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.

Shengcai Liu, Zhiyuan Wang, Yew-Soon Ong et al.

Discrete optimization is ubiquitous in science and engineering. The vast array of existing discrete optimization problems, coupled with the continuous emergence of new ones, necessitates off-the-shelf optimizers capable of generating high-quality solutions for a large variety of optimization problems. This article introduces MEGO, a novel general-purpose neural optimizer for binary optimization under the black-box setting, intended for broad applicability across diverse binary optimization problem classes with minimal problem-specific customization. MEGO comprises a mixture-of-experts trained without domain knowledge. When presented with a new problem instance to solve, it employs a routing policy to dynamically activate the most relevant expert models to generate high-quality solutions. The strong generalization capability of MEGO is demonstrated on six problem classes from different disciplines, including classic problems and real-world applications. Trained solely on classic problems, MEGO effectively generalizes to unseen and complex real-world problem classes, significantly outperforming widely-used general-purpose optimizers in both solution quality and efficiency. Furthermore, MEGO provides a computational approach for quantifying similarity between optimization problems and classifying them, which is fundamentally different from the conventional analysis-based problem classification.

Qiancheng Fu, Qingshan Xu, Yew-Soon Ong et al.

Recently, neural implicit surfaces learning by volume rendering has become popular for multi-view reconstruction. However, one key challenge remains: existing approaches lack explicit multi-view geometry constraints, hence usually fail to generate geometry consistent surface reconstruction. To address this challenge, we propose geometry-consistent neural implicit surfaces learning for multi-view reconstruction. We theoretically analyze that there exists a gap between the volume rendering integral and point-based signed distance function (SDF) modeling. To bridge this gap, we directly locate the zero-level set of SDF networks and explicitly perform multi-view geometry optimization by leveraging the sparse geometry from structure from motion (SFM) and photometric consistency in multi-view stereo. This makes our SDF optimization unbiased and allows the multi-view geometry constraints to focus on the true surface optimization. Extensive experiments show that our proposed method achieves high-quality surface reconstruction in both complex thin structures and large smooth regions, thus outperforming the state-of-the-arts by a large margin.

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.

Nicholas Sung Wei Yong, Jian Cheng Wong, Pao-Hsiung Chiu et al.

The potential of learned models for fundamental scientific research and discovery is drawing increasing attention worldwide. Physics-informed neural networks (PINNs), where the loss function directly embeds governing equations of scientific phenomena, is one of the key techniques at the forefront of recent advances. PINNs are typically trained using stochastic gradient descent methods, akin to their deep learning counterparts. However, analysis in this paper shows that PINNs' unique loss formulations lead to a high degree of complexity and ruggedness that may not be conducive for gradient descent. Unlike in standard deep learning, PINN training requires globally optimum parameter values that satisfy physical laws as closely as possible. Spurious local optimum, indicative of erroneous physics, must be avoided. Hence, neuroevolution algorithms, with their superior global search capacity, may be a better choice for PINNs relative to gradient descent methods. Here, we propose a set of five benchmark problems, with open-source codes, spanning diverse physical phenomena for novel neuroevolution algorithm development. Using this, we compare two neuroevolution algorithms against the commonly used stochastic gradient descent, and our baseline results support the claim that neuroevolution can surpass gradient descent, ensuring better physics compliance in the predicted outputs. %Furthermore, implementing neuroevolution with JAX leads to orders of magnitude speedup relative to standard implementations.

Zhu Sun, Hui Fang, Jie Yang et al.

Recently, one critical issue looms large in the field of recommender systems -- there are no effective benchmarks for rigorous evaluation -- which consequently leads to unreproducible evaluation and unfair comparison. We, therefore, conduct studies from the perspectives of practical theory and experiments, aiming at benchmarking recommendation for rigorous evaluation. Regarding the theoretical study, a series of hyper-factors affecting recommendation performance throughout the whole evaluation chain are systematically summarized and analyzed via an exhaustive review on 141 papers published at eight top-tier conferences within 2017-2020. We then classify them into model-independent and model-dependent hyper-factors, and different modes of rigorous evaluation are defined and discussed in-depth accordingly. For the experimental study, we release DaisyRec 2.0 library by integrating these hyper-factors to perform rigorous evaluation, whereby a holistic empirical study is conducted to unveil the impacts of different hyper-factors on recommendation performance. Supported by the theoretical and experimental studies, we finally create benchmarks for rigorous evaluation by proposing standardized procedures and providing performance of ten state-of-the-arts across six evaluation metrics on six datasets as a reference for later study. Overall, our work sheds light on the issues in recommendation evaluation, provides potential solutions for rigorous evaluation, and lays foundation for further investigation.

Longbing Cao, Hui Chen, Xuhui Fan et al.

Federated learning (FL) demonstrates its advantages in integrating distributed infrastructure, communication, computing and learning in a privacy-preserving manner. However, the robustness and capabilities of existing FL methods are challenged by limited and dynamic data and conditions, complexities including heterogeneities and uncertainties, and analytical explainability. Bayesian federated learning (BFL) has emerged as a promising approach to address these issues. This survey presents a critical overview of BFL, including its basic concepts, its relations to Bayesian learning in the context of FL, and a taxonomy of BFL from both Bayesian and federated perspectives. We categorize and discuss client- and server-side and FL-based BFL methods and their pros and cons. The limitations of the existing BFL methods and the future directions of BFL research further address the intricate requirements of real-life FL applications.

Jian Cheng Wong, Pao-Hsiung Chiu, Chinchun Ooi et al.

