks, and by 7.0\% and 5.3\% on eight multi-property tasks. With larger model Qwen-2.5-7B, AgentDrug further improves accuracy on 6 single-property objectives by 28.9\% (loose) and 29.0\% (strict), and on 8 multi-property objectives by 14.9\% (loose) and 13.2\% (strict).

Khiem Le, Sreejata Dey, Marcos Martínez Galindo et al.

Molecular Property Prediction (MPP) is a central task in drug discovery. While Large Language Models (LLMs) show promise as generalist models for MPP, their current performance remains below the threshold for practical adoption. We propose TreeKD, a novel knowledge distillation method that transfers complementary knowledge from tree-based specialist models into LLMs. Our approach trains specialist decision trees on functional group features, then verbalizes their learned predictive rules as natural language to enable rule-augmented context learning. This enables LLMs to leverage structural insights that are difficult to extract from SMILES strings alone. We further introduce rule-consistency, a test-time scaling technique inspired by bagging that ensembles predictions across diverse rules from a Random Forest. Experiments on 22 ADMET properties from the TDC benchmark demonstrate that TreeKD substantially improves LLM performance, narrowing the gap with SOTA specialist models and advancing toward practical generalist models for molecular property prediction.