Truyen Tran

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.

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.

Hoang-Anh Pham, Thao Minh Le, Vuong Le et al.

It would be a technological feat to be able to create a system that can hold a meaningful conversation with humans about what they watch. A setup toward that goal is presented as a video dialog task, where the system is asked to generate natural utterances in response to a question in an ongoing dialog. The task poses great visual, linguistic, and reasoning challenges that cannot be easily overcome without an appropriate representation scheme over video and dialog that supports high-level reasoning. To tackle these challenges we present a new object-centric framework for video dialog that supports neural reasoning dubbed COST - which stands for Conversation about Objects in Space-Time. Here dynamic space-time visual content in videos is first parsed into object trajectories. Given this video abstraction, COST maintains and tracks object-associated dialog states, which are updated upon receiving new questions. Object interactions are dynamically and conditionally inferred for each question, and these serve as the basis for relational reasoning among them. COST also maintains a history of previous answers, and this allows retrieval of relevant object-centric information to enrich the answer forming process. Language production then proceeds in a step-wise manner, taking into the context of the current utterance, the existing dialog, the current question. We evaluate COST on the DSTC7 and DSTC8 benchmarks, demonstrating its competitiveness against state-of-the-arts.

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.

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.

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.

Tuyen Tran, Thao Minh Le, Hung Tran et al.

Recognizing human activities in videos is challenging due to the spatio-temporal complexity and context-dependence of human interactions. Prior studies often rely on single input modalities, such as RGB or skeletal data, limiting their ability to exploit the complementary advantages across modalities. Recent studies focus on combining these two modalities using simple feature fusion techniques. However, due to the inherent disparities in representation between these input modalities, designing a unified neural network architecture to effectively leverage their complementary information remains a significant challenge. To address this, we propose a comprehensive multimodal framework for robust video-based human activity recognition. Our key contribution is the introduction of a novel compositional query machine, called COMPUTER ($\textbf{COMP}ositional h\textbf{U}man-cen\textbf{T}ric qu\textbf{ER}y$ machine), a generic neural architecture that models the interactions between a human of interest and its surroundings in both space and time. Thanks to its versatile design, COMPUTER can be leveraged to distill distinctive representations for various input modalities. Additionally, we introduce a consistency loss that enforces agreement in prediction between modalities, exploiting the complementary information from multimodal inputs for robust human movement recognition. Through extensive experiments on action localization and group activity recognition tasks, our approach demonstrates superior performance when compared with state-of-the-art methods. Our code is available at: https://github.com/tranxuantuyen/COMPUTER.

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.

Kha Pham, Hung Le, Man Ngo et al.

The capacity to achieve out-of-distribution (OOD) generalization is a hallmark of human intelligence and yet remains out of reach for machines. This remarkable capability has been attributed to our abilities to make conceptual abstraction and analogy, and to a mechanism known as indirection, which binds two representations and uses one representation to refer to the other. Inspired by these mechanisms, we hypothesize that OOD generalization may be achieved by performing analogy-making and indirection in the functional space instead of the data space as in current methods. To realize this, we design FINE (Functional Indirection Neural Estimator), a neural framework that learns to compose functions that map data input to output on-the-fly. FINE consists of a backbone network and a trainable semantic memory of basis weight matrices. Upon seeing a new input-output data pair, FINE dynamically constructs the backbone weights by mixing the basis weights. The mixing coefficients are indirectly computed through querying a separate corresponding semantic memory using the data pair. We demonstrate empirically that FINE can strongly improve out-of-distribution generalization on IQ tasks that involve geometric transformations. In particular, we train FINE and competing models on IQ tasks using images from the MNIST, Omniglot and CIFAR100 datasets and test on tasks with unseen image classes from one or different datasets and unseen transformation rules. FINE not only achieves the best performance on all tasks but also is able to adapt to small-scale data scenarios.

Long Hoang Dang, Thao Minh Le, Vuong Le et al.