We present a novel loss formulation for efficient learning of complex dynamics from governing physics, typically described by partial differential equations (PDEs), using physics-informed neural networks (PINNs). In our experiments, existing versions of PINNs are seen to learn poorly in many problems, especially for complex geometries, as it becomes increasingly difficult to establish appropriate sampling strategy at the near boundary region. Overly dense sampling can adversely impede training convergence if the local gradient behaviors are too complex to be adequately modelled by PINNs. On the other hand, if the samples are too sparse, existing PINNs tend to overfit the near boundary region, leading to incorrect solution. To prevent such issues, we propose a new Boundary Connectivity (BCXN) loss function which provides linear local structure approximation (LSA) to the gradient behaviors at the boundary for PINN. Our BCXN-loss implicitly imposes local structure during training, thus facilitating fast physics-informed learning across entire problem domains with order of magnitude sparser training samples. This LSA-PINN method shows a few orders of magnitude smaller errors than existing methods in terms of the standard L2-norm metric, while using dramatically fewer training samples and iterations. Our proposed LSA-PINN does not pose any requirement on the differentiable property of the networks, and we demonstrate its benefits and ease of implementation on both multi-layer perceptron and convolutional neural network versions as commonly used in current PINN literature.

Shaofeng Zhang, Shengcai Liu, Ning Lu et al.

Combinatorial optimization problems are widely encountered in real-world applications. A critical research challenge lies in designing high-quality heuristic algorithms that efficiently approximate optimal solutions within a reasonable time. In recent years, many works have explored integrating Large Language Models (LLMs) with Evolutionary Algorithms to automate heuristic algorithm design through prompt engineering. However, these approaches generally adopt a problem-specific paradigm, applying a single algorithm across all problem instances, failing to account for the heterogeneity across instances. In this paper, we propose InstSpecHH, a novel framework that introduces the concept of instance-specific heuristic generation. InstSpecHH partitions the overall problem class into sub-classes based on instance features and performs differentiated, automated heuristic design for each problem subclass. By tailoring heuristics to the unique features of different sub-classes, InstSpecHH achieves better performance at the problem class level while avoiding redundant heuristic generation for similar instances, thus reducing computational overhead. This approach effectively balances the trade-off between the cost of automatic heuristic design and the quality of the obtained solutions. To evaluate the performance of InstSpecHH, we conduct comprehensive experiments on 4,500 subclasses of the Online Bin Packing Problem (OBPP) and 365 subclasses of the Capacitated Vehicle Routing Problem (CVRP). Experimental results show that InstSpecHH demonstrates strong intra-subclass and inter-subclass generalization capabilities. Compared to previous problem-specific methods, InstSpecHH reduces the average optimality gap by 6.06\% for OBPP and 0.66\% for CVRP. These results highlight the potential of instance-aware automatic heuristic design to further enhance solution quality.

Alvin Chan, Yew-Soon Ong, Clement Tan

Model robustness is vital for the reliable deployment of machine learning models in real-world applications. Recent studies have shown that data augmentation can result in model over-relying on features in the low-frequency domain, sacrificing performance against low-frequency corruptions, highlighting a connection between frequency and robustness. Here, we take one step further to more directly study the frequency bias of a model through the lens of its Jacobians and its implication to model robustness. To achieve this, we propose Jacobian frequency regularization for models' Jacobians to have a larger ratio of low-frequency components. Through experiments on four image datasets, we show that biasing classifiers towards low (high)-frequency components can bring performance gain against high (low)-frequency corruption and adversarial perturbation, albeit with a tradeoff in performance for low (high)-frequency corruption. Our approach elucidates a more direct connection between the frequency bias and robustness of deep learning models.

Nick Zhang, Abhishek Gupta, Zefeng Chen et al.

Studies have shown evolution strategies (ES) to be a promising approach for reinforcement learning (RL) with deep neural networks. However, the issue of high sample complexity persists in applications of ES to deep RL over long horizons. This paper is the first to address the shortcoming of today's methods via a novel neuroevolutionary multitasking (NuEMT) algorithm, designed to transfer information from a set of auxiliary tasks (of short episode length) to the target (full length) RL task at hand. The auxiliary tasks, extracted from the target, allow an agent to update and quickly evaluate policies on shorter time horizons. The evolved skills are then transferred to guide the longer and harder task towards an optimal policy. We demonstrate that the NuEMT algorithm achieves data-efficient evolutionary RL, reducing expensive agent-environment interaction data requirements. Our key algorithmic contribution in this setting is to introduce, for the first time, a multitask skills transfer mechanism based on the statistical importance sampling technique. In addition, an adaptive resource allocation strategy is utilized to assign computational resources to auxiliary tasks based on their gleaned usefulness. Experiments on a range of continuous control tasks from the OpenAI Gym confirm that our proposed algorithm is efficient compared to recent ES baselines.

Zhenghua Chen, Min Wu, Alvin Chan et al.

Artificial Intelligence (AI) is a fast-growing research and development (R&D) discipline which is attracting increasing attention because of its promises to bring vast benefits for consumers and businesses, with considerable benefits promised in productivity growth and innovation. To date it has reported significant accomplishments in many areas that have been deemed as challenging for machines, ranging from computer vision, natural language processing, audio analysis to smart sensing and many others. The technical trend in realizing the successes has been towards increasing complex and large size AI models so as to solve more complex problems at superior performance and robustness. This rapid progress, however, has taken place at the expense of substantial environmental costs and resources. Besides, debates on the societal impacts of AI, such as fairness, safety and privacy, have continued to grow in intensity. These issues have presented major concerns pertaining to the sustainable development of AI. In this work, we review major trends in machine learning approaches that can address the sustainability problem of AI. Specifically, we examine emerging AI methodologies and algorithms for addressing the sustainability issue of AI in two major aspects, i.e., environmental sustainability and social sustainability of AI. We will also highlight the major limitations of existing studies and propose potential research challenges and directions for the development of next generation of sustainable AI techniques. We believe that this technical review can help to promote a sustainable development of AI R&D activities for the research community.

Jinze Wang, Lu Zhang, Zhu Sun et al.

Most existing point-of-interest (POI) recommenders aim to capture user preference by employing city-level user historical check-ins, thus facilitating users' exploration of the city. However, the scarcity of city-level user check-ins brings a significant challenge to user preference learning. Although prior studies attempt to mitigate this challenge by exploiting various context information, e.g., spatio-temporal information, they ignore to transfer the knowledge (i.e., common behavioral pattern) from other relevant cities (i.e., auxiliary cities). In this paper, we investigate the effect of knowledge distilled from auxiliary cities and thus propose a novel Meta-learning Enhanced next POI Recommendation framework (MERec). The MERec leverages the correlation of check-in behaviors among various cities into the meta-learning paradigm to help infer user preference in the target city, by holding the principle of "paying more attention to more correlated knowledge". Particularly, a city-level correlation strategy is devised to attentively capture common patterns among cities, so as to transfer more relevant knowledge from more correlated cities. Extensive experiments verify the superiority of the proposed MERec against state-of-the-art algorithms.

