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Yew Soon Ong

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Machine Learning Artificial Intelligence Computer Vision Neural and Evolutionary Computing Cryptography and Security

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preprint2026arXiv

Automated Large-scale CVRP Solver Design via LLM-assisted Flexible MCTS

Solving large-scale CVRP (LSCVRP) with hundreds to thousands of nodes remains difficult for even state-of-the-art solvers. Divide-and-conquer can scale by decomposing the instance into size-reduced subproblems, but designing decomposition logic and configuring sub-solvers is highly expertise- and labor-intensive. Large Language Models (LLMs) have emerged as promising tools for automated algorithm design. However, existing LLM-driven approaches struggle with LSCVRP primarily due to the difficulty in generating sophisticated search strategies within a limited context window. To bridge this gap, we propose the LLM-assisted Flexible Monte Carlo Tree Search (LaF-MCTS), a novel framework that automates the design of high-performance LSCVRP solvers. We develop a three-tier decision hierarchy to enable incremental design of decomposition policies and sub-solvers for LSCVRP. To enable efficient search within the algorithmic hypothesis space, we introduce semantic pruning to eliminate semantically and structurally redundant codes, and branch regrowth to regenerate codes and preserve diversity. Extensive experiments on CVRPLib demonstrate that LaF-MCTS autonomously composes and optimizes decomposition-enhanced solvers that surpasses various state-of-the-art CVRP solvers.

preprint2026arXiv

Flow-Direct: Feedback-Efficient and Reusable Guidance for Flow Models via Non-Parametric Guidance Field

Training-free guidance enables pre-trained diffusion and flow models to optimize application-specific objectives using feedback from external black-box reward functions. However, existing methods are feedback-inefficient because reward feedback is used only transiently to inform a localized gradient approximation or a discrete search decision, and is subsequently discarded. To address this limitation, we propose Flow-Direct, a framework that guides the generation process via a persistent guidance field. Theoretically, this guidance field is analytically derived from the log-density ratio between the base and reward-weighted target distributions; it transports the pre-trained distribution to the target distribution. In practice, the field is implemented as a non-parametric estimator constructed from all accumulated reward-evaluated samples. As more samples are collected during optimization, this empirical guidance field becomes increasingly accurate. This persistent formulation yields two major advantages. First, Flow-Direct is highly feedback-efficient: because every evaluated sample is used to refine the global guidance field, no reward information is wasted. Second, the framework is naturally reusable: once optimization is complete, the collected dataset defines a reusable guidance field for generating novel target samples without additional reward evaluations, and distinct guidance fields can be combined to generate samples that simultaneously satisfy multiple objectives.

preprint2026arXiv

Learning with Foresight: Enhancing Neural Routing Policy via Multi-Node Lookahead Prediction

Neural policies have shown promise in solving vehicle routing problems due to their reduced reliance on handcrafted heuristics. However, current training paradigms suffer from a fundamental limitation: they primarily focus on next-node prediction for solution construction, resulting in myopic decision-making that undermines long-horizon planning capacity. To this end, we introduce Multi-node Lookahead Prediction (MnLP), a novel training strategy that extends the supervised learning paradigm to predict multiple future nodes simultaneously. We incorporate causal and discardable MnLP modules that operate exclusively during training, facilitating models to anticipate multi-step decisions while preserving inference-time efficiency. By incorporating multi-depth auxiliary supervision into the loss function, MnLP equips neural policies with the ability of long-range contextual understanding. Experimentally, MnLP outperforms existing training methods, improving the generalization capability of neural policies across various problem sizes, distributions, and real-world benchmarks. Moreover, MnLP can be seamlessly integrated into diverse neural architectures without introducing additional inference overhead.

preprint2026arXiv

Meta-Inverse Physics-Informed Neural Networks for High-Dimensional Ordinary Differential Equations

Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover unknown parameters or model unknown dynamics even as the underlying physics is only partially characterized, and observations are sparse and limited to specific measurable channels. While physics-informed neural networks (PINNs) are ideal for inverse inference under partial observability, existing PINNs typically rely on task-specific joint optimization, which suffers from optimization difficulties and poor generalization. In this paper, we propose a meta-inverse physics-informed neural network (MI-PINN) that reformulates inverse modeling as a two-stage meta-learning problem. MI-PINN first learns a physics-aware representation across multiple tasks, and then performs inverse modeling by optimizing task-specific unknowns while keeping the learned representation fixed. This two-stage formulation significantly reduces the parameter search dimension, thereby improving sample efficiency and enabling accurate inference. To handle multi-scale dynamics common in these high-dimensional ODE systems, we further introduce an adaptive clustering-based multi-branch learning scheme. We demonstrate the effectiveness of MI-PINN on whole-body physiologically based pharmacokinetic (PBPK) models with up to 33 coupled ODEs, using paracetamol and theophylline under intravenous and oral dosing scenarios. Experimental results show that MI-PINN enables accurate recovery of masked kinetic parameters and reconstruction of missing mechanistic terms despite limited clinical observations.

preprint2026arXiv

Possibilistic Predictive Uncertainty for Deep Learning

Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modelling. Existing methods for uncertainty modelling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous derivations connecting their specific objectives to epistemic uncertainty quantification. To resolve this dilemma, we introduce Dirichlet-approximated possibilistic posterior predictions (DAPPr), a principled framework leveraging possibility theory. We define a possibilistic posterior over parameters, projects this posterior to the prediction space via supremum operators, and approximates the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Extensive experiments across diverse benchmarks demonstrate that our approach achieves competitive or superior uncertainty quantification performance compared to state-of-the-art evidential deep learning methods while maintaining both principled derivation and computational efficiency. Code will be available at https://github.com/MaxwellYaoNi/DAPPr.

preprint2022arXiv

An Improved Transfer Model: Randomized Transferable Machine

Feature-based transfer is one of the most effective methodologies for transfer learning. Existing studies usually assume that the learned new feature representation is \emph{domain-invariant}, and thus train a transfer model $\mathcal{M}$ on the source domain. In this paper, we consider a more realistic scenario where the new feature representation is suboptimal and small divergence still exists across domains. We propose a new transfer model called Randomized Transferable Machine (RTM) to handle such small divergence of domains. Specifically, we work on the new source and target data learned from existing feature-based transfer methods. The key idea is to enlarge source training data populations by randomly corrupting the new source data using some noises, and then train a transfer model $\widetilde{\mathcal{M}}$ that performs well on all the corrupted source data populations. In principle, the more corruptions are made, the higher the probability of the new target data can be covered by the constructed source data populations, and thus better transfer performance can be achieved by $\widetilde{\mathcal{M}}$. An ideal case is with infinite corruptions, which however is infeasible in reality. We develop a marginalized solution that enables to train an $\widetilde{\mathcal{M}}$ without conducting any corruption but equivalent to be trained using infinite source noisy data populations. We further propose two instantiations of $\widetilde{\mathcal{M}}$, which theoretically show the transfer superiority over the conventional transfer model $\mathcal{M}$. More importantly, both instantiations have closed-form solutions, leading to a fast and efficient training process. Experiments on various real-world transfer tasks show that RTM is a promising transfer model.

preprint2020arXiv

Automatic Construction of Multi-layer Perceptron Network from Streaming Examples

Autonomous construction of deep neural network (DNNs) is desired for data streams because it potentially offers two advantages: proper model's capacity and quick reaction to drift and shift. While the self-organizing mechanism of DNNs remains an open issue, this task is even more challenging to be developed for standard multi-layer DNNs than that using the different-depth structures, because the addition of a new layer results in information loss of previously trained knowledge. A Neural Network with Dynamically Evolved Capacity (NADINE) is proposed in this paper. NADINE features a fully open structure where its network structure, depth and width, can be automatically evolved from scratch in an online manner and without the use of problem-specific thresholds. NADINE is structured under a standard MLP architecture and the catastrophic forgetting issue during the hidden layer addition phase is resolved using the proposal of soft-forgetting and adaptive memory methods. The advantage of NADINE, namely elastic structure and online learning trait, is numerically validated using nine data stream classification and regression problems where it demonstrates performance improvement over prominent algorithms in all problems. In addition, it is capable of dealing with data stream regression and classification problems equally well.

