Svetha Venkatesh

Dang Nguyen, Sunil Gupta, Kien Do et al.

Knowledge distillation (KD) is an efficient approach to transfer the knowledge from a large "teacher" network to a smaller "student" network. Traditional KD methods require lots of labeled training samples and a white-box teacher (parameters are accessible) to train a good student. However, these resources are not always available in real-world applications. The distillation process often happens at an external party side where we do not have access to much data, and the teacher does not disclose its parameters due to security and privacy concerns. To overcome these challenges, we propose a black-box few-shot KD method to train the student with few unlabeled training samples and a black-box teacher. Our main idea is to expand the training set by generating a diverse set of out-of-distribution synthetic images using MixUp and a conditional variational auto-encoder. These synthetic images along with their labels obtained from the teacher are used to train the student. We conduct extensive experiments to show that our method significantly outperforms recent SOTA few/zero-shot KD methods on image classification tasks. The code and models are available at: https://github.com/nphdang/FS-BBT

Thanh Nguyen-Tang, Ming Yin, Sunil Gupta et al. · princeton

Sample-efficient offline reinforcement learning (RL) with linear function approximation has recently been studied extensively. Much of prior work has yielded the minimax-optimal bound of $\tilde{\mathcal{O}}(\frac{1}{\sqrt{K}})$, with $K$ being the number of episodes in the offline data. In this work, we seek to understand instance-dependent bounds for offline RL with function approximation. We present an algorithm called Bootstrapped and Constrained Pessimistic Value Iteration (BCP-VI), which leverages data bootstrapping and constrained optimization on top of pessimism. We show that under a partial data coverage assumption, that of \emph{concentrability} with respect to an optimal policy, the proposed algorithm yields a fast rate of $\tilde{\mathcal{O}}(\frac{1}{K})$ for offline RL when there is a positive gap in the optimal Q-value functions, even when the offline data were adaptively collected. Moreover, when the linear features of the optimal actions in the states reachable by an optimal policy span those reachable by the behavior policy and the optimal actions are unique, offline RL achieves absolute zero sub-optimality error when $K$ exceeds a (finite) instance-dependent threshold. To the best of our knowledge, these are the first $\tilde{\mathcal{O}}(\frac{1}{K})$ bound and absolute zero sub-optimality bound respectively for offline RL with linear function approximation from adaptive data with partial coverage. We also provide instance-agnostic and instance-dependent information-theoretical lower bounds to complement our upper bounds.

Kien Do, Hung Le, Dung Nguyen et al.

Data-free Knowledge Distillation (DFKD) has attracted attention recently thanks to its appealing capability of transferring knowledge from a teacher network to a student network without using training data. The main idea is to use a generator to synthesize data for training the student. As the generator gets updated, the distribution of synthetic data will change. Such distribution shift could be large if the generator and the student are trained adversarially, causing the student to forget the knowledge it acquired at previous steps. To alleviate this problem, we propose a simple yet effective method called Momentum Adversarial Distillation (MAD) which maintains an exponential moving average (EMA) copy of the generator and uses synthetic samples from both the generator and the EMA generator to train the student. Since the EMA generator can be considered as an ensemble of the generator's old versions and often undergoes a smaller change in updates compared to the generator, training on its synthetic samples can help the student recall the past knowledge and prevent the student from adapting too quickly to new updates of the generator. Our experiments on six benchmark datasets including big datasets like ImageNet and Places365 demonstrate the superior performance of MAD over competing methods for handling the large distribution shift problem. Our method also compares favorably to existing DFKD methods and even achieves state-of-the-art results in some cases.

Hung Tran-The, Sunil Gupta, Santu Rana et al.

The expected improvement (EI) algorithm is one of the most popular strategies for optimization under uncertainty due to its simplicity and efficiency. Despite its popularity, the theoretical aspects of this algorithm have not been properly analyzed. In particular, whether in the noisy setting, the EI strategy with a standard incumbent converges is still an open question of the Gaussian process bandit optimization problem. We aim to answer this question by proposing a variant of EI with a standard incumbent defined via the GP predictive mean. We prove that our algorithm converges, and achieves a cumulative regret bound of $\mathcal O(γ_T\sqrt{T})$, where $γ_T$ is the maximum information gain between $T$ observations and the Gaussian process model. Based on this variant of EI, we further propose an algorithm called Improved GP-EI that converges faster than previous counterparts. In particular, our proposed variants of EI do not require the knowledge of the RKHS norm and the noise's sub-Gaussianity parameter as in previous works. Empirical validation in our paper demonstrates the effectiveness of our algorithms compared to several baselines.

Dung Nguyen, Phuoc Nguyen, Hung Le et al.

Machine learning of Theory of Mind (ToM) is essential to build social agents that co-live with humans and other agents. This capacity, once acquired, will help machines infer the mental states of others from observed contextual action trajectories, enabling future prediction of goals, intention, actions and successor representations. The underlying mechanism for such a prediction remains unclear, however. Inspired by the observation that humans often infer the character traits of others, then use it to explain behaviour, we propose a new neural ToM architecture that learns to generate a latent trait vector of an actor from the past trajectories. This trait vector then multiplicatively modulates the prediction mechanism via a `fast weights' scheme in the prediction neural network, which reads the current context and predicts the behaviour. We empirically show that the fast weights provide a good inductive bias to model the character traits of agents and hence improves mindreading ability. On the indirect assessment of false-belief understanding, the new ToM model enables more efficient helping behaviours.

Thao Minh Le, Vuong Le, Sunil Gupta et al.

The current success of modern visual reasoning systems is arguably attributed to cross-modality attention mechanisms. However, in deliberative reasoning such as in VQA, attention is unconstrained at each step, and thus may serve as a statistical pooling mechanism rather than a semantic operation intended to select information relevant to inference. This is because at training time, attention is only guided by a very sparse signal (i.e. the answer label) at the end of the inference chain. This causes the cross-modality attention weights to deviate from the desired visual-language bindings. To rectify this deviation, we propose to guide the attention mechanism using explicit linguistic-visual grounding. This grounding is derived by connecting structured linguistic concepts in the query to their referents among the visual objects. Here we learn the grounding from the pairing of questions and images alone, without the need for answer annotation or external grounding supervision. This grounding guides the attention mechanism inside VQA models through a duality of mechanisms: pre-training attention weight calculation and directly guiding the weights at inference time on a case-by-case basis. The resultant algorithm is capable of probing attention-based reasoning models, injecting relevant associative knowledge, and regulating the core reasoning process. This scalable enhancement improves the performance of VQA models, fortifies their robustness to limited access to supervised data, and increases interpretability.

