Yew Soon Ong

Jiahao Xie, Wei Li, Xiangtai Li et al.

We present MosaicFusion, a simple yet effective diffusion-based data augmentation approach for large vocabulary instance segmentation. Our method is training-free and does not rely on any label supervision. Two key designs enable us to employ an off-the-shelf text-to-image diffusion model as a useful dataset generator for object instances and mask annotations. First, we divide an image canvas into several regions and perform a single round of diffusion process to generate multiple instances simultaneously, conditioning on different text prompts. Second, we obtain corresponding instance masks by aggregating cross-attention maps associated with object prompts across layers and diffusion time steps, followed by simple thresholding and edge-aware refinement processing. Without bells and whistles, our MosaicFusion can produce a significant amount of synthetic labeled data for both rare and novel categories. Experimental results on the challenging LVIS long-tailed and open-vocabulary benchmarks demonstrate that MosaicFusion can significantly improve the performance of existing instance segmentation models, especially for rare and novel categories. Code: https://github.com/Jiahao000/MosaicFusion.

Jiahao Xie, Wei Li, Xiaohang Zhan et al.

We present Masked Frequency Modeling (MFM), a unified frequency-domain-based approach for self-supervised pre-training of visual models. Instead of randomly inserting mask tokens to the input embeddings in the spatial domain, in this paper, we shift the perspective to the frequency domain. Specifically, MFM first masks out a portion of frequency components of the input image and then predicts the missing frequencies on the frequency spectrum. Our key insight is that predicting masked components in the frequency domain is more ideal to reveal underlying image patterns rather than predicting masked patches in the spatial domain, due to the heavy spatial redundancy. Our findings suggest that with the right configuration of mask-and-predict strategy, both the structural information within high-frequency components and the low-level statistics among low-frequency counterparts are useful in learning good representations. For the first time, MFM demonstrates that, for both ViT and CNN, a simple non-Siamese framework can learn meaningful representations even using none of the following: (i) extra data, (ii) extra model, (iii) mask token. Experimental results on image classification and semantic segmentation, as well as several robustness benchmarks show the competitive performance and advanced robustness of MFM compared with recent masked image modeling approaches. Furthermore, we also comprehensively investigate the effectiveness of classical image restoration tasks for representation learning from a unified frequency perspective and reveal their intriguing relations with our MFM approach.

Xiaofeng Cao, Weixin Bu, Shengjun Huang et al.

Learning on big data brings success for artificial intelligence (AI), but the annotation and training costs are expensive. In future, learning on small data that approximates the generalization ability of big data is one of the ultimate purposes of AI, which requires machines to recognize objectives and scenarios relying on small data as humans. A series of learning topics is going on this way such as active learning and few-shot learning. However, there are few theoretical guarantees for their generalization performance. Moreover, most of their settings are passive, that is, the label distribution is explicitly controlled by finite training resources from known distributions. This survey follows the agnostic active sampling theory under a PAC (Probably Approximately Correct) framework to analyze the generalization error and label complexity of learning on small data in model-agnostic supervised and unsupervised fashion. Considering multiple learning communities could produce small data representation and related topics have been well surveyed, we thus subjoin novel geometric representation perspectives for small data: the Euclidean and non-Euclidean (hyperbolic) mean, where the optimization solutions including the Euclidean gradients, non-Euclidean gradients, and Stein gradient are presented and discussed. Later, multiple learning communities that may be improved by learning on small data are summarized, which yield data-efficient representations, such as transfer learning, contrastive learning, graph representation learning. Meanwhile, we find that the meta-learning may provide effective parameter update policies for learning on small data. Then, we explore multiple challenging scenarios for small data, such as the weak supervision and multi-label. Finally, multiple data applications that may benefit from efficient small data representation are surveyed.

Yao Ni, Jeremie Houssineau, Yew Soon Ong et al.

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.

Xin He, Junxi Shen, Yuchen Mou et al.

Classical models of opinion dynamics assume human participants with bounded rationality and limited coordination. The rise of LLM-based agents introduces a qualitative shift: agents can now participate in online discussions at scale, maintain consistent persuasion strategies, and coordinate systematically. This paper argues that LLM agents make collective belief dynamics programmable, enabling deliberate steering of population-level beliefs. We term this emerging problem programmable collective belief control. Through controlled multi-agent simulations, we provide proof-of-concept evidence that coordinated AI agents can induce measurable belief shifts that stabilize within a few interaction rounds. We identify four structural properties (indistinguishability, persistence, contextuality, and configurability) that make detection and defense fundamentally difficult. Based on these findings, we outline a research agenda spanning theoretical foundations for adversarial belief dynamics, operational methods for system-level detection and intervention, and simulation infrastructure for scalable experimentation. Our goal is not to present a complete solution, but to articulate why this problem demands urgent attention and to provide a conceptual foundation for future work.