Large vision-language models (LVLMs) offer a novel capability for performing in-context learning (ICL) in Visual QA. When prompted with a few demonstrations of image-question-answer triplets, LVLMs have demonstrated the ability to discern underlying patterns and transfer this latent knowledge to answer new questions about unseen images without the need for expensive supervised fine-tuning. However, designing effective vision-language prompts, especially for compositional questions, remains poorly understood. Adapting language-only ICL techniques may not necessarily work because we need to bridge the visual-linguistic semantic gap: Symbolic concepts must be grounded in visual content, which does not share the syntactic linguistic structures. This paper introduces SADL, a new visual-linguistic prompting framework for the task. SADL revolves around three key components: SAmpling, Deliberation, and Pseudo-Labeling of image-question pairs. Given an image-question query, we sample image-question pairs from the training data that are in semantic proximity to the query. To address the compositional nature of questions, the deliberation step decomposes complex questions into a sequence of subquestions. Finally, the sequence is progressively annotated one subquestion at a time to generate a sequence of pseudo-labels. We investigate the behaviors of SADL under OpenFlamingo on large-scale Visual QA datasets, namely GQA, GQA-OOD, CLEVR, and CRIC. The evaluation demonstrates the critical roles of sampling in the neighborhood of the image, the decomposition of complex questions, and the accurate pairing of the subquestions and labels. These findings do not always align with those found in language-only ICL, suggesting fresh insights in vision-language settings.

Chayan Banerjee, Kien Nguyen, Olivier Salvado et al.

The incorporation of physical information in machine learning frameworks is transforming medical image analysis (MIA). By integrating fundamental knowledge and governing physical laws, these models achieve enhanced robustness and interpretability. In this work, we explore the utility of physics-informed approaches for MIA (PIMIA) tasks such as registration, generation, classification, and reconstruction. We present a systematic literature review of over 80 papers on physics-informed methods dedicated to MIA. We propose a unified taxonomy to investigate what physics knowledge and processes are modelled, how they are represented, and the strategies to incorporate them into MIA models. We delve deep into a wide range of image analysis tasks, from imaging, generation, prediction, inverse imaging (super-resolution and reconstruction), registration, and image analysis (segmentation and classification). For each task, we thoroughly examine and present in a tabular format the central physics-guided operation, the region of interest (with respect to human anatomy), the corresponding imaging modality, the dataset used for model training, the deep network architecture employed, and the primary physical process, equation, or principle utilized. Additionally, we also introduce a novel metric to compare the performance of PIMIA methods across different tasks and datasets. Based on this review, we summarize and distil our perspectives on the challenges, open research questions, and directions for future research. We highlight key open challenges in PIMIA, including selecting suitable physics priors and establishing a standardized benchmarking platform.

Thong Bach, Dung Nguyen, Thao Minh Le et al.

Large language models exhibit systematic vulnerabilities to adversarial attacks despite extensive safety alignment. We provide a mechanistic analysis revealing that position-dependent gradient weakening during autoregressive training creates signal decay, leading to incomplete safety learning where safety training fails to transform model preferences in later response regions fully. We introduce base-favored tokens -- vocabulary elements where base models assign higher probability than aligned models -- as computational indicators of incomplete safety learning and develop a targeted completion method that addresses undertrained regions through adaptive penalties and hybrid teacher distillation. Experimental evaluation across Llama and Qwen model families demonstrates dramatic improvements in adversarial robustness, with 48--98% reductions in attack success rates while preserving general capabilities. These results establish both a mechanistic understanding and practical solutions for fundamental limitations in safety alignment methodologies.

Quang-Hung Le, Long Hoang Dang, Ngan Le et al.

Existing Large Vision-Language Models (LVLMs) excel at matching concepts across multi-modal inputs but struggle with compositional concepts and high-level relationships between entities. This paper introduces Progressive multi-granular Vision-Language alignments (PromViL), a novel framework to enhance LVLMs' ability in performing grounded compositional visual reasoning tasks. Our approach constructs a hierarchical structure of multi-modal alignments, ranging from simple to complex concepts. By progressively aligning textual descriptions with corresponding visual regions, our model learns to leverage contextual information from lower levels to inform higher-level reasoning. To facilitate this learning process, we introduce a data generation process that creates a novel dataset derived from Visual Genome, providing a wide range of nested compositional vision-language pairs. Experimental results demonstrate that our PromViL framework significantly outperforms baselines on various visual grounding and compositional question answering tasks. The code is available at: https://github.com/lqh52/PromViL.