Sunil Gupta, Alistair Shilton, Arun Kumar A et al.

In this paper we introduce BO-Muse, a new approach to human-AI teaming for the optimization of expensive black-box functions. Inspired by the intrinsic difficulty of extracting expert knowledge and distilling it back into AI models and by observations of human behavior in real-world experimental design, our algorithm lets the human expert take the lead in the experimental process. The human expert can use their domain expertise to its full potential, while the AI plays the role of a muse, injecting novelty and searching for areas of weakness to break the human out of over-exploitation induced by cognitive entrenchment. With mild assumptions, we show that our algorithm converges sub-linearly, at a rate faster than the AI or human alone. We validate our algorithm using synthetic data and with human experts performing real-world experiments.

Dung Nguyen, Phuoc Nguyen, Svetha Venkatesh et al.

Multi-agent reinforcement learning holds the key for solving complex tasks that demand the coordination of learning agents. However, strong coordination often leads to expensive exploration over the exponentially large state-action space. A powerful approach is to decompose team works into roles, which are ideally assigned to agents with the relevant skills. Training agents to adaptively choose and play emerging roles in a team thus allows the team to scale to complex tasks and quickly adapt to changing environments. These promises, however, have not been fully realised by current role-based multi-agent reinforcement learning methods as they assume either a pre-defined role structure or a fixed team size. We propose a framework to learn role assignment and transfer across team sizes. In particular, we train a role assignment network for small teams by demonstration and transfer the network to larger teams, which continue to learn through interaction with the environment. We demonstrate that re-using the role-based credit assignment structure can foster the learning process of larger reinforcement learning teams to achieve tasks requiring different roles. Our proposal outperforms competing techniques in enriched role-enforcing Prey-Predator games and in new scenarios in the StarCraft II Micro-Management benchmark.

Hung Le, Thommen Karimpanal George, Majid Abdolshah et al.

We introduce a constrained optimization method for policy gradient reinforcement learning, which uses a virtual trust region to regulate each policy update. In addition to using the proximity of one single old policy as the normal trust region, we propose forming a second trust region through another virtual policy representing a wide range of past policies. We then enforce the new policy to stay closer to the virtual policy, which is beneficial if the old policy performs poorly. More importantly, we propose a mechanism to automatically build the virtual policy from a memory of past policies, providing a new capability for dynamically learning appropriate virtual trust regions during the optimization process. Our proposed method, dubbed Memory-Constrained Policy Optimization (MCPO), is examined in diverse environments, including robotic locomotion control, navigation with sparse rewards and Atari games, consistently demonstrating competitive performance against recent on-policy constrained policy gradient methods.

Thommen George Karimpanal, Laknath Buddhika Semage, Santu Rana et al.

Large language models (LLMs) have recently demonstrated their impressive ability to provide context-aware responses via text. This ability could potentially be used to predict plausible solutions in sequential decision making tasks pertaining to pattern completion. For example, by observing a partial stack of cubes, LLMs can predict the correct sequence in which the remaining cubes should be stacked by extrapolating the observed patterns (e.g., cube sizes, colors or other attributes) in the partial stack. In this work, we introduce LaGR (Language-Guided Reinforcement learning), which uses this predictive ability of LLMs to propose solutions to tasks that have been partially completed by a primary reinforcement learning (RL) agent, in order to subsequently guide the latter's training. However, as RL training is generally not sample-efficient, deploying this approach would inherently imply that the LLM be repeatedly queried for solutions; a process that can be expensive and infeasible. To address this issue, we introduce SEQ (sample efficient querying), where we simultaneously train a secondary RL agent to decide when the LLM should be queried for solutions. Specifically, we use the quality of the solutions emanating from the LLM as the reward to train this agent. We show that our proposed framework LaGR-SEQ enables more efficient primary RL training, while simultaneously minimizing the number of queries to the LLM. We demonstrate our approach on a series of tasks and highlight the advantages of our approach, along with its limitations and potential future research directions.

Phuoc Nguyen, Truyen Tran, Ky Le et al.

We introduce a conditional compression problem and propose a fast framework for tackling it. The problem is how to quickly compress a pretrained large neural network into optimal smaller networks given target contexts, e.g. a context involving only a subset of classes or a context where only limited compute resource is available. To solve this, we propose an efficient Bayesian framework to compress a given large network into much smaller size tailored to meet each contextual requirement. We employ a hypernetwork to parameterize the posterior distribution of weights given conditional inputs and minimize a variational objective of this Bayesian neural network. To further reduce the network sizes, we propose a new input-output group sparsity factorization of weights to encourage more sparseness in the generated weights. Our methods can quickly generate compressed networks with significantly smaller sizes than baseline methods.

Alistair Shilton, Sunil Gupta, Santu Rana et al.

The study of Neural Tangent Kernels (NTKs) has provided much needed insight into convergence and generalization properties of neural networks in the over-parametrized (wide) limit by approximating the network using a first-order Taylor expansion with respect to its weights in the neighborhood of their initialization values. This allows neural network training to be analyzed from the perspective of reproducing kernel Hilbert spaces (RKHS), which is informative in the over-parametrized regime, but a poor approximation for narrower networks as the weights change more during training. Our goal is to extend beyond the limits of NTK toward a more general theory. We construct an exact power-series representation of the neural network in a finite neighborhood of the initial weights as an inner product of two feature maps, respectively from data and weight-step space, to feature space, allowing neural network training to be analyzed from the perspective of reproducing kernel {\em Banach} space (RKBS). We prove that, regardless of width, the training sequence produced by gradient descent can be exactly replicated by regularized sequential learning in RKBS. Using this, we present novel bound on uniform convergence where the iterations count and learning rate play a central role, giving new theoretical insight into neural network training.

