Viet Anh Nguyen

Bao Nguyen, Hieu Trung Nguyen, Ruifeng She et al.

Selecting an appropriate reasoning method for a given query remains a key challenge in language model generation. Existing approaches typically generate multiple candidate responses and use an aggregation strategy to select the output answer, often assuming that more candidate answers yield higher accuracy. We revisit this assumption through a rigorous theoretical analysis, deriving accuracy bounds for standard aggregation methods under fixed generation distributions and candidate sizes. Building on these insights, we introduce EPIC, an Ensemble Planning with Contrastive learning framework to learn a shared representation space that captures both model reasoning abilities and query-method compatibility. EPIC incorporates our probability bounds as a regularizer in a utility-driven optimization that balances accuracy and computational cost. Experiments on diverse mathematical reasoning tasks show that EPIC consistently selects optimal reasoning methods, improving accuracy while reducing computational overhead. Our code can be found at https://github.com/nguyenngocbaocmt02/EPIC.

Duy Nguyen, Ngoc Bui, Viet Anh Nguyen

Explaining algorithmic decisions and recommending actionable feedback is increasingly important for machine learning applications. Recently, significant efforts have been invested in finding a diverse set of recourses to cover the wide spectrum of users' preferences. However, existing works often neglect the requirement that the recourses should be close to the data manifold; hence, the constructed recourses might be implausible and unsatisfying to users. To address these issues, we propose a novel approach that explicitly directs the diverse set of actionable recourses towards the data manifold. We first find a diverse set of prototypes in the favorable class that balances the trade-off between diversity and proximity. We demonstrate two specific methods to find these prototypes: either by finding the maximum a posteriori estimate of a determinantal point process or by solving a quadratic binary program. To ensure the actionability constraints, we construct an actionability graph in which the nodes represent the training samples and the edges indicate the feasible action between two instances. We then find a feasible path to each prototype, and this path demonstrates the feasible actions for each recourse in the plan. The experimental results show that our method produces a set of recourses that are close to the data manifold while delivering a better cost-diversity trade-off than existing approaches.

Thanh V. T. Tran, Nhat Khang Ngo, Viet Anh Nguyen et al.

Latent space optimization (LSO) is a powerful method for designing discrete, high-dimensional biological sequences that maximize expensive black-box functions, such as wet lab experiments. This is accomplished by learning a latent space from available data and using a surrogate model to guide optimization algorithms toward optimal outputs. However, existing methods struggle when labeled data is limited, as training the surrogate model with few labeled data points can lead to subpar outputs, offering no advantage over the training data itself. We address this challenge by introducing GROOT, a Graph-based Latent Smoothing for Biological Sequence Optimization. In particular, GROOT generates pseudo-labels for neighbors sampled around the training latent embeddings. These pseudo-labels are then refined and smoothed by Label Propagation. Additionally, we theoretically and empirically justify our approach, demonstrate GROOT's ability to extrapolate to regions beyond the training set while maintaining reliability within an upper bound of their expected distances from the training regions. We evaluate GROOT on various biological sequence design tasks, including protein optimization (GFP and AAV) and three tasks with exact oracles from Design-Bench. The results demonstrate that GROOT equalizes and surpasses existing methods without requiring access to black-box oracles or vast amounts of labeled data, highlighting its practicality and effectiveness. We release our code at https://anonymous.4open.science/r/GROOT-D554

Bao Nguyen, Binh Nguyen, Hieu Trung Nguyen et al.

Learning conditional distributions is challenging because the desired outcome is not a single distribution but multiple distributions that correspond to multiple instances of the covariates. We introduce a novel neural entropic optimal transport method designed to effectively learn generative models of conditional distributions, particularly in scenarios characterized by limited sample sizes. Our method relies on the minimax training of two neural networks: a generative network parametrizing the inverse cumulative distribution functions of the conditional distributions and another network parametrizing the conditional Kantorovich potential. To prevent overfitting, we regularize the objective function by penalizing the Lipschitz constant of the network output. Our experiments on real-world datasets show the effectiveness of our algorithm compared to state-of-the-art conditional distribution learning techniques. Our implementation can be found at https://github.com/nguyenngocbaocmt02/GENTLE.