Zonghao Ying, Siyang Wu, Run Hao et al.

Multimodal Large Language Models (MLLMs) have enabled transformative advancements across diverse applications but remain susceptible to safety threats, especially jailbreak attacks that induce harmful outputs. To systematically evaluate and improve their safety, we organized the Adversarial Testing & Large-model Alignment Safety Grand Challenge (ATLAS) 2025}. This technical report presents findings from the competition, which involved 86 teams testing MLLM vulnerabilities via adversarial image-text attacks in two phases: white-box and black-box evaluations. The competition results highlight ongoing challenges in securing MLLMs and provide valuable guidance for developing stronger defense mechanisms. The challenge establishes new benchmarks for MLLM safety evaluation and lays groundwork for advancing safer multimodal AI systems. The code and data for this challenge are openly available at https://github.com/NY1024/ATLAS_Challenge_2025.

Samal Mukhtar, Yinghua Yao, Zhu Sun et al.

Software vulnerability detection (SVD) is a critical challenge in modern systems. Large language models (LLMs) offer natural-language explanations alongside predictions, but most work focuses on binary evaluation, and explanations often lack semantic consistency with Common Weakness Enumeration (CWE) categories. We propose VulReaD, a knowledge-graph-guided approach for vulnerability reasoning and detection that moves beyond binary classification toward CWE-level reasoning. VulReaD leverages a security knowledge graph (KG) as a semantic backbone and uses a strong teacher LLM to generate CWE-consistent contrastive reasoning supervision, enabling student model training without manual annotations. Students are fine-tuned with Odds Ratio Preference Optimization (ORPO) to encourage taxonomy-aligned reasoning while suppressing unsupported explanations. Across three real-world datasets, VulReaD improves binary F1 by 8-10% and multi-class classification by 30% Macro-F1 and 18% Micro-F1 compared to state-of-the-art baselines. Results show that LLMs outperform deep learning baselines in binary detection and that KG-guided reasoning enhances CWE coverage and interpretability.

Mengmi Zhang, Elisa Pavarino, Xiao Liu et al.

As AI becomes increasingly embedded in daily life, ascertaining whether an agent is human is critical. We systematically benchmark AI's ability to imitate humans in three language tasks (image captioning, word association, conversation) and three vision tasks (color estimation, object detection, attention prediction), collecting data from 636 humans and 37 AI agents. Next, we conducted 72,191 Turing-like tests with 1,916 human judges and 10 AI judges. Current AIs are approaching the ability to convincingly impersonate humans and deceive human judges in both language and vision. Even simple AI judges outperformed humans in distinguishing AI from human responses. Imitation ability showed minimal correlation with conventional AI performance metrics, suggesting that passing as human is an important independent evaluation criterion. The large-scale Turing datasets and metrics introduced here offer valuable benchmarks for assessing human-likeness in AI and highlight the importance of rigorous, quantitative imitation tests for AI development.

Jiao Liu, Yew Soon Ong, Melvin Wong

Recently, evolutionary multitasking has been employed to generate a ``set of Pareto sets" (SOS) for machine learning models, addressing diverse task settings across heterogeneous environments. This involves creating a repository of compact, specialized solution models that are collectively tailored to each specific task setting and environment, enabling users to select the most suitable model based on particular specifications and preferences. In this paper, we further demonstrate the versatility and applicability of the SOS concept across diverse domains, focusing on three real-world problems: engineering design problems, inventory management problems, and hyperparameter optimization problems. Additionally, as evolutionary multitasking has proven effective in generating the SOS, we investigate the performance of current evolutionary multitasking methods on these real-world problems. Subsequently, we present visualizations of the generated SOS in both decision and objective spaces, complemented by the development of a measurement to gauge the similarity between different Pareto sets corresponding to diverse tasks. Finally, we show that by systematically examining the shifts in Pareto optimal designs across different task settings though the SOS solutions, users can gain deeper understandings on the dynamic interplay between design solutions and their performance in different settings or contexts.