Dung Nguyen, Phuoc Nguyen, Hung Le et al.

Social reasoning necessitates the capacity of theory of mind (ToM), the ability to contextualise and attribute mental states to others without having access to their internal cognitive structure. Recent machine learning approaches to ToM have demonstrated that we can train the observer to read the past and present behaviours of other agents and infer their beliefs (including false beliefs about things that no longer exist), goals, intentions and future actions. The challenges arise when the behavioural space is complex, demanding skilful space navigation for rapidly changing contexts for an extended period. We tackle the challenges by equipping the observer with novel neural memory mechanisms to encode, and hierarchical attention to selectively retrieve information about others. The memories allow rapid, selective querying of distal related past behaviours of others to deliberatively reason about their current mental state, beliefs and future behaviours. This results in ToMMY, a theory of mind model that learns to reason while making little assumptions about the underlying mental processes. We also construct a new suite of experiments to demonstrate that memories facilitate the learning process and achieve better theory of mind performance, especially for high-demand false-belief tasks that require inferring through multiple steps of changes.

Hung Tran, Vuong Le, Svetha Venkatesh et al.

We propose to model the persistent-transient duality in human behavior using a parent-child multi-channel neural network, which features a parent persistent channel that manages the global dynamics and children transient channels that are initiated and terminated on-demand to handle detailed interactive actions. The short-lived transient sessions are managed by a proposed Transient Switch. The neural framework is trained to discover the structure of the duality automatically. Our model shows superior performances in human-object interaction motion prediction.

Hung Tran, Vuong Le, Svetha Venkatesh et al.

Humans are highly adaptable, swiftly switching between different modes to progressively handle different tasks, situations and contexts. In Human-object interaction (HOI) activities, these modes can be attributed to two mechanisms: (1) the large-scale consistent plan for the whole activity and (2) the small-scale children interactive actions that start and end along the timeline. While neuroscience and cognitive science have confirmed this multi-mechanism nature of human behavior, machine modeling approaches for human motion are trailing behind. While attempted to use gradually morphing structures (e.g., graph attention networks) to model the dynamic HOI patterns, they miss the expeditious and discrete mode-switching nature of the human motion. To bridge that gap, this work proposes to model two concurrent mechanisms that jointly control human motion: the Persistent process that runs continually on the global scale, and the Transient sub-processes that operate intermittently on the local context of the human while interacting with objects. These two mechanisms form an interactive Persistent-Transient Duality that synergistically governs the activity sequences. We model this conceptual duality by a parent-child neural network of Persistent and Transient channels with a dedicated neural module for dynamic mechanism switching. The framework is trialed on HOI motion forecasting. On two rich datasets and a wide variety of settings, the model consistently delivers superior performances, proving its suitability for the challenge.

Manisha Senadeera, Santu Rana, Sunil Gupta et al.

Model selection is an integral problem of model based optimization techniques such as Bayesian optimization (BO). Current approaches often treat model selection as an estimation problem, to be periodically updated with observations coming from the optimization iterations. In this paper, we propose an alternative way to achieve both efficiently. Specifically, we propose a novel way of integrating model selection and BO for the single goal of reaching the function optima faster. The algorithm moves back and forth between BO in the model space and BO in the function space, where the goodness of the recommended model is captured by a score function and fed back, capturing how well the model helped convergence in the function space. The score function is derived in such a way that it neutralizes the effect of the moving nature of the BO in the function space, thus keeping the model selection problem stationary. This back and forth leads to quick convergence for both model selection and BO in the function space. In addition to improved sample efficiency, the framework outputs information about the black-box function. Convergence is proved, and experimental results show significant improvement compared to standard BO.

Phuoc Nguyen, Truyen Tran, Sunil Gupta et al.

Identifying the root causes of outliers is a fundamental problem in causal inference and anomaly detection. Traditional approaches based on heuristics or counterfactual reasoning often struggle under uncertainty and high-dimensional dependencies. We introduce SIREN, a novel and scalable method that attributes the root causes of outliers by estimating the score functions of the data likelihood. Attribution is computed via integrated gradients that accumulate score contributions along paths from the outlier toward the normal data distribution. Our method satisfies three of the four classic Shapley value axioms - dummy, efficiency, and linearity - as well as an asymmetry axiom derived from the underlying causal structure. Unlike prior work, SIREN operates directly on the score function, enabling tractable and uncertainty-aware root cause attribution in nonlinear, high-dimensional, and heteroscedastic causal models. Extensive experiments on synthetic random graphs and real-world cloud service and supply chain datasets show that SIREN outperforms state-of-the-art baselines in both attribution accuracy and computational efficiency.

Buddhika Laknath Semage, Thommen George Karimpanal, Santu Rana et al.

Simulation based learning often provides a cost-efficient recourse to reinforcement learning applications in robotics. However, simulators are generally incapable of accurately replicating real-world dynamics, and thus bridging the sim2real gap is an important problem in simulation based learning. Current solutions to bridge the sim2real gap involve hybrid simulators that are augmented with neural residual models. Unfortunately, they require a separate residual model for each individual environment configuration (i.e., a fixed setting of environment variables such as mass, friction etc.), and thus are not transferable to new environments quickly. To address this issue, we propose a Reverse Action Transformation (RAT) policy which learns to imitate simulated policies in the real-world. Once learnt from a single environment, RAT can then be deployed on top of a Universal Policy Network to achieve zero-shot adaptation to new environments. We empirically evaluate our approach in a set of continuous control tasks and observe its advantage as a few-shot and zero-shot learner over competing baselines.

Tri Minh Nguyen, Sherif Abdulkader Tawfik, Truyen Tran et al.