Ngoc Bui, Hieu Trung Nguyen, Shantanu Kumar et al.

Advances in Large Language Models (LLMs) paved the way for their emerging applications in various domains, such as human behavior simulations, where LLMs could augment human-generated data in social science research and machine learning model training. However, pretrained LLMs often fail to capture the behavioral diversity of target populations due to the inherent variability across individuals and groups. To address this, we propose \textit{Mixture of Personas} (MoP), a \textit{probabilistic} prompting method that aligns the LLM responses with the target population. MoP is a contextual mixture model, where each component is an LM agent characterized by a persona and an exemplar representing subpopulation behaviors. The persona and exemplar are randomly chosen according to the learned mixing weights to elicit diverse LLM responses during simulation. MoP is flexible, requires no model finetuning, and is transferable across base models. Experiments for synthetic data generation show that MoP outperforms competing methods in alignment and diversity metrics.

Ngoc Bui, Hieu Trung Nguyen, Viet Anh Nguyen et al.

The Shapley value is a prominent tool for interpreting black-box machine learning models thanks to its strong theoretical foundation. However, for models with structured inputs, such as graph neural networks, existing Shapley-based explainability approaches either focus solely on node-wise importance or neglect the graph structure when perturbing the input instance. This paper introduces the Myerson-Taylor interaction index that internalizes the graph structure into attributing the node values and the interaction values among nodes. Unlike the Shapley-based methods, the Myerson-Taylor index decomposes coalitions into components satisfying a pre-chosen connectivity criterion. We prove that the Myerson-Taylor index is the unique one that satisfies a system of five natural axioms accounting for graph structure and high-order interaction among nodes. Leveraging these properties, we propose Myerson-Taylor Structure-Aware Graph Explainer (MAGE), a novel explainer that uses the second-order Myerson-Taylor index to identify the most important motifs influencing the model prediction, both positively and negatively. Extensive experiments on various graph datasets and models demonstrate that our method consistently provides superior subgraph explanations compared to state-of-the-art methods.

Chonghe Jiang, Bao Nguyen, Anthony Man-Cho So et al.

Language models (LMs) can produce texts that appear accurate and coherent but contain untruthful or toxic content. Inference-time interventions that edit the hidden activations have shown promising results in steering the LMs towards desirable generations. Existing activation intervention methods often comprise an activation probe to detect undesirable generation, triggering the activation modification to steer subsequent generation. This paper proposes a probe-free intervention method FLORAIN for all attention heads in a specific activation layer. It eliminates the need to train classifiers for probing purposes. The intervention function is parametrized by a sample-wise nonlinear low-rank mapping, which is trained by minimizing the distance between the modified activations and their projection onto the manifold of desirable content. Under specific constructions of the manifold and projection distance, we show that the intervention strategy can be computed efficiently by solving a smooth optimization problem. The empirical results, benchmarked on multiple base models, demonstrate that FLORAIN consistently outperforms several baseline methods in enhancing model truthfulness and quality across generation and multiple-choice tasks.

Hieu Trung Nguyen, Bao Nguyen, Binh Nguyen et al.

Modern language models (LMs) have significantly advanced generative modeling in natural language processing (NLP). Despite their success, LMs often struggle with adaptation to new contexts in real-time applications. A promising approach to task adaptation is activation intervention, which steers the LMs' generation process by identifying and manipulating the activations. However, existing interventions are highly dependent on heuristic rules or require many prompt inputs to determine effective interventions. This paper proposes a layer-wise additive activation intervention framework that optimizes the intervention process, thus enhancing the sample efficiency. We benchmark our framework on various datasets, demonstrating improvements in the accuracy of pre-trained LMs and competing intervention baselines.