Jiahao Xie, Xiaohang Zhan, Ziwei Liu et al.

Contrastive learning has recently shown immense potential in unsupervised visual representation learning. Existing studies in this track mainly focus on intra-image invariance learning. The learning typically uses rich intra-image transformations to construct positive pairs and then maximizes agreement using a contrastive loss. The merits of inter-image invariance, conversely, remain much less explored. One major obstacle to exploit inter-image invariance is that it is unclear how to reliably construct inter-image positive pairs, and further derive effective supervision from them since no pair annotations are available. In this work, we present a comprehensive empirical study to better understand the role of inter-image invariance learning from three main constituting components: pseudo-label maintenance, sampling strategy, and decision boundary design. To facilitate the study, we introduce a unified and generic framework that supports the integration of unsupervised intra- and inter-image invariance learning. Through carefully-designed comparisons and analysis, multiple valuable observations are revealed: 1) online labels converge faster and perform better than offline labels; 2) semi-hard negative samples are more reliable and unbiased than hard negative samples; 3) a less stringent decision boundary is more favorable for inter-image invariance learning. With all the obtained recipes, our final model, namely InterCLR, shows consistent improvements over state-of-the-art intra-image invariance learning methods on multiple standard benchmarks. We hope this work will provide useful experience for devising effective unsupervised inter-image invariance learning. Code: https://github.com/open-mmlab/mmselfsup.

Xiaohang Zhan, Jiahao Xie, Ziwei Liu et al.

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.

Tong Guo, Caishun Chen, Yew Soon Ong

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.

Meng Xu, Jiao Liu, Hua Yu et al.

Hyper-heuristics have become a popular approach for solving dynamic flexible job shop scheduling (DFJSS) problems. They use gradient-free optimization techniques like Genetic Programming (GP) to evolve non-differentiable heuristics. However, conventional GP methods tend to converge slowly because they rely solely on evolutionary search to find good heuristics. Existing multitask GP methods can solve multiple tasks simultaneously and speed up the search by transferring knowledge across similar tasks. But they mostly exchange heuristic building blocks without truly generating heuristics conditioned on task information. In this paper, we aim to accelerate convergence and enable task-specific heuristic generation by incorporating a task-conditioned Transformer model. The Transformer works in two ways. First, it learns the distribution of elite heuristics, biasing the search toward promising regions of the heuristic space. Second, through conditional generation, it produces heuristics tailored to specific tasks, allowing the model to handle multiple scheduling tasks at once and improving overall optimization efficiency. Based on these ideas, we propose TransGP, a Task-Conditioned Transformer-Guided GP framework. This evolutionary paradigm integrates generative modeling with GP, enabling efficient multitask heuristic learning and knowledge transfer. We evaluate TransGP on a range of DFJSS scenarios. Experimental results show that TransGP consistently outperforms multitask GP baselines, widely used handcrafted heuristics, and the pure Transformer model, achieving faster convergence, superior solution quality, and enhanced robustness.

Gaoxia Zhu, Vidya Sudarshan, Jason Fok Kow et al.

This research investigates distinct human-generative AI collaboration types and students' interaction experiences when collaborating with generative AI (i.e., ChatGPT) for problem-solving tasks and how these factors relate to students' sense of agency and perceived collaborative problem solving. By analyzing the surveys and reflections of 79 undergraduate students, we identified three human-generative AI collaboration types: even contribution, human leads, and AI leads. Notably, our study shows that 77.21% of students perceived they led or had even contributed to collaborative problem-solving when collaborating with ChatGPT. On the other hand, 15.19% of the human participants indicated that the collaborations were led by ChatGPT, indicating a potential tendency for students to rely on ChatGPT. Furthermore, 67.09% of students perceived their interaction experiences with ChatGPT to be positive or mixed. We also found a positive correlation between positive interaction experience and a sense of positive agency. The results of this study contribute to our understanding of the collaboration between students and generative AI and highlight the need to study further why some students let ChatGPT lead collaborative problem-solving and how to enhance their interaction experience through curriculum and technology design.

Xiaofeng Cao, Mingwei Xu, Xin Yu et al.