Hoang Thanh-Tung, Truyen Tran

Measuring the generalization capacity of Deep Generative Models (DGMs) is difficult because of the curse of dimensionality. Evaluation metrics for DGMs such as Inception Score, Fréchet Inception Distance, Precision-Recall, and Neural Net Divergence try to estimate the distance between the generated distribution and the target distribution using a polynomial number of samples. These metrics are the target of researchers when designing new models. Despite the claims, it is still unclear how well can they measure the generalization capacity of a generative model. In this paper, we investigate the capacity of these metrics in measuring the generalization capacity. We introduce a framework for comparing the robustness of evaluation metrics. We show that better scores in these metrics do not imply better generalization. They can be fooled easily by a generator that memorizes a small subset of the training set. We propose a fix to the NND metric to make it more robust to noise in the generated data. Toward building a robust metric for generalization, we propose to apply the Minimum Description Length principle to the problem of evaluating DGMs. We develop an efficient method for estimating the complexity of Generative Latent Variable Models (GLVMs). Experimental results show that our metric can effectively detect training set memorization and distinguish GLVMs of different generalization capacities. Source code is available at https://github.com/htt210/GeneralizationMetricGAN.

Hoa Khanh Dam, Trang Pham, Shien Wee Ng et al.

Defects are common in software systems and can potentially cause various problems to software users. Different methods have been developed to quickly predict the most likely locations of defects in large code bases. Most of them focus on designing features (e.g. complexity metrics) that correlate with potentially defective code. Those approaches however do not sufficiently capture the syntax and different levels of semantics of source code, an important capability for building accurate prediction models. In this paper, we develop a novel prediction model which is capable of automatically learning features for representing source code and using them for defect prediction. Our prediction system is built upon the powerful deep learning, tree-structured Long Short Term Memory network which directly matches with the Abstract Syntax Tree representation of source code. An evaluation on two datasets, one from open source projects contributed by Samsung and the other from the public PROMISE repository, demonstrates the effectiveness of our approach for both within-project and cross-project predictions.

Morakot Choetkiertikul, Hoa Khanh Dam, Truyen Tran et al.

Although there has been substantial research in software analytics for effort estimation in traditional software projects, little work has been done for estimation in agile projects, especially estimating user stories or issues. Story points are the most common unit of measure used for estimating the effort involved in implementing a user story or resolving an issue. In this paper, we offer for the \emph{first} time a comprehensive dataset for story points-based estimation that contains 23,313 issues from 16 open source projects. We also propose a prediction model for estimating story points based on a novel combination of two powerful deep learning architectures: long short-term memory and recurrent highway network. Our prediction system is \emph{end-to-end} trainable from raw input data to prediction outcomes without any manual feature engineering. An empirical evaluation demonstrates that our approach consistently outperforms three common effort estimation baselines and two alternatives in both Mean Absolute Error and the Standardized Accuracy.

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.

Tuyen Tran, Thao Minh Le, Quang-Hung Le et al.

Vision-language alignment in video must address the complexity of language, evolving interacting entities, their action chains, and semantic gaps between language and vision. This work introduces Planner-Refiner, a framework to overcome these challenges. Planner-Refiner bridges the semantic gap by iteratively refining visual elements' space-time representation, guided by language until semantic gaps are minimal. A Planner module schedules language guidance by decomposing complex linguistic prompts into short sentence chains. The Refiner processes each short sentence, a noun-phrase and verb-phrase pair, to direct visual tokens' self-attention across space then time, achieving efficient single-step refinement. A recurrent system chains these steps, maintaining refined visual token representations. The final representation feeds into task-specific heads for alignment generation. We demonstrate Planner-Refiner's effectiveness on two video-language alignment tasks: Referring Video Object Segmentation and Temporal Grounding with varying language complexity. We further introduce a new MeViS-X benchmark to assess models' capability with long queries. Superior performance versus state-of-the-art methods on these benchmarks shows the approach's potential, especially for complex prompts.