Accurate charge densities are central to electronic-structure theory, but computing charge-state-dependent densities with density functional theory remains too expensive for large-scale screening and defect workflows. We present ChargeFlow, a flow-matching refinement model that transforms a charge-conditioned superposition of atomic densities into the corresponding DFT electron density on the native periodic real-space grid using a 3D U-Net velocity field. Trained on 9,502 charged Materials Project-derived calculations and evaluated on an external 1,671-structure benchmark spanning perovskites, charged defects, diamond defects, metal-organic frameworks, and organic crystals, ChargeFlow is not uniformly best on every in-distribution class but is strongest on problems dominated by nonlocal charge redistribution and charge-state extrapolation, improving deformation-density error from 3.62% to 3.21% and charge- response cosine similarity from 0.571 to 0.655 relative to a ResNet baseline. The predicted densities remain chemically useful under downstream analysis, yielding successful Bader partitioning on all 1,671 benchmark structures and high-fidelity electrostatic potentials, which positions flow matching as a practical density-refinement strategy for charged materials.

Dai Do, Quan Tran, Svetha Venkatesh et al.

Prompt optimization is essential for enhancing the performance of Large Language Models (LLMs) in a range of Natural Language Processing (NLP) tasks, particularly in scenarios of few-shot learning where training examples are incorporated directly into the prompt. Despite the growing interest in optimizing prompts with few-shot examples, existing methods for prompt optimization are often resource-intensive or perform inadequately. In this work, we propose PrOmpting with Episodic Memory (POEM), a novel prompt optimization technique that is simple, efficient, and demonstrates strong generalization capabilities. We approach prompt optimization as a Reinforcement Learning (RL) challenge, using episodic memory to archive combinations of input data, permutations of few-shot examples, and the rewards observed during training. In the testing phase, we optimize the sequence of examples for each test query by selecting the sequence that yields the highest total rewards from the top-k most similar training examples in the episodic memory. Our results show that POEM outperforms recent techniques like TEMPERA and RLPrompt by over 5.3% in various text classification tasks. Furthermore, our approach adapts well to broader language understanding tasks, consistently outperforming conventional heuristic methods for ordering examples.

Hung Le, Kien Do, Dung Nguyen et al.

We present a new computing model for intrinsic rewards in reinforcement learning that addresses the limitations of existing surprise-driven explorations. The reward is the novelty of the surprise rather than the surprise norm. We estimate the surprise novelty as retrieval errors of a memory network wherein the memory stores and reconstructs surprises. Our surprise memory (SM) augments the capability of surprise-based intrinsic motivators, maintaining the agent's interest in exciting exploration while reducing unwanted attraction to unpredictable or noisy observations. Our experiments demonstrate that the SM combined with various surprise predictors exhibits efficient exploring behaviors and significantly boosts the final performance in sparse reward environments, including Noisy-TV, navigation and challenging Atari games.

Minh Hoang Nguyen, Hung Le, Svetha Venkatesh

Modern reinforcement learning (RL) struggles to capture real-world cause-and-effect dynamics, leading to inefficient exploration due to extensive trial-and-error actions. While recent efforts to improve agent exploration have leveraged causal discovery, they often make unrealistic assumptions of causal variables in the environments. In this paper, we introduce a novel framework, Variable-Agnostic Causal Exploration for Reinforcement Learning (VACERL), incorporating causal relationships to drive exploration in RL without specifying environmental causal variables. Our approach automatically identifies crucial observation-action steps associated with key variables using attention mechanisms. Subsequently, it constructs the causal graph connecting these steps, which guides the agent towards observation-action pairs with greater causal influence on task completion. This can be leveraged to generate intrinsic rewards or establish a hierarchy of subgoals to enhance exploration efficiency. Experimental results showcase a significant improvement in agent performance in grid-world, 2d games and robotic domains, particularly in scenarios with sparse rewards and noisy actions, such as the notorious Noisy-TV environments.

Tuan Hoang, Santu Rana, Sunil Gupta et al.

Recent data-privacy laws have sparked interest in machine unlearning, which involves removing the effect of specific training samples from a learnt model as if they were never present in the original training dataset. The challenge of machine unlearning is to discard information about the ``forget'' data in the learnt model without altering the knowledge about the remaining dataset and to do so more efficiently than the naive retraining approach. To achieve this, we adopt a projected-gradient based learning method, named as Projected-Gradient Unlearning (PGU), in which the model takes steps in the orthogonal direction to the gradient subspaces deemed unimportant for the retaining dataset, so as to its knowledge is preserved. By utilizing Stochastic Gradient Descent (SGD) to update the model weights, our method can efficiently scale to any model and dataset size. We provide empirically evidence to demonstrate that our unlearning method can produce models that behave similar to models retrained from scratch across various metrics even when the training dataset is no longer accessible. Our code is available at https://github.com/hnanhtuan/projected_gradient_unlearning.

Ragja Palakkadavath, Hung Le, Thanh Nguyen-Tang et al.

Federated domain generalization (FedDG) addresses distribution shifts among clients in a federated learning framework. FedDG methods aggregate the parameters of locally trained client models to form a global model that generalizes to unseen clients while preserving data privacy. While improving the generalization capability of the global model, many existing approaches in FedDG jeopardize privacy by sharing statistics of client data between themselves. Our solution addresses this problem by contributing new ways to perform local client training and model aggregation. To improve local client training, we enforce (domain) invariance across local models with the help of a novel technique, \textbf{latent space inversion}, which enables better client privacy. When clients are not \emph{i.i.d}, aggregating their local models may discard certain local adaptations. To overcome this, we propose an \textbf{important weight} aggregation strategy to prioritize parameters that significantly influence predictions of local models during aggregation. Our extensive experiments show that our approach achieves superior results over state-of-the-art methods with less communication overhead.

Manh Nguyen, Dung Nguyen, Dai Do et al.

Reinforcement learning (RL) finetuning is crucial to aligning large language models (LLMs), but the process is notoriously unstable and exhibits high variance across model checkpoints. In practice, selecting the best checkpoint is challenging: evaluating checkpoints on the validation set during training is computationally expensive and requires a good validation set, while relying on the final checkpoint provides no guarantee of good performance. We introduce an uncertainty-guided approach for checkpoint selection (UGCS) that avoids these pitfalls. Our method identifies hard question-answer pairs using per-sample uncertainty and ranks checkpoints by how well they handle these challenging cases. By averaging the rewards of the top-uncertain samples over a short training window, our method produces a stable and discriminative signal without additional forward passes or significant computation overhead. Experiments across three datasets and three LLMs demonstrate that it consistently identifies checkpoints with stronger generalization, outperforming traditional strategies such as relying on training or validation performance. These results highlight that models solving their hardest tasks with low uncertainty are the most reliable overall.