Learning with high-resource data has demonstrated substantial success in artificial intelligence (AI); however, the costs associated with data annotation and model training remain significant. A fundamental objective of AI research is to achieve robust generalization with limited-resource data. This survey employs agnostic active sampling theory within the Probably Approximately Correct (PAC) framework to analyze the generalization error and label complexity associated with learning from low-resource data in both model-agnostic supervised and unsupervised settings. Based on this analysis, we investigate a suite of optimization strategies tailored for low-resource data learning, including gradient-informed optimization, meta-iteration optimization, geometry-aware optimization, and LLMs-powered optimization. Furthermore, we provide a comprehensive overview of multiple learning paradigms that can benefit from low-resource data, including domain transfer, reinforcement feedback, and hierarchical structure modeling. Finally, we conclude our analysis and investigation by summarizing the key findings and highlighting their implications for learning with low-resource data.

Zhangfan Yang, Junkai Ji, Shan He et al.

Molecular docking is a crucial step in drug development, which enables the virtual screening of compound libraries to identify potential ligands that target proteins of interest. However, the computational complexity of traditional docking models increases as the size of the compound library increases. Recently, deep learning algorithms can provide data-driven research and development models to increase the speed of the docking process. Unfortunately, few models can achieve superior screening performance compared to that of traditional models. Therefore, a novel deep learning-based docking approach named Dockformer is introduced in this study. Dockformer leverages multimodal information to capture the geometric topology and structural knowledge of molecules and can directly generate binding conformations with the corresponding confidence measures in an end-to-end manner. The experimental results show that Dockformer achieves success rates of 90.53% and 82.71% on the PDBbind core set and PoseBusters benchmarks, respectively, and more than a 100-fold increase in the inference process speed, outperforming almost all state-of-the-art docking methods. In addition, the ability of Dockformer to identify the main protease inhibitors of coronaviruses is demonstrated in a real-world virtual screening scenario. Considering its high docking accuracy and screening efficiency, Dockformer can be regarded as a powerful and robust tool in the field of drug design.

Meng Xu, Jiao Liu, Yew Soon Ong

Genetic programming (GP) has demonstrated strong effectiveness in evolving tree-structured heuristics for complex optimization problems. Yet, in dynamic and large-scale scenarios, the most effective heuristics are often highly complex, hindering interpretability, slowing convergence, and limiting transferability across tasks. To address these challenges, we present EvoSpeak, a novel framework that integrates GP with large language models (LLMs) to enhance the efficiency, transparency, and adaptability of heuristic evolution. EvoSpeak learns from high-quality GP heuristics, extracts knowledge, and leverages this knowledge to (i) generate warm-start populations that accelerate convergence, (ii) translate opaque GP trees into concise natural-language explanations that foster interpretability and trust, and (iii) enable knowledge transfer and preference-aware heuristic generation across related tasks. We verify the effectiveness of EvoSpeak through extensive experiments on dynamic flexible job shop scheduling (DFJSS), under both single- and multi-objective formulations. The results demonstrate that EvoSpeak produces more effective heuristics, improves evolutionary efficiency, and delivers human-readable reports that enhance usability. By coupling the symbolic reasoning power of GP with the interpretative and generative strengths of LLMs, EvoSpeak advances the development of intelligent, transparent, and user-aligned heuristics for real-world optimization problems.

Chenyu Hou, Hua Yu, Gaoxia Zhu et al.

Computational Thinking (CT) is a foundational problem-solving skill, and gamified programming environments are a widely adopted approach to cultivating it. While large language models (LLMs) provide on-demand programming support, current applications rarely foster CT development. We present MazeMate, an LLM-powered chatbot embedded in a 3D Maze programming game, designed to deliver adaptive, context-sensitive scaffolds aligned with CT processes in maze solving and maze design. We report on the first classroom implementation with 247 undergraduates. Students rated MazeMate as moderately helpful, with higher perceived usefulness for maze solving than for maze design. Thematic analysis confirmed support for CT processes such as decomposition, abstraction, and algorithmic thinking, while also revealing limitations in supporting maze design, including mismatched suggestions and fabricated algorithmic solutions. These findings demonstrate the potential of LLM-based scaffolding to support CT and underscore directions for design refinement to enhance MazeMate usability in authentic classrooms.

Li Rong Wang, Thomas C. Henderson, Yew Soon Ong et al.