Bao Nguyen, Binh Nguyen, Duy Nguyen et al.

Language models, while capable of generating remarkably coherent and seemingly accurate text, can occasionally produce undesirable content, including harmful or toxic outputs. In this paper, we present a new two-stage approach to detect and mitigate undesirable content generations by rectifying activations. First, we train an ensemble of layerwise classifiers to detect undesirable content using activations by minimizing a smooth surrogate of the risk-aware score. Then, for detected undesirable contents, we propose layerwise distributional steering policies that transform the attention heads. These policies are computed through principled semidefinite programming, which aims to minimally perturb the attention distribution while probabilistically guaranteeing the effectiveness of the editions. Empirical evaluations across multiple language models and datasets show that our method outperforms baselines in reducing the generation of undesirable output.

Hieu Trung Nguyen, Bao Nguyen, Viet Anh Nguyen

Model pruning in transformer-based language models, traditionally viewed as a means of achieving computational savings, can enhance the model's reasoning capabilities. In this work, we uncover a surprising phenomenon: the selective pruning of certain attention heads leads to improvements in reasoning performance, particularly on challenging tasks. Motivated by this observation, we propose SPRINT, a novel contrastive learning framework that dynamically selects the optimal head and layer to prune during inference. By aligning question embeddings with head embeddings, SPRINT identifies those pruned-head configurations that result in more accurate reasoning. Extensive experiments demonstrate that our method significantly outperforms traditional best-of-$N$ and random head selection strategies on the MATH500 and GSM8K datasets.

Duc Anh Vu, Thong Nguyen, Cong-Duy Nguyen et al.

With the advancement of large language models (LLMs), their performance on multiple-choice question (MCQ) tasks has improved significantly. However, existing approaches face key limitations: answer choices are typically presented to LLMs without contextual grounding or explanation. This absence of context can lead to incomplete exploration of all possible answers, ultimately degrading the models' reasoning capabilities. To address these challenges, we introduce BiasPrompting, a novel inference framework that guides LLMs to generate and critically evaluate reasoning across all plausible answer options before reaching a final prediction. It consists of two components: first, a reasoning generation stage, where the model is prompted to produce supportive reasonings for each answer option, and then, a reasoning-guided agreement stage, where the generated reasonings are synthesized to select the most plausible answer. Through comprehensive evaluations, BiasPrompting demonstrates significant improvements in five widely used multiple-choice question answering benchmarks. Our experiments showcase that BiasPrompting enhances the reasoning capabilities of LLMs and provides a strong foundation for tackling complex and challenging questions, particularly in settings where existing methods underperform.

Hieu Trung Nguyen, Duy Nguyen, Khoa Doan et al.

Rating elicitation is a success element for recommender systems to perform well at cold-starting, in which the systems need to recommend items to a newly arrived user with no prior knowledge about the user's preference. Existing elicitation methods employ a fixed set of items to learn the user's preference and then infer the users' preferences on the remaining items. Using a fixed seed set can limit the performance of the recommendation system since the seed set is unlikely optimal for all new users with potentially diverse preferences. This paper addresses this challenge using a 2-phase, personalized elicitation scheme. First, the elicitation scheme asks users to rate a small set of popular items in a ``burn-in'' phase. Second, it sequentially asks the user to rate adaptive items to refine the preference and the user's representation. Throughout the process, the system represents the user's embedding value not by a point estimate but by a region estimate. The value of information obtained by asking the user's rating on an item is quantified by the distance from the region center embedding space that contains with high confidence the true embedding value of the user. Finally, the recommendations are successively generated by considering the preference region of the user. We show that each subproblem in the elicitation scheme can be efficiently implemented. Further, we empirically demonstrate the effectiveness of the proposed method against existing rating-elicitation methods on several prominent datasets.