Tiantian He, Haicang Zhou, Yew-Soon Ong et al.

Graph attention networks (GATs) are powerful tools for analyzing graph data from various real-world scenarios. To learn representations for downstream tasks, GATs generally attend to all neighbors of the central node when aggregating the features. In this paper, we show that a large portion of the neighbors are irrelevant to the central nodes in many real-world graphs, and can be excluded from neighbor aggregation. Taking the cue, we present Selective Attention (SA) and a series of novel attention mechanisms for graph neural networks (GNNs). SA leverages diverse forms of learnable node-node dissimilarity to acquire the scope of attention for each node, from which irrelevant neighbors are excluded. We further propose Graph selective attention networks (SATs) to learn representations from the highly correlated node features identified and investigated by different SA mechanisms. Lastly, theoretical analysis on the expressive power of the proposed SATs and a comprehensive empirical study of the SATs on challenging real-world datasets against state-of-the-art GNNs are presented to demonstrate the effectiveness of SATs.

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.

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.

Bohao Qu, Xiaofeng Cao, Jielong Yang et al.

Markov Decision Process (MDP) presents a mathematical framework to formulate the learning processes of agents in reinforcement learning. MDP is limited by the Markovian assumption that a reward only depends on the immediate state and action. However, a reward sometimes depends on the history of states and actions, which may result in the decision process in a non-Markovian environment. In such environments, agents receive rewards via temporally-extended behaviors sparsely, and the learned policies may be similar. This leads the agents acquired with similar policies generally overfit to the given task and can not quickly adapt to perturbations of environments. To resolve this problem, this paper tries to learn the diverse policies from the history of state-action pairs under a non-Markovian environment, in which a policy dispersion scheme is designed for seeking diverse policy representation. Specifically, we first adopt a transformer-based method to learn policy embeddings. Then, we stack the policy embeddings to construct a dispersion matrix to induce a set of diverse policies. Finally, we prove that if the dispersion matrix is positive definite, the dispersed embeddings can effectively enlarge the disagreements across policies, yielding a diverse expression for the original policy embedding distribution. Experimental results show that this dispersion scheme can obtain more expressive diverse policies, which then derive more robust performance than recent learning baselines under various learning environments.

Suryadi, Yew-Soon Ong, Lock Yue Chew

Granger causality is a commonly used method for uncovering information flow and dependencies in a time series. Here we introduce JGC (Jacobian Granger Causality), a neural network-based approach to Granger causality using the Jacobian as a measure of variable importance, and propose a thresholding procedure for inferring Granger causal variables using this measure. The resulting approach performs consistently well compared to other approaches in identifying Granger causal variables, the associated time lags, as well as interaction signs. Lastly, through the inclusion of a time variable, we show that this approach is able to learn the temporal dependencies for nonstationary systems whose Granger causal structures change in time.

Tingyang Wei, Jiao Liu, Abhishek Gupta et al.

Many real-world applications require solving families of expensive multi-objective optimization problems~(EMOPs) under varying operational conditions. This gives rise to parametric expensive multi-objective optimization problems (P-EMOPs) where each task parameter defines a distinct optimization instance. Current multi-objective Bayesian optimization methods have been widely used for finding finite sets of Pareto optimal solutions for individual tasks. However, P-EMOPs present a fundamental challenge: the continuous task parameter space can contain infinite distinct problems, each requiring separate expensive evaluations. This demands learning an inverse model that can directly predict optimized solutions for any task-preference query without expensive re-evaluation. This paper introduces the first parametric multi-objective Bayesian optimizer that learns this inverse model by alternating between (1) acquisition-driven search leveraging inter-task synergies and (2) generative solution sampling via conditional generative models. This approach enables efficient optimization across related tasks and finally achieves direct solution prediction for unseen parameterized EMOPs without additional expensive evaluations. We theoretically justify the faster convergence by leveraging inter-task synergies through task-aware Gaussian processes. Meanwhile, empirical studies in synthetic and real-world benchmarks further verify the effectiveness of our alternating framework.

Ben Cao, Tiantian He, Xue Li et al.

In this paper, we present Reed-Solomon coded single-stranded representation learning (RSRL), a novel end-to-end model for learning representations for multi-modal lossless DNA storage. In contrast to existing learning-based methods, the proposed RSRL is inspired by both error-correction codec and structural biology. Specifically, RSRL first learns the representations for the subsequent storage from the binary data transformed by the Reed-Solomon codec. Then, the representations are masked by an RS-code-informed mask to focus on correcting the burst errors occurring in the learning process. With the decoded representations with error corrections, a novel biologically stabilized loss is formulated to regularize the data representations to possess stable single-stranded structures. By incorporating these novel strategies, the proposed RSRL can learn highly durable, dense, and lossless representations for the subsequent storage tasks into DNA sequences. The proposed RSRL has been compared with a number of strong baselines in real-world tasks of multi-modal data storage. The experimental results obtained demonstrate that RSRL can store diverse types of data with much higher information density and durability but much lower error rates.

Jiawen Zhu, Yew-Soon Ong, Chunhua Shen et al.