Vital signs, such as heart rate and blood pressure, are critical indicators of patient health and are widely used in clinical monitoring and decision-making. While deep learning models have shown promise in forecasting these signals, their deployment in healthcare remains limited in part because clinicians must be able to trust and interpret model outputs. Without reliable uncertainty quantification -- particularly calibrated prediction intervals (PIs) -- it is unclear whether a forecasted abnormality constitutes a meaningful warning or merely reflects model noise, hindering clinical decision-making. To address this, we present two methods for deriving PIs from the Reconstruction Uncertainty Estimate (RUE), an uncertainty measure well-suited to vital-sign forecasting due to its sensitivity to data shifts and support for label-free calibration. Our parametric approach assumes that prediction errors and uncertainty estimates follow a Gaussian copula distribution, enabling closed-form PI computation. Our non-parametric approach, based on k-nearest neighbours (KNN), empirically estimates the conditional error distribution using similar validation instances. We evaluate these methods on two large public datasets with minute- and hour-level sampling, representing high- and low-frequency health signals. Experiments demonstrate that the Gaussian copula method consistently outperforms conformal prediction baselines on low-frequency data, while the KNN approach performs best on high-frequency data. These results underscore the clinical promise of RUE-derived PIs for delivering interpretable, uncertainty-aware vital sign forecasts.

Ziqing Wu, Zhu Sun, Dongxia Wang et al.

Large language models (LLMs) have shown promising potential for next Point-of-Interest (POI) recommendation. However, existing methods only perform direct zero-shot prompting, leading to ineffective extraction of user preferences, insufficient injection of collaborative signals, and a lack of user privacy protection. As such, we propose a novel Multitask Reflective Large Language Model for Privacy-preserving Next POI Recommendation (MRP-LLM), aiming to exploit LLMs for better next POI recommendation while preserving user privacy. Specifically, the Multitask Reflective Preference Extraction Module first utilizes LLMs to distill each user's fine-grained (i.e., categorical, temporal, and spatial) preferences into a knowledge base (KB). The Neighbor Preference Retrieval Module retrieves and summarizes the preferences of similar users from the KB to obtain collaborative signals. Subsequently, aggregating the user's preferences with those of similar users, the Multitask Next POI Recommendation Module generates the next POI recommendations via multitask prompting. Meanwhile, during data collection, a Privacy Transmission Module is specifically devised to preserve sensitive POI data. Extensive experiments on three real-world datasets demonstrate the efficacy of our proposed MRP-LLM in providing more accurate next POI recommendations with user privacy preserved.

Melvin Wong, Jiao Liu, Thiago Rios et al.

This paper presents LLM2TEA, a Large Language Model (LLM) driven MultiTask Evolutionary Algorithm, representing the first agentic AI designer of its kind operating with generative evolutionary multitasking (GEM). LLM2TEA enables the crossbreeding of solutions from multiple domains, fostering novel solutions that transcend disciplinary boundaries. Of particular interest is the ability to discover designs that are both novel and conforming to real-world physical specifications. LLM2TEA comprises an LLM to generate genotype samples from text prompts describing target objects, a text-to-3D generative model to produce corresponding phenotypes, a classifier to interpret its semantic representations, and a computational simulator to assess its physical properties. Novel LLM-based multitask evolutionary operators are introduced to guide the search towards high-performing, practically viable designs. Experimental results in conceptual design optimization validate the effectiveness of LLM2TEA, showing 97% to 174% improvements in the diversity of novel designs over the current text-to-3D baseline. Moreover, over 73% of the generated designs outperform the top 1% of designs produced by the text-to-3D baseline in terms of physical performance. The designs produced by LLM2TEA are not only aesthetically creative but also functional in real-world contexts. Several of these designs have been successfully 3D printed, demonstrating the ability of our approach to transform AI-generated outputs into tangible, physical designs. These designs underscore the potential of LLM2TEA as a powerful tool for complex design optimization and discovery, capable of producing novel and physically viable designs.

Melvin Wong, Thiago Rios, Stefan Menzel et al.