preprint2020arXiv

DEVDAN: Deep Evolving Denoising Autoencoder

The Denoising Autoencoder (DAE) enhances the flexibility of the data stream method in exploiting unlabeled samples. Nonetheless, the feasibility of DAE for data stream analytic deserves an in-depth study because it characterizes a fixed network capacity that cannot adapt to rapidly changing environments. Deep evolving denoising autoencoder (DEVDAN), is proposed in this paper. It features an open structure in the generative phase and the discriminative phase where the hidden units can be automatically added and discarded on the fly. The generative phase refines the predictive performance of the discriminative model exploiting unlabeled data. Furthermore, DEVDAN is free of the problem-specific threshold and works fully in the single-pass learning fashion. We show that DEVDAN can find competitive network architecture compared with state-of-the-art methods on the classification task using ten prominent datasets simulated under the prequential test-then-train protocol.

preprint2020arXiv

Jacobian Adversarially Regularized Networks for Robustness

Adversarial examples are crafted with imperceptible perturbations with the intent to fool neural networks. Against such attacks, adversarial training and its variants stand as the strongest defense to date. Previous studies have pointed out that robust models that have undergone adversarial training tend to produce more salient and interpretable Jacobian matrices than their non-robust counterparts. A natural question is whether a model trained with an objective to produce salient Jacobian can result in better robustness. This paper answers this question with affirmative empirical results. We propose Jacobian Adversarially Regularized Networks (JARN) as a method to optimize the saliency of a classifier's Jacobian by adversarially regularizing the model's Jacobian to resemble natural training images. Image classifiers trained with JARN show improved robust accuracy compared to standard models on the MNIST, SVHN and CIFAR-10 datasets, uncovering a new angle to boost robustness without using adversarial training examples.

preprint2020arXiv

Online Deep Clustering for Unsupervised Representation Learning

Joint clustering and feature learning methods have shown remarkable performance in unsupervised representation learning. However, the training schedule alternating between feature clustering and network parameters update leads to unstable learning of visual representations. To overcome this challenge, we propose Online Deep Clustering (ODC) that performs clustering and network update simultaneously rather than alternatingly. Our key insight is that the cluster centroids should evolve steadily in keeping the classifier stably updated. Specifically, we design and maintain two dynamic memory modules, i.e., samples memory to store samples labels and features, and centroids memory for centroids evolution. We break down the abrupt global clustering into steady memory update and batch-wise label re-assignment. The process is integrated into network update iterations. In this way, labels and the network evolve shoulder-to-shoulder rather than alternatingly. Extensive experiments demonstrate that ODC stabilizes the training process and boosts the performance effectively. Code: https://github.com/open-mmlab/OpenSelfSup.

preprint2017arXiv

Addressing Expensive Multi-objective Games with Postponed Preference Articulation via Memetic Co-evolution

This paper presents algorithmic and empirical contributions demonstrating that the convergence characteristics of a co-evolutionary approach to tackle Multi-Objective Games (MOGs) with postponed preference articulation can often be hampered due to the possible emergence of the so-called Red Queen effect. Accordingly, it is hypothesized that the convergence characteristics can be significantly improved through the incorporation of memetics (local solution refinements as a form of lifelong learning), as a promising means of mitigating (or at least suppressing) the Red Queen phenomenon by providing a guiding hand to the purely genetic mechanisms of co-evolution. Our practical motivation is to address MOGs of a time-sensitive nature that are characterized by computationally expensive evaluations, wherein there is a natural need to reduce the total number of true function evaluations consumed in achieving good quality solutions. To this end, we propose novel enhancements to co-evolutionary approaches for tackling MOGs, such that memetic local refinements can be efficiently applied on evolved candidate strategies by searching on computationally cheap surrogate payoff landscapes (that preserve postponed preference conditions). The efficacy of the proposal is demonstrated on a suite of test MOGs that have been designed.

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