Current zero-shot anomaly detection (ZSAD) methods show remarkable success in prompting large pre-trained vision-language models to detect anomalies in a target dataset without using any dataset-specific training or demonstration. However, these methods often focus on crafting/learning prompts that capture only coarse-grained semantics of abnormality, e.g., high-level semantics like "damaged", "imperfect", or "defective" objects. They therefore have limited capability in recognizing diverse abnormality details that deviate from these general abnormal patterns in various ways. To address this limitation, we propose FAPrompt, a novel framework designed to learn Fine-grained Abnormality Prompts for accurate ZSAD. To this end, a novel Compound Abnormality Prompt learning (CAP) module is introduced in FAPrompt to learn a set of complementary, decomposed abnormality prompts, where abnormality prompts are enforced to model diverse abnormal patterns derived from the same normality semantic. On the other hand, the fine-grained abnormality patterns can be different from one dataset to another. To enhance the cross-dataset generalization, another novel module, namely Data-dependent Abnormality Prior learning (DAP), is introduced in FAPrompt to learn a sample-wise abnormality prior from abnormal features of each test image to dynamically adapt the abnormality prompts to individual test images. Comprehensive experiments on 19 real-world datasets, covering both industrial defects and medical anomalies, demonstrate that FAPrompt substantially outperforms state-of-the-art methods in both image- and pixel-level ZSAD tasks. Code is available at https://github.com/mala-lab/FAPrompt.

Kim Yong Tan, Yueming Lyu, Ivor Tsang et al.

Guided diffusion-model generation is a promising direction for customizing the generation process of a pre-trained diffusion model to address specific downstream tasks. Existing guided diffusion models either rely on training the guidance model with pre-collected datasets or require the objective functions to be differentiable. However, for most real-world tasks, offline datasets are often unavailable, and their objective functions are often not differentiable, such as image generation with human preferences, molecular generation for drug discovery, and material design. Thus, we need an $\textbf{online}$ algorithm capable of collecting data during runtime and supporting a $\textbf{black-box}$ objective function. Moreover, the $\textbf{query efficiency}$ of the algorithm is also critical because the objective evaluation of the query is often expensive in real-world scenarios. In this work, we propose a novel and simple algorithm, $\textbf{Fast Direct}$, for query-efficient online black-box target generation. Our Fast Direct builds a pseudo-target on the data manifold to update the noise sequence of the diffusion model with a universal direction, which is promising to perform query-efficient guided generation. Extensive experiments on twelve high-resolution ($\small {1024 \times 1024}$) image target generation tasks and six 3D-molecule target generation tasks show $\textbf{6}\times$ up to $\textbf{10}\times$ query efficiency improvement and $\textbf{11}\times$ up to $\textbf{44}\times$ query efficiency improvement, respectively. Our implementation is publicly available at: https://github.com/kimyong95/guide-stable-diffusion/tree/fast-direct

Xuanqian Wang, Jing Li, Ivor W. Tsang et al.

Due to privacy and security concerns, recent advancements in group fairness advocate for model training regardless of demographic information. However, most methods still require prior knowledge of demographics. In this study, we explore the potential for achieving fairness without compromising its utility when no prior demographics are provided to the training set, namely \emph{harmless Rawlsian fairness}. We ascertain that such a fairness requirement with no prior demographic information essential promotes training losses to exhibit a Dirac delta distribution. To this end, we propose a simple but effective method named VFair to minimize the variance of training losses inside the optimal set of empirical losses. This problem is then optimized by a tailored dynamic update approach that operates in both loss and gradient dimensions, directing the model towards relatively fairer solutions while preserving its intact utility. Our experimental findings indicate that regression tasks, which are relatively unexplored from literature, can achieve significant fairness improvement through VFair regardless of any prior, whereas classification tasks usually do not because of their quantized utility measurements. The implementation of our method is publicly available at \url{https://github.com/wxqpxw/VFair}.

Jianyao Xu, Qingshan Xu, Xinyao Liao et al.

Neural surfaces learning has shown impressive performance in multi-view surface reconstruction. However, most existing methods use large multilayer perceptrons (MLPs) to train their models from scratch, resulting in hours of training for a single scene. Recently, how to accelerate the neural surfaces learning has received a lot of attention and remains an open problem. In this work, we propose a prior-based residual learning paradigm for fast multi-view neural surface reconstruction. This paradigm consists of two optimization stages. In the first stage, we propose to leverage generalization models to generate a basis signed distance function (SDF) field. This initial field can be quickly obtained by fusing multiple local SDF fields produced by generalization models. This provides a coarse global geometry prior. Based on this prior, in the second stage, a fast residual learning strategy based on hash-encoding networks is proposed to encode an offset SDF field for the basis SDF field. Moreover, we introduce a prior-guided sampling scheme to help the residual learning stage converge better, and thus recover finer structures. With our designed paradigm, experimental results show that our method only takes about 3 minutes to reconstruct the surface of a single scene, while achieving competitive surface quality. Our code will be released upon publication.

Qingshan Xu, Jiao Liu, Shangshu Yu et al.

In this paper, we aim to create physical digital twins of deformable objects under interaction. Existing methods focus more on the physical learning of current state modeling, but generalize worse to future prediction. This is because existing methods ignore the intrinsic physical properties of deformable objects, resulting in the limited physical learning in the current state modeling. To address this, we present NeuSpring, a neural spring field for the reconstruction and simulation of deformable objects from videos. Built upon spring-mass models for realistic physical simulation, our method consists of two major innovations: 1) a piecewise topology solution that efficiently models multi-region spring connection topologies using zero-order optimization, which considers the material heterogeneity of real-world objects. 2) a neural spring field that represents spring physical properties across different frames using a canonical coordinate-based neural network, which effectively leverages the spatial associativity of springs for physical learning. Experiments on real-world datasets demonstrate that our NeuSping achieves superior reconstruction and simulation performance for current state modeling and future prediction, with Chamfer distance improved by 20% and 25%, respectively.

Jian Cheng Wong, Chin Chun Ooi, Abhishek Gupta et al.