Manh Nguyen, Anh Nguyen, Dung Nguyen et al.

Multi-Agent Debate has emerged as a promising framework for improving the reasoning quality of large language models through iterative inter-agent communication. However, broadcasting all agent messages at every round introduces noise and redundancy that can degrade debate quality and waste computational resources. Current approaches rely on uncertainty estimation to filter low-confidence responses before broadcasting, but this approach is unreliable due to miscalibrated confidence scores and sensitivity to threshold selection. To address this, we propose Diversity-Aware Retention (DAR), a lightweight debate framework that, at each debate round, selects the subset of agent responses that maximally disagree with each other and with the majority vote before broadcasting. Through an explicit index-based retention mechanism, DAR preserves the original messages without modification, ensuring that retained disagreements remain authentic. Experiments on diverse reasoning and question answering benchmarks demonstrate that our selective message propagation consistently improves debate performance, particularly as the number of agents scales, where noise accumulation is most severe. Our results highlight that what agents hear is as important as what agents say in multi-agent reasoning systems.

Hung Le, Svetha Venkatesh

Parameter-Efficient Fine-Tuning (PEFT), particularly Low-Rank Adaptation (LoRA), has become a standard approach for adapting Large Language Models (LLMs) under limited compute. However, in continual settings where models are updated sequentially with small datasets, conventional LoRA updates struggle to balance rapid adaptation and knowledge retention. Existing methods typically treat the low-rank space as a homogeneous update region, lacking mechanisms to regulate how short-term updates are consolidated over time. We propose a continual LoRA framework with \textbf{Pro}gram memory, inspired by \textbf{C}omplementary \textbf{L}earning Systems in neuroscience. Our approach, dubbed \textbf{ProCL}, organizes LoRA adapters into structured program memory slots that are dynamically retrieved through input-conditioned attention. This enables rapid and localized adaptation, encouraging similar inputs to reuse shared adapter regions while reserving unused capacity for future data. The slots are then combined with the underlying adapter, which maintains a distributed representation that gradually accumulates knowledge across tasks to balance plasticity and stability. Our method operates entirely within the LoRA parameterization and incurs no additional inference cost. Experiments on diverse benchmarks demonstrate improved retention and reduced catastrophic forgetting over other continual LoRA strategies.

Hung Le, Dai Do, Dung Nguyen et al.

Recent advances in fine-tuning large language models (LLMs) with reinforcement learning (RL) have shown promising improvements in complex reasoning tasks, particularly when paired with chain-of-thought (CoT) prompting. However, these successes have been largely demonstrated on large-scale models with billions of parameters, where a strong pretraining foundation ensures effective initial exploration. In contrast, RL remains challenging for tiny LLMs with 1 billion parameters or fewer because they lack the necessary pretraining strength to explore effectively, often leading to suboptimal reasoning patterns. This work introduces a novel intrinsic motivation approach that leverages episodic memory to address this challenge, improving tiny LLMs in CoT reasoning tasks. Inspired by human memory-driven learning, our method leverages successful reasoning patterns stored in memory while allowing for controlled exploration to generate novel responses. Intrinsic rewards are computed efficiently using a kNN-based episodic memory, allowing the model to discover new reasoning strategies while quickly adapting to effective past solutions. Experiments on fine-tuning GSM8K and AI-MO datasets demonstrate that our approach significantly enhances smaller LLMs' sample efficiency and generalization capability, making RL-based reasoning improvements more accessible in low-resource settings.

Arun Kumar A, Alistair Shilton, Sunil Gupta et al.

Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian optimization is a principled data-driven approach to experimental optimization, it learns everything from scratch and could greatly benefit from the expertise of its human (domain) experts who often reason about systems at different abstraction levels using physical properties that are not necessarily directly measured (or measurable). In this paper, we propose a human-AI collaborative Bayesian framework to incorporate expert preferences about unmeasured abstract properties into the surrogate modeling to further boost the performance of BO. We provide an efficient strategy that can also handle any incorrect/misleading expert bias in preferential judgments. We discuss the convergence behavior of our proposed framework. Our experimental results involving synthetic functions and real-world datasets show the superiority of our method against the baselines.

Dang Nguyen, Sunil Gupta, Kien Do et al.

While most generative models show achievements in image data generation, few are developed for tabular data generation. Recently, due to success of large language models (LLM) in diverse tasks, they have also been used for tabular data generation. However, these methods do not capture the correct correlation between the features and the target variable, hindering their applications in downstream predictive tasks. To address this problem, we propose a LLM-based method with three important improvements to correctly capture the ground-truth feature-class correlation in the real data. First, we propose a novel permutation strategy for the input data in the fine-tuning phase. Second, we propose a feature-conditional sampling approach to generate synthetic samples. Finally, we generate the labels by constructing prompts based on the generated samples to query our fine-tuned LLM. Our extensive experiments show that our method significantly outperforms 10 SOTA baselines on 20 datasets in downstream tasks. It also produces highly realistic synthetic samples in terms of quality and diversity. More importantly, classifiers trained with our synthetic data can even compete with classifiers trained with the original data on half of the benchmark datasets, which is a significant achievement in tabular data generation.

Hung Le, Kien Do, Dung Nguyen et al.

Effective decision-making in partially observable environments demands robust memory management. Despite their success in supervised learning, current deep-learning memory models struggle in reinforcement learning environments that are partially observable and long-term. They fail to efficiently capture relevant past information, adapt flexibly to changing observations, and maintain stable updates over long episodes. We theoretically analyze the limitations of existing memory models within a unified framework and introduce the Stable Hadamard Memory, a novel memory model for reinforcement learning agents. Our model dynamically adjusts memory by erasing no longer needed experiences and reinforcing crucial ones computationally efficiently. To this end, we leverage the Hadamard product for calibrating and updating memory, specifically designed to enhance memory capacity while mitigating numerical and learning challenges. Our approach significantly outperforms state-of-the-art memory-based methods on challenging partially observable benchmarks, such as meta-reinforcement learning, long-horizon credit assignment, and POPGym, demonstrating superior performance in handling long-term and evolving contexts.