Giang Do, Hung Le, Truyen Tran

Sparse Mixture of Experts (SMoE) enables efficient training of large language models by routing input tokens to a select number of experts. However, training SMoE remains challenging due to the issue of representation collapse. Recent studies have focused on improving the router to mitigate this problem, but existing approaches face two key limitations: (1) expert embeddings are significantly smaller than the model's dimension, contributing to representation collapse, and (2) routing each input to the Top-K experts can cause them to learn overly similar features. In this work, we propose a novel approach called Robust Sparse Mixture of Experts via Stochastic Learning (S2MoE), which is a mixture of experts designed to learn from both deterministic and non-deterministic inputs via Learning under Uncertainty. Extensive experiments across various tasks demonstrate that S2MoE achieves performance comparable to other routing methods while reducing computational inference costs by 28%.

Minh Khoa Le, Kien Do, Truyen Tran

In this study, we address causal inference when only observational data and a valid causal ordering from the causal graph are available. We introduce a set of flow models that can recover component-wise, invertible transformation of exogenous variables. Our flow-based methods offer flexible model design while maintaining causal consistency regardless of the number of discretization steps. We propose design improvements that enable simultaneous learning of all causal mechanisms and reduce abduction and prediction complexity to linear O(n) relative to the number of layers, independent of the number of causal variables. Empirically, we demonstrate that our method outperforms previous state-of-the-art approaches and delivers consistent performance across a wide range of structural causal models in answering observational, interventional, and counterfactual questions. Additionally, our method achieves a significant reduction in computational time compared to existing diffusion-based techniques, making it practical for large structural causal models.

Thang Nguyen, Dung Nguyen, Kha Pham et al.

Forecasting temporal processes such as virus spreading in epidemics often requires more than just observed time-series data, especially at the beginning of a wave when data is limited. Traditional methods employ mechanistic models like the SIR family, which make strong assumptions about the underlying spreading process, often represented as a small set of compact differential equations. Data-driven methods such as deep neural networks make no such assumptions and can capture the generative process in more detail, but fail in long-term forecasting due to data limitations. We propose a new hybrid method called MP-PINN (Multi-Phase Physics-Informed Neural Network) to overcome the limitations of these two major approaches. MP-PINN instils the spreading mechanism into a neural network, enabling the mechanism to update in phases over time, reflecting the dynamics of the epidemics due to policy interventions. Experiments on COVID-19 waves demonstrate that MP-PINN achieves superior performance over pure data-driven or model-driven approaches for both short-term and long-term forecasting.

Giang Do, Hung Le, Truyen Tran

Sparse mixture of experts (SMoE) have emerged as an effective approach for scaling large language models while keeping a constant computational cost. Regardless of several notable successes of SMoE, effective training such architecture remains elusive due to the representation collapse problem, which in turn harms model performance and causes parameter redundancy. In this work, we present Similarity-based Sparse Mixture of Experts (SimSMoE), a novel similarity of neural network algorithm, that guarantees a solution to address the representation collapse issue between experts given a fixed FLOPs budget. We conduct extensive empirical evaluations on three large language models for both Pre-training and Fine-tuning tasks to illustrate the efficacy, robustness, and scalability of our method. The results demonstrate that SimSMoE significantly enhances existing routing policy and outperforms other SMoE training methods in performance for the tasks.

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.

Tri Minh Nguyen, Thin Nguyen, Truyen Tran

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high standard. Modern AI-enabled by powerful computing, large biomedical databases, and breakthroughs in deep learning-offers a new hope to break this loop as AI is rapidly maturing, ready to make a huge impact in the area. In this paper we review recent advances in AI methodologies that aim to crack this challenge. We organize the vast and rapidly growing literature of AI for drug discovery into three relatively stable sub-areas: (a) representation learning over molecular sequences and geometric graphs; (b) data-driven reasoning where we predict molecular properties and their binding, optimize existing compounds, generate de novo molecules, and plan the synthesis of target molecules; and (c) knowledge-based reasoning where we discuss the construction and reasoning over biomedical knowledge graphs. We will also identify open challenges and chart possible research directions for the years to come.

Tri Minh Nguyen, Thin Nguyen, Truyen Tran

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start problem where the model performance drops when predicting the interaction of a novel drug or target. Previous works try to solve the cold start problem by learning the drug or target representation using unsupervised learning. While the drug or target representation can be learned in an unsupervised manner, it still lacks the interaction information, which is critical in drug-target interaction. Results: To incorporate the interaction information into the drug and protein interaction, we proposed using transfer learning from chemical-chemical interaction (CCI) and protein-protein interaction (PPI) task to drug-target interaction task. The representation learned by CCI and PPI tasks can be transferred smoothly to the DTA task due to the similar nature of the tasks. The result on the drug-target affinity datasets shows that our proposed method has advantages compared to other pretraining methods in the DTA task.