Engineering design optimization requires an efficient combination of a 3D shape representation, an optimization algorithm, and a design performance evaluation method, which is often computationally expensive. We present a prompt evolution design optimization (PEDO) framework contextualized in a vehicle design scenario that leverages a vision-language model for penalizing impractical car designs synthesized by a generative model. The backbone of our framework is an evolutionary strategy coupled with an optimization objective function that comprises a physics-based solver and a vision-language model for practical or functional guidance in the generated car designs. In the prompt evolutionary search, the optimizer iteratively generates a population of text prompts, which embed user specifications on the aerodynamic performance and visual preferences of the 3D car designs. Then, in addition to the computational fluid dynamics simulations, the pre-trained vision-language model is used to penalize impractical designs and, thus, foster the evolutionary algorithm to seek more viable designs. Our investigations on a car design optimization problem show a wide spread of potential car designs generated at the early phase of the search, which indicates a good diversity of designs in the initial populations, and an increase of over 20\% in the probability of generating practical designs compared to a baseline framework without using a vision-language model. Visual inspection of the designs against the performance results demonstrates prompt evolution as a very promising paradigm for finding novel designs with good optimization performance while providing ease of use in specifying design specifications and preferences via a natural language interface.

Yueming Lyu, Kim Yong Tan, Yew Soon Ong et al.

Diffusion models have demonstrated great potential in generating high-quality content for images, natural language, protein domains, etc. However, how to perform user-preferred targeted generation via diffusion models with only black-box target scores of users remains challenging. To address this issue, we first formulate the fine-tuning of the targeted reserve-time stochastic differential equation (SDE) associated with a pre-trained diffusion model as a sequential black-box optimization problem. Furthermore, we propose a novel covariance-adaptive sequential optimization algorithm to optimize cumulative black-box scores under unknown transition dynamics. Theoretically, we prove a $O(\frac{d^2}{\sqrt{T}})$ convergence rate for cumulative convex functions without smooth and strongly convex assumptions. Empirically, experiments on both numerical test problems and target-guided 3D-molecule generation tasks show the superior performance of our method in achieving better target scores.

Jiahao Xie, Xiaohang Zhan, Ziwei Liu et al.

Contrastive self-supervised learning has largely narrowed the gap to supervised pre-training on ImageNet. However, its success highly relies on the object-centric priors of ImageNet, i.e., different augmented views of the same image correspond to the same object. Such a heavily curated constraint becomes immediately infeasible when pre-trained on more complex scene images with many objects. To overcome this limitation, we introduce Object-level Representation Learning (ORL), a new self-supervised learning framework towards scene images. Our key insight is to leverage image-level self-supervised pre-training as the prior to discover object-level semantic correspondence, thus realizing object-level representation learning from scene images. Extensive experiments on COCO show that ORL significantly improves the performance of self-supervised learning on scene images, even surpassing supervised ImageNet pre-training on several downstream tasks. Furthermore, ORL improves the downstream performance when more unlabeled scene images are available, demonstrating its great potential of harnessing unlabeled data in the wild. We hope our approach can motivate future research on more general-purpose unsupervised representation learning from scene data.

Pengfei Wei, Xinghua Qu, Yew Soon Ong et al.

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.

Alvin Chan, Yi Tay, Yew Soon Ong et al.

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.

Andri Ashfahani, Mahardhika Pratama, Edwin Lughofer et al.

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.

Mahardhika Pratama, Choiru Za'in, Andri Ashfahani et al.

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.

Mahardhika Pratama, Andri Ashfahani, Yew Soon Ong et al.

The generative learning phase of Autoencoder (AE) and its successor Denosing Autoencoder (DAE) enhances the flexibility of data stream method in exploiting unlabelled samples. Nonetheless, the feasibility of DAE for data stream analytic deserves in-depth study because it characterizes a fixed network capacity which cannot adapt to rapidly changing environments. An automated construction of a denoising autoeconder, namely deep evolving denoising autoencoder (DEVDAN), is proposed in this paper. DEVDAN features an open structure both in the generative phase and in the discriminative phase where input features can be automatically added and discarded on the fly. A network significance (NS) method is formulated in this paper and is derived from the bias-variance concept. This method is capable of estimating the statistical contribution of the network structure and its hidden units which precursors an ideal state to add or prune input features. Furthermore, DEVDAN is free of the problem- specific threshold and works fully in the single-pass learning fashion. The efficacy of DEVDAN is numerically validated using nine non-stationary data stream problems simulated under the prequential test-then-train protocol where DEVDAN is capable of delivering an improvement of classification accuracy to recently published online learning works while having flexibility in the automatic extraction of robust input features and in adapting to rapidly changing environments.

Alvin Chan, Lei Ma, Felix Juefei-Xu et al.