Physics-informed neural networks (PINNs) are at the forefront of scientific machine learning, making possible the creation of machine intelligence that is cognizant of physical laws and able to accurately simulate them. However, today's PINNs are often trained for a single physics task and require computationally expensive re-training for each new task, even for tasks from similar physics domains. To address this limitation, this paper proposes a pioneering approach to advance the generalizability of PINNs through the framework of Baldwinian evolution. Drawing inspiration from the neurodevelopment of precocial species that have evolved to learn, predict and react quickly to their environment, we envision PINNs that are pre-wired with connection strengths inducing strong biases towards efficient learning of physics. A novel two-stage stochastic programming formulation coupling evolutionary selection pressure (based on proficiency over a distribution of physics tasks) with lifetime learning (to specialize on a sampled subset of those tasks) is proposed to instantiate the Baldwin effect. The evolved Baldwinian-PINNs demonstrate fast and physics-compliant prediction capabilities across a range of empirically challenging problem instances with more than an order of magnitude improvement in prediction accuracy at a fraction of the computation cost compared to state-of-the-art gradient-based meta-learning methods. For example, when solving the diffusion-reaction equation, a 70x improvement in accuracy was obtained while taking 700x less computational time. This paper thus marks a leap forward in the meta-learning of PINNs as generalizable physics solvers. Sample codes are available at https://github.com/chiuph/Baldwinian-PINN.

Yuqi Li, Junhao Dong, Chuanguang Yang et al.

Vision-Language Models (VLMs) are increasingly deployed in safety-critical applications, making their adversarial robustness a crucial concern. While adversarial knowledge distillation has shown promise in transferring robustness from teacher to student models, traditional single-teacher approaches suffer from limited knowledge diversity, slow convergence, and difficulty in balancing robustness and accuracy. To address these challenges, we propose MMT-ARD: a Multimodal Multi-Teacher Adversarial Robust Distillation framework. Our key innovation is a dual-teacher knowledge fusion architecture that collaboratively optimizes clean feature preservation and robust feature enhancement. To better handle challenging adversarial examples, we introduce a dynamic weight allocation strategy based on teacher confidence, enabling adaptive focus on harder samples. Moreover, to mitigate bias among teachers, we design an adaptive sigmoid-based weighting function that balances the strength of knowledge transfer across modalities. Extensive experiments on ImageNet and zero-shot benchmarks demonstrate that MMT-ARD improves robust accuracy by +4.32% and zero-shot accuracy by +3.5% on the ViT-B-32 model, while achieving a 2.3x increase in training efficiency over traditional single-teacher methods. These results highlight the effectiveness and scalability of MMT-ARD in enhancing the adversarial robustness of multimodal large models. Our codes are available at https://github.com/itsnotacie/MMT-ARD.

Tingting Chen, Beibei Lin, Zifeng Yuan et al.

As language models are increasingly used in scientific workflows, evaluating their ability to propose sets of explanations-not just a single correct answer-becomes critical. Many scientific problems are underdetermined: multiple, mechanistically distinct hypotheses are consistent with the same observations. We introduce HypoSpace, a diagnostic suite that treats LLMs as samplers of finite hypothesis sets and measures three complementary indicators: Validity (precision of proposals consistent with observations), Uniqueness (non-redundancy among proposals), and Recovery (coverage of the enumerated admissible set). We instantiate HypoSpace in three structured domains with deterministic validators and exactly enumerated hypothesis spaces: (i) causal graphs from perturbations, (ii) gravity-constrained 3D voxel reconstruction from top-down projections, and (iii) Boolean genetic interactions. Across instruction-tuned and reasoning-focused models, Validity often remains high while Uniqueness and Recovery degrade as the admissible space grows, revealing mode collapse that is invisible to correctness-only metrics. HypoSpace offers a controlled probe-rather than a leaderboard-for methods that explicitly explore and cover admissible explanation spaces. Code is available at: https://github.com/CTT-Pavilion/_HypoSpace.

Fangjinhua Wang, Qingshan Xu, Yew-Soon Ong et al.

To reconstruct the 3D geometry from calibrated images, learning-based multi-view stereo (MVS) methods typically perform multi-view depth estimation and then fuse depth maps into a mesh or point cloud. To improve the computational efficiency, many methods initialize a coarse depth map and then gradually refine it in higher resolutions. Recently, diffusion models achieve great success in generation tasks. Starting from a random noise, diffusion models gradually recover the sample with an iterative denoising process. In this paper, we propose a novel MVS framework, which introduces diffusion models in MVS. Specifically, we formulate depth refinement as a conditional diffusion process. Considering the discriminative characteristic of depth estimation, we design a condition encoder to guide the diffusion process. To improve efficiency, we propose a novel diffusion network combining lightweight 2D U-Net and convolutional GRU. Moreover, we propose a novel confidence-based sampling strategy to adaptively sample depth hypotheses based on the confidence estimated by diffusion model. Based on our novel MVS framework, we propose two novel MVS methods, DiffMVS and CasDiffMVS. DiffMVS achieves competitive performance with state-of-the-art efficiency in run-time and GPU memory. CasDiffMVS achieves state-of-the-art performance on DTU, Tanks & Temples and ETH3D. Code is available at: https://github.com/cvg/diffmvs.

Mengmeng Chen, Xiaohu Wu, Qiqi Liu et al.

Multi-objective optimization (MOO) exists extensively in machine learning, and aims to find a set of Pareto-optimal solutions, called the Pareto front, e.g., it is fundamental for multiple avenues of research in federated learning (FL). Pareto-Front Learning (PFL) is a powerful method implemented using Hypernetworks (PHNs) to approximate the Pareto front. This method enables the acquisition of a mapping function from a given preference vector to the solutions on the Pareto front. However, most existing PFL approaches still face two challenges: (a) sampling rays in high-dimensional spaces; (b) failing to cover the entire Pareto Front which has a convex shape. Here, we introduce a novel PFL framework, called as PHN-HVVS, which decomposes the design space into Voronoi grids and deploys a genetic algorithm (GA) for Voronoi grid partitioning within high-dimensional space. We put forward a new loss function, which effectively contributes to more extensive coverage of the resultant Pareto front and maximizes the HV Indicator. Experimental results on multiple MOO machine learning tasks demonstrate that PHN-HVVS outperforms the baselines significantly in generating Pareto front. Also, we illustrate that PHN-HVVS advances the methodologies of several recent problems in the FL field. The code is available at https://github.com/buptcmm/phnhvvs}{https://github.com/buptcmm/phnhvvs.

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.

Zhu Sun, Hongyang Liu, Xinghua Qu et al.