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.

Kien Do, Truyen Tran, Svetha Venkatesh

We propose a novel framework for image clustering that incorporates joint representation learning and clustering. Our method consists of two heads that share the same backbone network - a "representation learning" head and a "clustering" head. The "representation learning" head captures fine-grained patterns of objects at the instance level which serve as clues for the "clustering" head to extract coarse-grain information that separates objects into clusters. The whole model is trained in an end-to-end manner by minimizing the weighted sum of two sample-oriented contrastive losses applied to the outputs of the two heads. To ensure that the contrastive loss corresponding to the "clustering" head is optimal, we introduce a novel critic function called "log-of-dot-product". Extensive experimental results demonstrate that our method significantly outperforms state-of-the-art single-stage clustering methods across a variety of image datasets, improving over the best baseline by about 5-7% in accuracy on CIFAR10/20, STL10, and ImageNet-Dogs. Further, the "two-stage" variant of our method also achieves better results than baselines on three challenging ImageNet subsets.

Long Hoang Dang, Thao Minh Le, Vuong Le et al.

Video Question Answering (Video QA) is a powerful testbed to develop new AI capabilities. This task necessitates learning to reason about objects, relations, and events across visual and linguistic domains in space-time. High-level reasoning demands lifting from associative visual pattern recognition to symbol-like manipulation over objects, their behavior and interactions. Toward reaching this goal we propose an object-oriented reasoning approach in that video is abstracted as a dynamic stream of interacting objects. At each stage of the video event flow, these objects interact with each other, and their interactions are reasoned about with respect to the query and under the overall context of a video. This mechanism is materialized into a family of general-purpose neural units and their multi-level architecture called Hierarchical Object-oriented Spatio-Temporal Reasoning (HOSTR) networks. This neural model maintains the objects' consistent lifelines in the form of a hierarchically nested spatio-temporal graph. Within this graph, the dynamic interactive object-oriented representations are built up along the video sequence, hierarchically abstracted in a bottom-up manner, and converge toward the key information for the correct answer. The method is evaluated on multiple major Video QA datasets and establishes new state-of-the-arts in these tasks. Analysis into the model's behavior indicates that object-oriented reasoning is a reliable, interpretable and efficient approach to Video QA.

Long Hoang Dang, Thao Minh Le, Vuong Le et al.

Video question answering (Video QA) presents a powerful testbed for human-like intelligent behaviors. The task demands new capabilities to integrate video processing, language understanding, binding abstract linguistic concepts to concrete visual artifacts, and deliberative reasoning over spacetime. Neural networks offer a promising approach to reach this potential through learning from examples rather than handcrafting features and rules. However, neural networks are predominantly feature-based - they map data to unstructured vectorial representation and thus can fall into the trap of exploiting shortcuts through surface statistics instead of true systematic reasoning seen in symbolic systems. To tackle this issue, we advocate for object-centric representation as a basis for constructing spatio-temporal structures from videos, essentially bridging the semantic gap between low-level pattern recognition and high-level symbolic algebra. To this end, we propose a new query-guided representation framework to turn a video into an evolving relational graph of objects, whose features and interactions are dynamically and conditionally inferred. The object lives are then summarized into resumes, lending naturally for deliberative relational reasoning that produces an answer to the query. The framework is evaluated on major Video QA datasets, demonstrating clear benefits of the object-centric approach to video reasoning.

Tri Minh Nguyen, Thomas P Quinn, Thin Nguyen et al.