Duy Nguyen, Bao Nguyen, Viet Anh Nguyen

Algorithmic recourse recommends a cost-efficient action to a subject to reverse an unfavorable machine learning classification decision. Most existing methods in the literature generate recourse under the assumption of complete knowledge about the cost function. In real-world practice, subjects could have distinct preferences, leading to incomplete information about the underlying cost function of the subject. This paper proposes a two-step approach integrating preference learning into the recourse generation problem. In the first step, we design a question-answering framework to refine the confidence set of the Mahalanobis matrix cost of the subject sequentially. Then, we generate recourse by utilizing two methods: gradient-based and graph-based cost-adaptive recourse that ensures validity while considering the whole confidence set of the cost matrix. The numerical evaluation demonstrates the benefits of our approach over state-of-the-art baselines in delivering cost-efficient recourse recommendations.

Hieu Vu, Toan Tran, Man-Chung Yue et al.

Principal component analysis is a simple yet useful dimensionality reduction technique in modern machine learning pipelines. In consequential domains such as college admission, healthcare and credit approval, it is imperative to take into account emerging criteria such as the fairness and the robustness of the learned projection. In this paper, we propose a distributionally robust optimization problem for principal component analysis which internalizes a fairness criterion in the objective function. The learned projection thus balances the trade-off between the total reconstruction error and the reconstruction error gap between subgroups, taken in the min-max sense over all distributions in a moment-based ambiguity set. The resulting optimization problem over the Stiefel manifold can be efficiently solved by a Riemannian subgradient descent algorithm with a sub-linear convergence rate. Our experimental results on real-world datasets show the merits of our proposed method over state-of-the-art baselines.

Viet Anh Nguyen, Soroosh Shafieezadeh-Abadeh, Daniel Kuhn et al.

We introduce a distributionally robust minimium mean square error estimation model with a Wasserstein ambiguity set to recover an unknown signal from a noisy observation. The proposed model can be viewed as a zero-sum game between a statistician choosing an estimator -- that is, a measurable function of the observation -- and a fictitious adversary choosing a prior -- that is, a pair of signal and noise distributions ranging over independent Wasserstein balls -- with the goal to minimize and maximize the expected squared estimation error, respectively. We show that if the Wasserstein balls are centered at normal distributions, then the zero-sum game admits a Nash equilibrium, where the players' optimal strategies are given by an {\em affine} estimator and a {\em normal} prior, respectively. We further prove that this Nash equilibrium can be computed by solving a tractable convex program. Finally, we develop a Frank-Wolfe algorithm that can solve this convex program orders of magnitude faster than state-of-the-art general purpose solvers. We show that this algorithm enjoys a linear convergence rate and that its direction-finding subproblems can be solved in quasi-closed form.

Viet Anh Nguyen, Daniel Kuhn, Peyman Mohajerin Esfahani

We introduce a distributionally robust maximum likelihood estimation model with a Wasserstein ambiguity set to infer the inverse covariance matrix of a $p$-dimensional Gaussian random vector from $n$ independent samples. The proposed model minimizes the worst case (maximum) of Stein's loss across all normal reference distributions within a prescribed Wasserstein distance from the normal distribution characterized by the sample mean and the sample covariance matrix. We prove that this estimation problem is equivalent to a semidefinite program that is tractable in theory but beyond the reach of general purpose solvers for practically relevant problem dimensions $p$. In the absence of any prior structural information, the estimation problem has an analytical solution that is naturally interpreted as a nonlinear shrinkage estimator. Besides being invertible and well-conditioned even for $p>n$, the new shrinkage estimator is rotation-equivariant and preserves the order of the eigenvalues of the sample covariance matrix. These desirable properties are not imposed ad hoc but emerge naturally from the underlying distributionally robust optimization model. Finally, we develop a sequential quadratic approximation algorithm for efficiently solving the general estimation problem subject to conditional independence constraints typically encountered in Gaussian graphical models.