Intent-aware session recommendation (ISR) is pivotal in discerning user intents within sessions for precise predictions. Traditional approaches, however, face limitations due to their presumption of a uniform number of intents across all sessions. This assumption overlooks the dynamic nature of user sessions, where the number and type of intentions can significantly vary. In addition, these methods typically operate in latent spaces, thus hinder the model's transparency.Addressing these challenges, we introduce a novel ISR approach, utilizing the advanced reasoning capabilities of large language models (LLMs). First, this approach begins by generating an initial prompt that guides LLMs to predict the next item in a session, based on the varied intents manifested in user sessions. Then, to refine this process, we introduce an innovative prompt optimization mechanism that iteratively self-reflects and adjusts prompts. Furthermore, our prompt selection module, built upon the LLMs' broad adaptability, swiftly selects the most optimized prompts across diverse domains. This new paradigm empowers LLMs to discern diverse user intents at a semantic level, leading to more accurate and interpretable session recommendations. Our extensive experiments on three real-world datasets demonstrate the effectiveness of our method, marking a significant advancement in ISR systems.

Shanshan Feng, Haoming Lyu, Caishun Chen et al.

Next Point-of-interest (POI) recommendation provides valuable suggestions for users to explore their surrounding environment. Existing studies rely on building recommendation models from large-scale users' check-in data, which is task-specific and needs extensive computational resources. Recently, the pretrained large language models (LLMs) have achieved significant advancements in various NLP tasks and have also been investigated for recommendation scenarios. However, the generalization abilities of LLMs still are unexplored to address the next POI recommendations, where users' geographical movement patterns should be extracted. Although there are studies that leverage LLMs for next-item recommendations, they fail to consider the geographical influence and sequential transitions. Hence, they cannot effectively solve the next POI recommendation task. To this end, we design novel prompting strategies and conduct empirical studies to assess the capability of LLMs, e.g., ChatGPT, for predicting a user's next check-in. Specifically, we consider several essential factors in human movement behaviors, including user geographical preference, spatial distance, and sequential transitions, and formulate the recommendation task as a ranking problem. Through extensive experiments on two widely used real-world datasets, we derive several key findings. Empirical evaluations demonstrate that LLMs have promising zero-shot recommendation abilities and can provide accurate and reasonable predictions. We also reveal that LLMs cannot accurately comprehend geographical context information and are sensitive to the order of presentation of candidate POIs, which shows the limitations of LLMs and necessitates further research on robust human mobility reasoning mechanisms.

Zhu Sun, Kaidong Feng, Jie Yang et al.

Most existing bundle generation approaches fall short in generating fixed-size bundles. Furthermore, they often neglect the underlying user intents reflected by the bundles in the generation process, resulting in less intelligible bundles. This paper addresses these limitations through the exploration of two interrelated tasks, i.e., personalized bundle generation and the underlying intent inference, based on different user sessions. Inspired by the reasoning capabilities of large language models (LLMs), we propose an adaptive in-context learning paradigm, which allows LLMs to draw tailored lessons from related sessions as demonstrations, enhancing the performance on target sessions. Specifically, we first employ retrieval augmented generation to identify nearest neighbor sessions, and then carefully design prompts to guide LLMs in executing both tasks on these neighbor sessions. To tackle reliability and hallucination challenges, we further introduce (1) a self-correction strategy promoting mutual improvements of the two tasks without supervision signals and (2) an auto-feedback mechanism for adaptive supervision based on the distinct mistakes made by LLMs on different neighbor sessions. Thereby, the target session can gain customized lessons for improved performance by observing the demonstrations of its neighbor sessions. Experiments on three real-world datasets demonstrate the effectiveness of our proposed method.

Qingshan Xu, Xuanyu Yi, Jianyao Xu et al.

Novel view synthesis with sparse inputs poses great challenges to Neural Radiance Field (NeRF). Recent works demonstrate that the frequency regularization of Positional Encoding (PE) can achieve promising results for few-shot NeRF. In this work, we reveal that there exists an inconsistency between the frequency regularization of PE and rendering loss. This prevents few-shot NeRF from synthesizing higher-quality novel views. To mitigate this inconsistency, we propose Adaptive Rendering loss regularization for few-shot NeRF, dubbed AR-NeRF. Specifically, we present a two-phase rendering supervision and an adaptive rendering loss weight learning strategy to align the frequency relationship between PE and 2D-pixel supervision. In this way, AR-NeRF can learn global structures better in the early training phase and adaptively learn local details throughout the training process. Extensive experiments show that our AR-NeRF achieves state-of-the-art performance on different datasets, including object-level and complex scenes.

Ning Lu, Shengcai Liu, Jiahao Wu et al.

Large language models (LLMs) have shown great potential as general-purpose AI assistants across various domains. To fully leverage this potential in specific applications, many companies provide fine-tuning API services, enabling users to upload their own data for LLM customization. However, fine-tuning services introduce a new safety threat: user-uploaded data, whether harmful or benign, can break the model's alignment, leading to unsafe outputs. Moreover, existing defense methods struggle to address the diversity of fine-tuning datasets (e.g., varying sizes, tasks), often sacrificing utility for safety or vice versa. To address this issue, we propose Safe Delta, a safety-aware post-training defense method that adjusts the delta parameters (i.e., the parameter change before and after fine-tuning). Specifically, Safe Delta estimates the safety degradation, selects delta parameters to maximize utility while limiting overall safety loss, and applies a safety compensation vector to mitigate residual safety loss. Through extensive experiments on four diverse datasets with varying settings, our approach consistently preserves safety while ensuring that the utility gain from benign datasets remains unaffected.

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.

Zhendong Guo, Yew-Soon Ong, Tiantian He et al.

Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem of BO can attribute to the poor surrogate accuracy of the trained Gaussian process (GP), particularly that in the regions where the optimal solutions locate. Hence, we propose to build multiple GP models instead of a single GP surrogate to complement each other and thus resolving the suboptimal problem of BO. Nevertheless, according to the bias-variance tradeoff equation, the individual prediction errors can increase when increasing the diversity of models, which may lead to even worse overall surrogate accuracy. On the other hand, based on the theory of Rademacher complexity, it has been proved that exploiting the agreement of models on unlabeled information can help to reduce the complexity of the hypothesis space, and therefore achieving the required surrogate accuracy with fewer samples. Such value of model agreement has been extensively demonstrated for co-training style algorithms to boost model accuracy with a small portion of samples. Inspired by the above, we propose a novel BO algorithm labeled as co-learning BO (CLBO), which exploits both model diversity and agreement on unlabeled information to improve the overall surrogate accuracy with limited samples, and therefore achieving more efficient global optimization. Through tests on five numerical toy problems and three engineering benchmarks, the effectiveness of proposed CLBO has been well demonstrated.

Shanli Tan, Hao Cheng, Xiaohu Wu et al.

Federated learning (FL) provides a privacy-preserving approach for collaborative training of machine learning models. Given the potential data heterogeneity, it is crucial to select appropriate collaborators for each FL participant (FL-PT) based on data complementarity. Recent studies have addressed this challenge. Similarly, it is imperative to consider the inter-individual relationships among FL-PTs where some FL-PTs engage in competition. Although FL literature has acknowledged the significance of this scenario, practical methods for establishing FL ecosystems remain largely unexplored. In this paper, we extend a principle from the balance theory, namely ``the friend of my enemy is my enemy'', to ensure the absence of conflicting interests within an FL ecosystem. The extended principle and the resulting problem are formulated via graph theory and integer linear programming. A polynomial-time algorithm is proposed to determine the collaborators of each FL-PT. The solution guarantees high scalability, allowing even competing FL-PTs to smoothly join the ecosystem without conflict of interest. The proposed framework jointly considers competition and data heterogeneity. Extensive experiments on real-world and synthetic data demonstrate its efficacy compared to five alternative approaches, and its ability to establish efficient collaboration networks among FL-PTs.

Zhao Wei, Chin Chun Ooi, Abhishek Gupta et al.

This paper presents an evolvable conditional diffusion method such that black-box, non-differentiable multi-physics models, as are common in domains like computational fluid dynamics and electromagnetics, can be effectively used for guiding the generative process to facilitate autonomous scientific discovery. We formulate the guidance as an optimization problem where one optimizes for a desired fitness function through updates to the descriptive statistic for the denoising distribution, and derive an evolution-guided approach from first principles through the lens of probabilistic evolution. Interestingly, the final derived update algorithm is analogous to the update as per common gradient-based guided diffusion models, but without ever having to compute any derivatives. We validate our proposed evolvable diffusion algorithm in two AI for Science scenarios: the automated design of fluidic topology and meta-surface. Results demonstrate that this method effectively generates designs that better satisfy specific optimization objectives without reliance on differentiable proxies, providing an effective means of guidance-based diffusion that can capitalize on the wealth of black-box, non-differentiable multi-physics numerical models common across Science.

Yingpeng Du, Zhu Sun, Ziyan Wang et al.

Large language models (LLMs) provide a promising way for accurate session-based recommendation (SBR), but they demand substantial computational time and memory. Knowledge distillation (KD)-based methods can alleviate these issues by transferring the knowledge to a small student, which trains a student based on the predictions of a cumbersome teacher. However, these methods encounter difficulties for \textit{LLM-based KD in SBR}. 1) It is expensive to make LLMs predict for all instances in KD. 2) LLMs may make ineffective predictions for some instances in KD, e.g., incorrect predictions for hard instances or similar predictions as existing recommenders for easy instances. In this paper, we propose an active LLM-based KD method in SBR, contributing to sustainable AI. To efficiently distill knowledge from LLMs with limited cost, we propose to extract a small proportion of instances predicted by LLMs. Meanwhile, for a more effective distillation, we propose an active learning strategy to extract instances that are as effective as possible for KD from a theoretical view. Specifically, we first formulate gains based on potential effects (e.g., effective, similar, and incorrect predictions by LLMs) and difficulties (e.g., easy or hard to fit) of instances for KD. Then, we propose to maximize the minimal gains of distillation to find the optimal selection policy for active learning, which can largely avoid extracting ineffective instances in KD. Experiments on real-world datasets show that our method significantly outperforms state-of-the-art methods for SBR.

Qing Lin, Jingfeng Zhang, Yew-Soon Ong et al.

Despite the rapid progress in image generation, emotional image editing remains under-explored. The semantics, context, and structure of an image can evoke emotional responses, making emotional image editing techniques valuable for various real-world applications, including treatment of psychological disorders, commercialization of products, and artistic design. First, we present a novel challenge of emotion-evoked image generation, aiming to synthesize images that evoke target emotions while retaining the semantics and structures of the original scenes. To address this challenge, we propose a diffusion model capable of effectively understanding and editing source images to convey desired emotions and sentiments. Moreover, due to the lack of emotion editing datasets, we provide a unique dataset consisting of 340,000 pairs of images and their emotion annotations. Furthermore, we conduct human psychophysics experiments and introduce a new evaluation metric to systematically benchmark all the methods. Experimental results demonstrate that our method surpasses all competitive baselines. Our diffusion model is capable of identifying emotional cues from original images, editing images that elicit desired emotions, and meanwhile, preserving the semantic structure of the original images. All code, model, and dataset are available at GitHub.

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.

Junhao Dong, Xinghua Qu, Z. Jane Wang et al.

Despite remarkable achievements in deep learning across various domains, its inherent vulnerability to adversarial examples still remains a critical concern for practical deployment. Adversarial training has emerged as one of the most effective defensive techniques for improving model robustness against such malicious inputs. However, existing adversarial training schemes often lead to limited generalization ability against underlying adversaries with diversity due to their overreliance on a point-by-point augmentation strategy by mapping each clean example to its adversarial counterpart during training. In addition, adversarial examples can induce significant disruptions in the statistical information w.r.t. the target model, thereby introducing substantial uncertainty and challenges to modeling the distribution of adversarial examples. To circumvent these issues, in this paper, we propose a novel uncertainty-aware distributional adversarial training method, which enforces adversary modeling by leveraging both the statistical information of adversarial examples and its corresponding uncertainty estimation, with the goal of augmenting the diversity of adversaries. Considering the potentially negative impact induced by aligning adversaries to misclassified clean examples, we also refine the alignment reference based on the statistical proximity to clean examples during adversarial training, thereby reframing adversarial training within a distribution-to-distribution matching framework interacted between the clean and adversarial domains. Furthermore, we design an introspective gradient alignment approach via matching input gradients between these domains without introducing external models. Extensive experiments across four benchmark datasets and various network architectures demonstrate that our approach achieves state-of-the-art adversarial robustness and maintains natural performance.