Motivation: Many high-performance DTA models have been proposed, but they are mostly black-box and thus lack human interpretability. Explainable AI (XAI) can make DTA models more trustworthy, and can also enable scientists to distill biological knowledge from the models. Counterfactual explanation is one popular approach to explaining the behaviour of a deep neural network, which works by systematically answering the question "How would the model output change if the inputs were changed in this way?". Most counterfactual explanation methods only operate on single input data. It remains an open problem how to extend counterfactual-based XAI methods to DTA models, which have two inputs, one for drug and one for target, that also happen to be discrete in nature. Methods: We propose a multi-agent reinforcement learning framework, Multi-Agent Counterfactual Drug target binding Affinity (MACDA), to generate counterfactual explanations for the drug-protein complex. Our proposed framework provides human-interpretable counterfactual instances while optimizing both the input drug and target for counterfactual generation at the same time. Results: We benchmark the proposed MACDA framework using the Davis dataset and find that our framework produces more parsimonious explanations with no loss in explanation validity, as measured by encoding similarity and QED. We then present a case study involving ABL1 and Nilotinib to demonstrate how MACDA can explain the behaviour of a DTA model in the underlying substructure interaction between inputs in its prediction, revealing mechanisms that align with prior domain knowledge.

Romero Morais, Vuong Le, Svetha Venkatesh et al.

Human activities can be learned from video. With effective modeling it is possible to discover not only the action labels but also the temporal structures of the activities such as the progression of the sub-activities. Automatically recognizing such structure from raw video signal is a new capability that promises authentic modeling and successful recognition of human-object interactions. Toward this goal, we introduce Asynchronous-Sparse Interaction Graph Networks (ASSIGN), a recurrent graph network that is able to automatically detect the structure of interaction events associated with entities in a video scene. ASSIGN pioneers learning of autonomous behavior of video entities including their dynamic structure and their interaction with the coexisting neighbors. Entities' lives in our model are asynchronous to those of others therefore more flexible in adaptation to complex scenarios. Their interactions are sparse in time hence more faithful to the true underlying nature and more robust in inference and learning. ASSIGN is tested on human-object interaction recognition and shows superior performance in segmenting and labeling of human sub-activities and object affordances from raw videos. The native ability for discovering temporal structures of the model also eliminates the dependence on external segmentation that was previously mandatory for this task.

Kien Do, Truyen Tran, Svetha Venkatesh

We propose two generic methods for improving semi-supervised learning (SSL). The first integrates weight perturbation (WP) into existing "consistency regularization" (CR) based methods. We implement WP by leveraging variational Bayesian inference (VBI). The second method proposes a novel consistency loss called "maximum uncertainty regularization" (MUR). While most consistency losses act on perturbations in the vicinity of each data point, MUR actively searches for "virtual" points situated beyond this region that cause the most uncertain class predictions. This allows MUR to impose smoothness on a wider area in the input-output manifold. Our experiments show clear improvements in classification errors of various CR based methods when they are combined with VBI or MUR or both.

Anh-Cat Le-Ngo, Truyen Tran, Santu Rana et al.

Given an image, a back-ground knowledge, and a set of questions about an object, human learners answer the questions very consistently regardless of question forms and semantic tasks. The current advancement in neural-network based Visual Question Answering (VQA), despite their impressive performance, cannot ensure such consistency due to identically distribution (i.i.d.) assumption. We propose a new model-agnostic logic constraint to tackle this issue by formulating a logically consistent loss in the multi-task learning framework as well as a data organisation called family-batch and hybrid-batch. To demonstrate usefulness of this proposal, we train and evaluate MAC-net based VQA machines with and without the proposed logically consistent loss and the proposed data organization. The experiments confirm that the proposed loss formulae and introduction of hybrid-batch leads to more consistency as well as better performance. Though the proposed approach is tested with MAC-net, it can be utilised in any other QA methods whenever the logical consistency between answers exist.

Hung Tran, Vuong Le, Truyen Tran

The prediction of humans' short-term trajectories has advanced significantly with the use of powerful sequential modeling and rich environment feature extraction. However, long-term prediction is still a major challenge for the current methods as the errors could accumulate along the way. Indeed, consistent and stable prediction far to the end of a trajectory inherently requires deeper analysis into the overall structure of that trajectory, which is related to the pedestrian's intention on the destination of the journey. In this work, we propose to model a hypothetical process that determines pedestrians' goals and the impact of such process on long-term future trajectories. We design Goal-driven Trajectory Prediction model - a dual-channel neural network that realizes such intuition. The two channels of the network take their dedicated roles and collaborate to generate future trajectories. Different than conventional goal-conditioned, planning-based methods, the model architecture is designed to generalize the patterns and work across different scenes with arbitrary geometrical and semantic structures. The model is shown to outperform the state-of-the-art in various settings, especially in large prediction horizons. This result is another evidence for the effectiveness of adaptive structured representation of visual and geometrical features in human behavior analysis.