Dang Nguyen, Sunil Gupta, Kien Do et al.

Oversampling is one of the most widely used approaches for addressing imbalanced classification. The core idea is to generate additional minority samples to rebalance the dataset. Most existing methods, such as SMOTE, require converting categorical variables into numerical vectors, which often leads to information loss. Recently, large language model (LLM)-based methods have been introduced to overcome this limitation. However, current LLM-based approaches typically generate minority samples with limited diversity, reducing robustness and generalizability in downstream classification tasks. To address this gap, we propose a novel LLM-based oversampling method designed to enhance diversity. First, we introduce a sampling strategy that conditions synthetic sample generation on both minority labels and features. Second, we develop a new permutation strategy for fine-tuning pre-trained LLMs. Third, we fine-tune the LLM not only on minority samples but also on interpolated samples to further enrich variability. Extensive experiments on 10 tabular datasets demonstrate that our method significantly outperforms eight SOTA baselines. The generated synthetic samples are both realistic and diverse. Moreover, we provide theoretical analysis through an entropy-based perspective, proving that our method encourages diversity in the generated samples.

Dai Do, Manh Nguyen, Svetha Venkatesh et al.

Large language models (LLMs) have shown strong reasoning capabilities when fine-tuned with reinforcement learning (RL). However, such methods require extensive data and compute, making them impractical for smaller models. Current approaches to curriculum learning or data selection are largely heuristic-driven or demand extensive computational resources, limiting their scalability and generalizability. We propose \textbf{SPaRFT}, a self-paced learning framework that enables efficient learning based on the capability of the model being trained through optimizing which data to use and when. First, we apply \emph{cluster-based data reduction} to partition training data by semantics and difficulty, extracting a compact yet diverse subset that reduces redundancy. Then, a \emph{multi-armed bandit} treats data clusters as arms, optimized to allocate training samples based on model current performance. Experiments across multiple reasoning benchmarks show that SPaRFT achieves comparable or better accuracy than state-of-the-art baselines while using up to \(100\times\) fewer samples. Ablation studies and analyses further highlight the importance of both data clustering and adaptive selection. Our results demonstrate that carefully curated, performance-driven training curricula can unlock strong reasoning abilities in LLMs with minimal resources.

Thao Minh Le, Vuong Le, Kien Do et al.

This paper introduces a new problem, Causal Abductive Reasoning on Video Events (CARVE), which involves identifying causal relationships between events in a video and generating hypotheses about causal chains that account for the occurrence of a target event. To facilitate research in this direction, we create two new benchmark datasets with both synthetic and realistic videos, accompanied by trigger-target labels generated through a novel counterfactual synthesis approach. To explore the challenge of solving CARVE, we present a Causal Event Relation Network (CERN) that examines the relationships between video events in temporal and semantic spaces to efficiently determine the root-cause trigger events. Through extensive experiments, we demonstrate the critical roles of event relational representation learning and interaction modeling in solving video causal reasoning challenges. The introduction of the CARVE task, along with the accompanying datasets and the CERN framework, will advance future research on video causal reasoning and significantly facilitate various applications, including video surveillance, root-cause analysis and movie content management.

Tri Minh Nguyen, Sherif Abdulkader Tawfik, Truyen Tran et al.

Discovering new solid-state materials requires rapidly exploring the vast space of crystal structures and locating stable regions. Generating stable materials with desired properties and compositions is extremely difficult as we search for very small isolated pockets in the exponentially many possibilities, considering elements from the periodic table and their 3D arrangements in crystal lattices. Materials discovery necessitates both optimized solution structures and diversity in the generated material structures. Existing methods struggle to explore large material spaces and generate diverse samples with desired properties and requirements. We propose the Symmetry-aware Hierarchical Architecture for Flow-based Traversal (SHAFT), a novel generative model employing a hierarchical exploration strategy to efficiently exploit the symmetry of the materials space to generate crystal structures given desired properties. In particular, our model decomposes the exponentially large materials space into a hierarchy of subspaces consisting of symmetric space groups, lattice parameters, and atoms. We demonstrate that SHAFT significantly outperforms state-of-the-art iterative generative methods, such as Generative Flow Networks (GFlowNets) and Crystal Diffusion Variational AutoEncoders (CDVAE), in crystal structure generation tasks, achieving higher validity, diversity, and stability of generated structures optimized for target properties and requirements.

Phuoc Nguyen, Truyen Tran, Sunil Gupta et al.

Identifying root causes of anomalies in causal processes is vital across disciplines. Once identified, one can isolate the root causes and implement necessary measures to restore the normal operation. Causal processes are often modelled as graphs with entities being nodes and their paths/interconnections as edge. Existing work only consider the contribution of nodes in the generative process, thus can not attribute the outlier score to the edges of the mechanism if the anomaly occurs in the connections. In this paper, we consider both individual edge and node of each mechanism when identifying the root causes. We introduce a noisy functional causal model to account for this purpose. Then, we employ Bayesian learning and inference methods to infer the noises of the nodes and edges. We then represent the functional form of a target outlier leaf as a function of the node and edge noises. Finally, we propose an efficient gradient-based attribution method to compute the anomaly attribution scores which scales linearly with the number of nodes and edges. Experiments on simulated datasets and two real-world scenario datasets show better anomaly attribution performance of the proposed method compared to the baselines. Our method scales to larger graphs with more nodes and edges.

Dang Nguyen, Sunil Gupta, Kien Do et al.

In image classification tasks, deep learning models are vulnerable to image distortions i.e. their accuracy significantly drops if the input images are distorted. An image-classifier is considered "reliable" if its accuracy on distorted images is above a user-specified threshold. For a quality control purpose, it is important to predict if the image-classifier is unreliable/reliable under a distortion level. In other words, we want to predict whether a distortion level makes the image-classifier "non-reliable" or "reliable". Our solution is to construct a training set consisting of distortion levels along with their "non-reliable" or "reliable" labels, and train a machine learning predictive model (called distortion-classifier) to classify unseen distortion levels. However, learning an effective distortion-classifier is a challenging problem as the training set is highly imbalanced. To address this problem, we propose a Gaussian process based method to rebalance the training set. We conduct extensive experiments to show that our method significantly outperforms several baselines on six popular image datasets.