Melvin Wong, Yueming Lyu, Thiago Rios et al.

The emergence of generative artificial intelligence (GenAI) and large language models (LLMs) has revolutionized the landscape of digital content creation in different modalities. However, its potential use in Physical AI for engineering design, where the production of physically viable artifacts is paramount, remains vastly underexplored. The absence of physical knowledge in existing LLM-to-3D models often results in outputs detached from real-world physical constraints. To address this gap, we introduce LLM-to-Phy3D, a physically conform online 3D object generation that enables existing LLM-to-3D models to produce physically conforming 3D objects on the fly. LLM-to-Phy3D introduces a novel online black-box refinement loop that empowers large language models (LLMs) through synergistic visual and physics-based evaluations. By delivering directional feedback in an iterative refinement process, LLM-to-Phy3D actively drives the discovery of prompts that yield 3D artifacts with enhanced physical performance and greater geometric novelty relative to reference objects, marking a substantial contribution to AI-driven generative design. Systematic evaluations of LLM-to-Phy3D, supported by ablation studies in vehicle design optimization, reveal various LLM improvements gained by 4.5% to 106.7% in producing physically conform target domain 3D designs over conventional LLM-to-3D models. The encouraging results suggest the potential general use of LLM-to-Phy3D in Physical AI for scientific and engineering applications.

Chengqi Zheng, Jianda Chen, Yueming Lyu et al.

Despite the promise of autonomous agentic reasoning, existing workflow generation methods frequently produce fragile, unexecutable plans due to unconstrained LLM-driven construction. We introduce MermaidFlow, a framework that redefines the agentic search space through safety-constrained graph evolution. At its core, MermaidFlow represent workflows as a verifiable intermediate representation using Mermaid, a structured and human-interpretable graph language. We formulate domain-aware evolutionary operators, i.e., crossover, mutation, insertion, and deletion, to preserve semantic correctness while promoting structural diversity, enabling efficient exploration of a high-quality, statically verifiable workflow space. Without modifying task settings or evaluation protocols, MermaidFlow achieves consistent improvements in success rates and faster convergence to executable plans on the agent reasoning benchmark. The experimental results demonstrate that safety-constrained graph evolution offers a scalable, modular foundation for robust and interpretable agentic reasoning systems.

Junxiao Yang, Jinzhe Tu, Haoran Liu et al. · tsinghua

Recent advances in Large Reasoning Models (LRMs) have shown impressive capabilities in mathematical and logical reasoning. However, current LRMs rarely admit ignorance or respond with "I don't know". Instead, they often produce incorrect answers while showing undue confidence, raising concerns about their factual reliability. In this work, we identify two pathological reasoning patterns characterized by overthinking that contribute to the overconfident and incorrect answers: last-minute guessing and second-thought spiraling. To address these issues, we propose BARREL-a novel framework that promotes concise and boundary-aware factual reasoning. Our experiments show that BARREL-training increases the reliability of DeepSeek-R1-Distill-Llama-8B from 39.33% to 61.48%, while still achieving accuracy comparable to models finetuned on reasoning data generated by R1. These results demonstrate that our pilot study is inspiring to build more reliable and factual System 2 LRMs.

Hongxu Wang, Zhu Sun, Yingpeng Du et al.

Recommender systems (RSs) play a crucial role in shaping our digital interactions, influencing how we access and engage with information across various domains. Traditional research has predominantly centered on maximizing recommendation accuracy, often leading to unintended side effects such as echo chambers and constrained user experiences. Drawing inspiration from autonomous driving, we introduce a novel framework that categorizes RS autonomy into five distinct levels, ranging from basic rule-based accuracy-driven systems to behavior-aware, uncertain multi-objective RSs - where users may have varying needs, such as accuracy, diversity, and fairness. In response, we propose an approach that dynamically identifies and optimizes multiple objectives based on individual user preferences, fostering more ethical and intelligent user-centric recommendations. To navigate the uncertainty inherent in multi-objective RSs, we develop a Bayesian optimization (BO) framework that captures personalized trade-offs between different objectives while accounting for their uncertain interdependencies. Furthermore, we introduce an orthogonal meta-learning paradigm to enhance BO efficiency and effectiveness by leveraging shared knowledge across similar tasks and mitigating conflicts among objectives through the discovery of orthogonal information. Finally, extensive empirical evaluations demonstrate the effectiveness of our method in optimizing uncertain multi-objectives for individual users, paving the way for more adaptive and user-focused RSs.

Qingshan Xu, Jiequan Cui, Xuanyu Yi et al.

3D Gaussian Splatting (3DGS) has demonstrated impressive Novel View Synthesis (NVS) results in a real-time rendering manner. During training, it relies heavily on the average magnitude of view-space positional gradients to grow Gaussians to reduce rendering loss. However, this average operation smooths the positional gradients from different viewpoints and rendering errors from different pixels, hindering the growth and optimization of many defective Gaussians. This leads to strong spurious artifacts in some areas. To address this problem, we propose Hard Gaussian Splatting, dubbed HGS, which considers multi-view significant positional gradients and rendering errors to grow hard Gaussians that fill the gaps of classical Gaussian Splatting on 3D scenes, thus achieving superior NVS results. In detail, we present positional gradient driven HGS, which leverages multi-view significant positional gradients to uncover hard Gaussians. Moreover, we propose rendering error guided HGS, which identifies noticeable pixel rendering errors and potentially over-large Gaussians to jointly mine hard Gaussians. By growing and optimizing these hard Gaussians, our method helps to resolve blurring and needle-like artifacts. Experiments on various datasets demonstrate that our method achieves state-of-the-art rendering quality while maintaining real-time efficiency.