Thao Minh Le, Vuong Le, Svetha Venkatesh et al.

Video QA challenges modelers in multiple fronts. Modeling video necessitates building not only spatio-temporal models for the dynamic visual channel but also multimodal structures for associated information channels such as subtitles or audio. Video QA adds at least two more layers of complexity - selecting relevant content for each channel in the context of the linguistic query, and composing spatio-temporal concepts and relations in response to the query. To address these requirements, we start with two insights: (a) content selection and relation construction can be jointly encapsulated into a conditional computational structure, and (b) video-length structures can be composed hierarchically. For (a) this paper introduces a general-reusable neural unit dubbed Conditional Relation Network (CRN) taking as input a set of tensorial objects and translating into a new set of objects that encode relations of the inputs. The generic design of CRN helps ease the common complex model building process of Video QA by simple block stacking with flexibility in accommodating input modalities and conditioning features across both different domains. As a result, we realize insight (b) by introducing Hierarchical Conditional Relation Networks (HCRN) for Video QA. The HCRN primarily aims at exploiting intrinsic properties of the visual content of a video and its accompanying channels in terms of compositionality, hierarchy, and near and far-term relation. HCRN is then applied for Video QA in two forms, short-form where answers are reasoned solely from the visual content, and long-form where associated information, such as subtitles, presented. Our rigorous evaluations show consistent improvements over SOTAs on well-studied benchmarks including large-scale real-world datasets such as TGIF-QA and TVQA, demonstrating the strong capabilities of our CRN unit and the HCRN for complex domains such as Video QA.

Tri Minh Nguyen, Thin Nguyen, Thao Minh Le et al.

Predicting the interaction between a compound and a target is crucial for rapid drug repurposing. Deep learning has been successfully applied in drug-target affinity (DTA) problem. However, previous deep learning-based methods ignore modeling the direct interactions between drug and protein residues. This would lead to inaccurate learning of target representation which may change due to the drug binding effects. In addition, previous DTA methods learn protein representation solely based on a small number of protein sequences in DTA datasets while neglecting the use of proteins outside of the DTA datasets. We propose GEFA (Graph Early Fusion Affinity), a novel graph-in-graph neural network with attention mechanism to address the changes in target representation because of the binding effects. Specifically, a drug is modeled as a graph of atoms, which then serves as a node in a larger graph of residues-drug complex. The resulting model is an expressive deep nested graph neural network. We also use pre-trained protein representation powered by the recent effort of learning contextualized protein representation. The experiments are conducted under different settings to evaluate scenarios such as novel drugs or targets. The results demonstrate the effectiveness of the pre-trained protein embedding and the advantages our GEFA in modeling the nested graph for drug-target interaction.

Duc Nguyen, Phuoc Nguyen, Kien Do et al.

Temporal anomaly detection looks for irregularities over space-time. Unsupervised temporal models employed thus far typically work on sequences of feature vectors, and much less on temporal multiway data. We focus our investigation on two-way data, in which a data matrix is observed at each time step. Leveraging recent advances in matrix-native recurrent neural networks, we investigated strategies for data arrangement and unsupervised training for temporal multiway anomaly detection. These include compressing-decompressing, encoding-predicting, and temporal data differencing. We conducted a comprehensive suite of experiments to evaluate model behaviors under various settings on synthetic data, moving digits, and ECG recordings. We found interesting phenomena not previously reported. These include the capacity of the compact matrix LSTM to compress noisy data near perfectly, making the strategy of compressing-decompressing data ill-suited for anomaly detection under the noise. Also, long sequence of vectors can be addressed directly by matrix models that allow very long context and multiple step prediction. Overall, the encoding-predicting strategy works very well for the matrix LSTMs in the conducted experiments, thanks to its compactness and better fit to the data dynamics.

Dung Nguyen, Svetha Venkatesh, Phuoc Nguyen et al.