Banibrata Ghosh, Haripriya Harikumar, Khoa D Doan et al.

Learning composite concepts, such as \textquotedbl red car\textquotedbl , from individual examples -- like a white car representing the concept of \textquotedbl car\textquotedbl{} and a red strawberry representing the concept of \textquotedbl red\textquotedbl -- is inherently challenging. This paper introduces a novel method called Composite Concept Extractor (CoCE), which leverages techniques from traditional backdoor attacks to learn these composite concepts in a zero-shot setting, requiring only examples of individual concepts. By repurposing the trigger-based model backdooring mechanism, we create a strategic distortion in the manifold of the target object (e.g., \textquotedbl car\textquotedbl ) induced by example objects with the target property (e.g., \textquotedbl red\textquotedbl ) from objects \textquotedbl red strawberry\textquotedbl , ensuring the distortion selectively affects the target objects with the target property. Contrastive learning is then employed to further refine this distortion, and a method is formulated for detecting objects that are influenced by the distortion. Extensive experiments with in-depth analysis across different datasets demonstrate the utility and applicability of our proposed approach.

Alistair Shilton, Sunil Gupta, Santu Rana et al.

This paper presents two models of neural-networks and their training applicable to neural networks of arbitrary width, depth and topology, assuming only finite-energy neural activations; and a novel representor theory for neural networks in terms of a matrix-valued kernel. The first model is exact (un-approximated) and global, casting the neural network as an elements in a reproducing kernel Banach space (RKBS); we use this model to provide tight bounds on Rademacher complexity. The second model is exact and local, casting the change in neural network function resulting from a bounded change in weights and biases (ie. a training step) in reproducing kernel Hilbert space (RKHS) in terms of a local-intrinsic neural kernel (LiNK). This local model provides insight into model adaptation through tight bounds on Rademacher complexity of network adaptation. We also prove that the neural tangent kernel (NTK) is a first-order approximation of the LiNK kernel. Finally, and noting that the LiNK does not provide a representor theory for technical reasons, we present an exact novel representor theory for layer-wise neural network training with unregularized gradient descent in terms of a local-extrinsic neural kernel (LeNK). This representor theory gives insight into the role of higher-order statistics in neural network training and the effect of kernel evolution in neural-network kernel models. Throughout the paper (a) feedforward ReLU networks and (b) residual networks (ResNet) are used as illustrative examples.

Hung Le, Dung Nguyen, Kien Do et al.

We propose Pointer-Augmented Neural Memory (PANM) to help neural networks understand and apply symbol processing to new, longer sequences of data. PANM integrates an external neural memory that uses novel physical addresses and pointer manipulation techniques to mimic human and computer symbol processing abilities. PANM facilitates pointer assignment, dereference, and arithmetic by explicitly using physical pointers to access memory content. Remarkably, it can learn to perform these operations through end-to-end training on sequence data, powering various sequential models. Our experiments demonstrate PANM's exceptional length extrapolating capabilities and improved performance in tasks that require symbol processing, such as algorithmic reasoning and Dyck language recognition. PANM helps Transformer achieve up to 100% generalization accuracy in compositional learning tasks and significantly better results in mathematical reasoning, question answering and machine translation tasks.

Kien Do, Dung Nguyen, Hung Le et al.

In this paper, we study the "dataset bias" problem from a statistical standpoint, and identify the main cause of the problem as the strong correlation between a class attribute u and a non-class attribute b in the input x, represented by p(u|b) differing significantly from p(u). Since p(u|b) appears as part of the sampling distributions in the standard maximum log-likelihood (MLL) objective, a model trained on a biased dataset via MLL inherently incorporates such correlation into its parameters, leading to poor generalization to unbiased test data. From this observation, we propose to mitigate dataset bias via either weighting the objective of each sample n by \frac{1}{p(u_{n}|b_{n})} or sampling that sample with a weight proportional to \frac{1}{p(u_{n}|b_{n})}. While both methods are statistically equivalent, the former proves more stable and effective in practice. Additionally, we establish a connection between our debiasing approach and causal reasoning, reinforcing our method's theoretical foundation. However, when the bias label is unavailable, computing p(u|b) exactly is difficult. To overcome this challenge, we propose to approximate \frac{1}{p(u|b)} using a biased classifier trained with "bias amplification" losses. Extensive experiments on various biased datasets demonstrate the superiority of our method over existing debiasing techniques in most settings, validating our theoretical analysis.

Kien Do, Haripriya Harikumar, Hung Le et al.

Trojan attacks on deep neural networks are both dangerous and surreptitious. Over the past few years, Trojan attacks have advanced from using only a single input-agnostic trigger and targeting only one class to using multiple, input-specific triggers and targeting multiple classes. However, Trojan defenses have not caught up with this development. Most defense methods still make inadequate assumptions about Trojan triggers and target classes, thus, can be easily circumvented by modern Trojan attacks. To deal with this problem, we propose two novel "filtering" defenses called Variational Input Filtering (VIF) and Adversarial Input Filtering (AIF) which leverage lossy data compression and adversarial learning respectively to effectively purify potential Trojan triggers in the input at run time without making assumptions about the number of triggers/target classes or the input dependence property of triggers. In addition, we introduce a new defense mechanism called "Filtering-then-Contrasting" (FtC) which helps avoid the drop in classification accuracy on clean data caused by "filtering", and combine it with VIF/AIF to derive new defenses of this kind. Extensive experimental results and ablation studies show that our proposed defenses significantly outperform well-known baseline defenses in mitigating five advanced Trojan attacks including two recent state-of-the-art while being quite robust to small amounts of training data and large-norm triggers.

Buddhika Laknath Semage, Thommen George Karimpanal, Santu Rana et al.