Deep neural networks (DNN), while becoming the driving force of many novel technology and achieving tremendous success in many cutting-edge applications, are still vulnerable to adversarial attacks. Differentiable neural computer (DNC) is a novel computing machine with DNN as its central controller operating on an external memory module for data processing. The unique architecture of DNC contributes to its state-of-the-art performance in tasks which requires the ability to represent variables and data structure as well as to store data over long timescales. However, there still lacks a comprehensive study on how adversarial examples affect DNC in terms of robustness. In this paper, we propose metamorphic relation based adversarial techniques for a range of tasks described in the natural processing language domain. We show that the near-perfect performance of the DNC in bAbI logical question answering tasks can be degraded by adversarially injected sentences. We further perform in-depth study on the role of DNC's memory size in its robustness and analyze the potential reason causing why DNC fails. Our study demonstrates the current challenges and potential opportunities towards constructing more robust DNCs.

Adam Żychowski, Abhishek Gupta, Jacek Mańdziuk et al.

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.

Hao Yang, Joey Tianyi Zhou, Jianfei Cai et al.

Multi-instance multi-label (MIML) learning has many interesting applications in computer visions, including multi-object recognition and automatic image tagging. In these applications, additional information such as bounding-boxes, image captions and descriptions is often available during training phrase, which is referred as privileged information (PI). However, as existing works on learning using PI only consider instance-level PI (privileged instances), they fail to make use of bag-level PI (privileged bags) available in MIML learning. Therefore, in this paper, we propose a two-stream fully convolutional network, named MIML-FCN+, unified by a novel PI loss to solve the problem of MIML learning with privileged bags. Compared to the previous works on PI, the proposed MIML-FCN+ utilizes the readily available privileged bags, instead of hard-to-obtain privileged instances, making the system more general and practical in real world applications. As the proposed PI loss is convex and SGD compatible and the framework itself is a fully convolutional network, MIML-FCN+ can be easily integrated with state of-the-art deep learning networks. Moreover, the flexibility of convolutional layers allows us to exploit structured correlations among instances to facilitate more effective training and testing. Experimental results on three benchmark datasets demonstrate the effectiveness of the proposed MIML-FCN+, outperforming state-of-the-art methods in the application of multi-object recognition.

Liang Feng, Yew Soon Ong, Ah Hwee Tan et al.

A significantly under-explored area of evolutionary optimization in the literature is the study of optimization methodologies that can evolve along with the problems solved. Particularly, present evolutionary optimization approaches generally start their search from scratch or the ground-zero state of knowledge, independent of how similar the given new problem of interest is to those optimized previously. There has thus been the apparent lack of automated knowledge transfers and reuse across problems. Taking the cue, this paper introduces a novel Memetic Computational Paradigm for search, one that models after how human solves problems, and embarks on a study towards intelligent evolutionary optimization of problems through the transfers of structured knowledge in the form of memes learned from previous problem-solving experiences, to enhance future evolutionary searches. In particular, the proposed memetic search paradigm is composed of four culture-inspired operators, namely, Meme Learning, Meme Selection, Meme Variation and Meme Imitation. The learning operator mines for memes in the form of latent structures derived from past experiences of problem-solving. The selection operator identifies the fit memes that replicate and transmit across problems, while the variation operator introduces innovations into the memes. The imitation operator, on the other hand, defines how fit memes assimilate into the search process of newly encountered problems, thus gearing towards efficient and effective evolutionary optimization. Finally, comprehensive studies on two widely studied challenging well established NP-hard routing problem domains, particularly, the capacitated vehicle routing (CVR) and capacitated arc routing (CAR), confirm the high efficacy of the proposed memetic computational search paradigm for intelligent evolutionary optimization of problems.

Yiteng Zhai, Mingkui Tan, Ivor Tsang et al.

In this paper, a novel learning paradigm is presented to automatically identify groups of informative and correlated features from very high dimensions. Specifically, we explicitly incorporate correlation measures as constraints and then propose an efficient embedded feature selection method using recently developed cutting plane strategy. The benefits of the proposed algorithm are two-folds. First, it can identify the optimal discriminative and uncorrelated feature subset to the output labels, denoted here as Support Features, which brings about significant improvements in prediction performance over other state of the art feature selection methods considered in the paper. Second, during the learning process, the underlying group structures of correlated features associated with each support feature, denoted as Affiliated Features, can also be discovered without any additional cost. These affiliated features serve to improve the interpretations on the learning tasks. Extensive empirical studies on both synthetic and very high dimensional real-world datasets verify the validity and efficiency of the proposed method.