Guilt aversion induces experience of a utility loss in people if they believe they have disappointed others, and this promotes cooperative behaviour in human. In psychological game theory, guilt aversion necessitates modelling of agents that have theory about what other agents think, also known as Theory of Mind (ToM). We aim to build a new kind of affective reinforcement learning agents, called Theory of Mind Agents with Guilt Aversion (ToMAGA), which are equipped with an ability to think about the wellbeing of others instead of just self-interest. To validate the agent design, we use a general-sum game known as Stag Hunt as a test bed. As standard reinforcement learning agents could learn suboptimal policies in social dilemmas like Stag Hunt, we propose to use belief-based guilt aversion as a reward shaping mechanism. We show that our belief-based guilt averse agents can efficiently learn cooperative behaviours in Stag Hunt Games.

Romero Morais, Vuong Le, Truyen Tran et al.

Human activities are naturally structured as hierarchies unrolled over time. For action prediction, temporal relations in event sequences are widely exploited by current methods while their semantic coherence across different levels of abstraction has not been well explored. In this work we model the hierarchical structure of human activities in videos and demonstrate the power of such structure in action prediction. We propose Hierarchical Encoder-Refresher-Anticipator, a multi-level neural machine that can learn the structure of human activities by observing a partial hierarchy of events and roll-out such structure into a future prediction in multiple levels of abstraction. We also introduce a new coarse-to-fine action annotation on the Breakfast Actions videos to create a comprehensive, consistent, and cleanly structured video hierarchical activity dataset. Through our experiments, we examine and rethink the settings and metrics of activity prediction tasks toward unbiased evaluation of prediction systems, and demonstrate the role of hierarchical modeling toward reliable and detailed long-term action forecasting.

Phuoc Nguyen, Truyen Tran, Sunil Gupta et al.

We propose a framework called HyperVAE for encoding distributions of distributions. When a target distribution is modeled by a VAE, its neural network parameters θis drawn from a distribution p(θ) which is modeled by a hyper-level VAE. We propose a variational inference using Gaussian mixture models to implicitly encode the parameters θinto a low dimensional Gaussian distribution. Given a target distribution, we predict the posterior distribution of the latent code, then use a matrix-network decoder to generate a posterior distribution q(θ). HyperVAE can encode the parameters θin full in contrast to common hyper-networks practices, which generate only the scale and bias vectors as target-network parameters. Thus HyperVAE preserves much more information about the model for each task in the latent space. We discuss HyperVAE using the minimum description length (MDL) principle and show that it helps HyperVAE to generalize. We evaluate HyperVAE in density estimation tasks, outlier detection and discovery of novel design classes, demonstrating its efficacy.

Thao Minh Le, Vuong Le, Svetha Venkatesh et al.

We present Language-binding Object Graph Network, the first neural reasoning method with dynamic relational structures across both visual and textual domains with applications in visual question answering. Relaxing the common assumption made by current models that the object predicates pre-exist and stay static, passive to the reasoning process, we propose that these dynamic predicates expand across the domain borders to include pair-wise visual-linguistic object binding. In our method, these contextualized object links are actively found within each recurrent reasoning step without relying on external predicative priors. These dynamic structures reflect the conditional dual-domain object dependency given the evolving context of the reasoning through co-attention. Such discovered dynamic graphs facilitate multi-step knowledge combination and refinements that iteratively deduce the compact representation of the final answer. The effectiveness of this model is demonstrated on image question answering demonstrating favorable performance on major VQA datasets. Our method outperforms other methods in sophisticated question-answering tasks wherein multiple object relations are involved. The graph structure effectively assists the progress of training, and therefore the network learns efficiently compared to other reasoning models.

Thao Minh Le, Vuong Le, Svetha Venkatesh et al.

Video question answering (VideoQA) is challenging as it requires modeling capacity to distill dynamic visual artifacts and distant relations and to associate them with linguistic concepts. We introduce a general-purpose reusable neural unit called Conditional Relation Network (CRN) that serves as a building block to construct more sophisticated structures for representation and reasoning over video. CRN takes as input an array of tensorial objects and a conditioning feature, and computes an array of encoded output objects. Model building becomes a simple exercise of replication, rearrangement and stacking of these reusable units for diverse modalities and contextual information. This design thus supports high-order relational and multi-step reasoning. The resulting architecture for VideoQA is a CRN hierarchy whose branches represent sub-videos or clips, all sharing the same question as the contextual condition. Our evaluations on well-known datasets achieved new SoTA results, demonstrating the impact of building a general-purpose reasoning unit on complex domains such as VideoQA.