Sim2real transfer is primarily concerned with transferring policies trained in simulation to potentially noisy real world environments. A common problem associated with sim2real transfer is estimating the real-world environmental parameters to ground the simulated environment to. Although existing methods such as Domain Randomisation (DR) can produce robust policies by sampling from a distribution of parameters during training, there is no established method for identifying the parameters of the corresponding distribution for a given real-world setting. In this work, we propose Uncertainty-aware policy search (UncAPS), where we use Universal Policy Network (UPN) to store simulation-trained task-specific policies across the full range of environmental parameters and then subsequently employ robust Bayesian optimisation to craft robust policies for the given environment by combining relevant UPN policies in a DR like fashion. Such policy-driven grounding is expected to be more efficient as it estimates only task-relevant sets of parameters. Further, we also account for the estimation uncertainties in the search process to produce policies that are robust against both aleatoric and epistemic uncertainties. We empirically evaluate our approach in a range of noisy, continuous control environments, and show its improved performance compared to competing baselines.

Buddhika Laknath Semage, Thommen George Karimpanal, Santu Rana et al.

Adapting an agent's behaviour to new environments has been one of the primary focus areas of physics based reinforcement learning. Although recent approaches such as universal policy networks partially address this issue by enabling the storage of multiple policies trained in simulation on a wide range of dynamic/latent factors, efficiently identifying the most appropriate policy for a given environment remains a challenge. In this work, we propose a Gaussian Process-based prior learned in simulation, that captures the likely performance of a policy when transferred to a previously unseen environment. We integrate this prior with a Bayesian Optimisation-based policy search process to improve the efficiency of identifying the most appropriate policy from the universal policy network. We empirically evaluate our approach in a range of continuous and discrete control environments, and show that it outperforms other competing baselines.

Hung Le, Majid Abdolshah, Thommen K. George et al.

We introduce a novel training procedure for policy gradient methods wherein episodic memory is used to optimize the hyperparameters of reinforcement learning algorithms on-the-fly. Unlike other hyperparameter searches, we formulate hyperparameter scheduling as a standard Markov Decision Process and use episodic memory to store the outcome of used hyperparameters and their training contexts. At any policy update step, the policy learner refers to the stored experiences, and adaptively reconfigures its learning algorithm with the new hyperparameters determined by the memory. This mechanism, dubbed as Episodic Policy Gradient Training (EPGT), enables an episodic learning process, and jointly learns the policy and the learning algorithm's hyperparameters within a single run. Experimental results on both continuous and discrete environments demonstrate the advantage of using the proposed method in boosting the performance of various policy gradient algorithms.

Thanh Nguyen-Tang, Sunil Gupta, A. Tuan Nguyen et al.

Offline policy learning (OPL) leverages existing data collected a priori for policy optimization without any active exploration. Despite the prevalence and recent interest in this problem, its theoretical and algorithmic foundations in function approximation settings remain under-developed. In this paper, we consider this problem on the axes of distributional shift, optimization, and generalization in offline contextual bandits with neural networks. In particular, we propose a provably efficient offline contextual bandit with neural network function approximation that does not require any functional assumption on the reward. We show that our method provably generalizes over unseen contexts under a milder condition for distributional shift than the existing OPL works. Notably, unlike any other OPL method, our method learns from the offline data in an online manner using stochastic gradient descent, allowing us to leverage the benefits of online learning into an offline setting. Moreover, we show that our method is more computationally efficient and has a better dependence on the effective dimension of the neural network than an online counterpart. Finally, we demonstrate the empirical effectiveness of our method in a range of synthetic and real-world OPL problems.

Hung Le, Thommen Karimpanal George, Majid Abdolshah et al.

Episodic control enables sample efficiency in reinforcement learning by recalling past experiences from an episodic memory. We propose a new model-based episodic memory of trajectories addressing current limitations of episodic control. Our memory estimates trajectory values, guiding the agent towards good policies. Built upon the memory, we construct a complementary learning model via a dynamic hybrid control unifying model-based, episodic and habitual learning into a single architecture. Experiments demonstrate that our model allows significantly faster and better learning than other strong reinforcement learning agents across a variety of environments including stochastic and non-Markovian settings.

Thommen George Karimpanal, Hung Le, Majid Abdolshah et al.

The optimistic nature of the Q-learning target leads to an overestimation bias, which is an inherent problem associated with standard $Q-$learning. Such a bias fails to account for the possibility of low returns, particularly in risky scenarios. However, the existence of biases, whether overestimation or underestimation, need not necessarily be undesirable. In this paper, we analytically examine the utility of biased learning, and show that specific types of biases may be preferable, depending on the scenario. Based on this finding, we design a novel reinforcement learning algorithm, Balanced Q-learning, in which the target is modified to be a convex combination of a pessimistic and an optimistic term, whose associated weights are determined online, analytically. We prove the convergence of this algorithm in a tabular setting, and empirically demonstrate its superior learning performance in various environments.

Haripriya Harikumar, Kien Do, Santu Rana et al.

In this paper, we propose a novel host-free Trojan attack with triggers that are fixed in the semantic space but not necessarily in the pixel space. In contrast to existing Trojan attacks which use clean input images as hosts to carry small, meaningless trigger patterns, our attack considers triggers as full-sized images belonging to a semantically meaningful object class. Since in our attack, the backdoored classifier is encouraged to memorize the abstract semantics of the trigger images than any specific fixed pattern, it can be later triggered by semantically similar but different looking images. This makes our attack more practical to be applied in the real-world and harder to defend against. Extensive experimental results demonstrate that with only a small number of Trojan patterns for training, our attack can generalize well to new patterns of the same Trojan class and can bypass state-of-the-art defense methods.

Thomas P Quinn, Sunil Gupta, Svetha Venkatesh et al.

Deep learning has become popular because of its potential to achieve high accuracy in prediction tasks. However, accuracy is not always the only goal of statistical modelling, especially for models developed as part of scientific research. Rather, many scientific models are developed to facilitate scientific discovery, by which we mean to abstract a human-understandable representation of the natural world. Unfortunately, the opacity of deep neural networks limit their role in scientific discovery, creating a new demand for models that are transparently interpretable. This article is a field guide to transparent model design. It provides a taxonomy of transparent model design concepts, a practical workflow for putting design concepts into practice, and a general template for reporting design choices. We hope this field guide will help researchers more effectively design transparently interpretable models, and thus enable them to use deep learning for scientific discovery.