Statistical Learning
Bi-level Unbalanced Optimal Transport for Partial Domain Adaptation
Chen, Zi-Ying, Ren, Chuan-Xian, Yan, Hong
Partial domain adaptation (PDA) problem requires aligning cross-domain samples while distinguishing the outlier classes for accurate knowledge transfer. The widely used weighting framework tries to address the outlier classes by introducing the reweighed source domain with a similar label distribution to the target domain. However, the empirical modeling of weights can only characterize the sample-wise relations, which leads to insufficient exploration of cluster structures, and the weights could be sensitive to the inaccurate prediction and cause confusion on the outlier classes. To tackle these issues, we propose a Bi-level Unbalanced Optimal Transport (BUOT) model to simultaneously characterize the sample-wise and class-wise relations in a unified transport framework. Specifically, a cooperation mechanism between sample-level and class-level transport is introduced, where the sample-level transport provides essential structure information for the class-level knowledge transfer, while the class-level transport supplies discriminative information for the outlier identification. The bi-level transport plan provides guidance for the alignment process. By incorporating the label-aware transport cost, the local transport structure is ensured and a fast computation formulation is derived to improve the efficiency. Introduction Traditional machine learning usually follows the assumption that training data and test data come from the same distribution. Corresponding author Email address: rchuanx@mail.sysu.edu.cn This distribution discrepancy can degrade the performance of machine learning models when they are deployed in new environments or domains. To overcome this challenge, unsupervised domain adaptation (UDA) [1, 2] has been developed to transfer knowledge from the labeled source domain to the unlabeled target domain, enabling the models trained on the source domain that can generalize well to the target domain. Usually, UDA methods train the model using source domain samples to minimize the source domain classification error and then use appropriate methods to eliminate the cross-domain divergence.
Selective Matching Losses -- Not All Scores Are Created Equal
Shamir, Gil I., Warmuth, Manfred K.
Learning systems match predicted scores to observations over some domain. Often, it is critical to produce accurate predictions in some subset (or region) of the domain, yet less important to accurately predict in other regions. We construct selective matching loss functions by design of increasing link functions over score domains. A matching loss is an integral over the link. A link defines loss sensitivity as function of the score, emphasizing high slope high sensitivity regions over flat ones. Loss asymmetry drives a model and resolves its underspecification to predict better in high sensitivity regions where it is more important, and to distinguish between high and low importance regions. A large variety of selective scalar losses can be designed with scaled and shifted Sigmoid and hyperbolic sine links. Their properties, however, do not extend to multi-class. Applying them per dimension lacks ranking sensitivity that assigns importance according to class score ranking. Utilizing composite Softmax functions, we develop a framework for multidimensional selective losses. We overcome limitations of the standard Softmax function, that is good for classification, but not for distinction between adjacent scores. Selective losses have substantial advantage over traditional losses in applications with more important score regions, including dwell-time prediction, retrieval, ranking with either pointwise, contrastive pairwise, or listwise losses, distillation problems, and fine-tuning alignment of Large Language Models (LLMs).
Re-experiment Smart: a Novel Method to Enhance Data-driven Prediction of Mechanical Properties of Epoxy Polymers
Cui, Wanshan, Jeong, Yejin, Song, Inwook, Kim, Gyuri, Kwon, Minsang, Lee, Donghun
Accurate prediction of polymer material properties through data-driven approaches greatly accelerates novel material development by reducing redundant experiments and trial-and-error processes. To address this limitation, we propose a novel approach to enhance dataset quality efficiently by integrating multi-algorithm outlier detection with selective re-experimentation of unreliable outlier cases. To demonstrate its general applicability, we report the performance improvements across multiple machine learning models, including Elastic Net, SVR, Random Forest, and TPOT, to predict the three key properties. Our method reliably reduces prediction error (RMSE) and significantly improves accuracy with minimal additional experimental work, requiring only about 5% of the dataset to be re-measured. These findings highlight the importance of data quality enhancement in achieving reliable machine learning applications in polymer science and present a scalable strategy for improving predictive reliability in materials science. Introduction Epoxy adhesives are extensively utilized in a wide range of industries, including automotive, aerospace, and civil engineering, due to their robust adhesion to various substrates, exceptional mechanical properties, and high resistance to heat, corrosion, and chemicals 1-4 . Primarily composed of epoxy resin and hardener (curing agent), epoxy adhesives may incorporate additional additives, such as accelerators and fillers, for modification 5 . Epoxy adhesives are formulated by subjecting their compositions to a curing process, which can occur at room temperature, elevated temperature, or through alternative methods such as exposure to UV light 6 .
Dual-Individual Genetic Algorithm: A Dual-Individual Approach for Efficient Training of Multi-Layer Neural Networks
Truong, Tran Thuy Nga, Kim, Jooyong
Abstract: This paper introduces an enhanced Genetic Algorithm technique, which optimizes neural networks for binary image classificatio n tasks, such as cat vs. non - cat classification. The proposed method employs only two individuals for crossover, represented by two parameter sets: Leader and Follower. The Leader focuses on exploitation, representing the primary optimal solution, while the Follower promotes exploration by preserving diversity and avoiding premature convergence. Leader and Follower are modeled as two phases or roles. The key contributions of this work are threefold: (1) a self - adaptive layer dimension mechanism that eliminates the need for manual tuning of layer architectures; (2) generates two parameter sets, leader and follower parameter sets, with 10 layer architect ure configurations (5 for each set), ranked by Pareto dominance and cost post - optimization; and (3) achieved better results compared to gradient - based methods. Experimental results show that the proposed method achieves 99.04% training acc uracy and 80% testing accuracy (cost = 0. 06) on a three - layer network with architecture [12288, 17, 4, 1], higher performance a gradient - based approach that achieves 98% training accuracy and 80% testing accuracy (cost = 0.092) on a four - layer network with architecture [12288, 20, 7, 5, 1]. Reinforcement Learning (RL) is the strategy of learning where an agent learns optimal behaviors by interacting with an environment through trial and error. The agent performs actions, receives rewards or penalties as feedback, and aims to maximize the cumulative reward over time [1] . RL has made exciting progress in domains like game playing (e.g., AlphaGo), robotics, and autonomous systems. However, it still faces challenges, such as sparse rewards [2,3], high - dimensional action spaces [4], and training instability [5] . Genetic Algorithms (GA), inspired by the principles of natural evolution, such as selection, mutation, and reproduction, offer versatile support for RL across multiple stages [6] .
Multimodal Representation Alignment for Cross-modal Information Retrieval
Different machine learning models can represent the same underlying concept in different ways. This variability is particularly valuable for in-the-wild multimodal retrieval, where the objective is to identify the corresponding representation in one modality given another modality as input. This challenge can be effectively framed as a feature alignment problem. For example, given a sentence encoded by a language model, retrieve the most semantically aligned image based on features produced by an image encoder, or vice versa. In this work, we first investigate the geometric relationships between visual and textual embeddings derived from both vision-language models and combined unimodal models. We then align these representations using four standard similarity metrics as well as two learned ones, implemented via neural networks. Our findings indicate that the Wasserstein distance can serve as an informative measure of the modality gap, while cosine similarity consistently outperforms alternative metrics in feature alignment tasks. Furthermore, we observe that conventional architectures such as multilayer perceptrons are insufficient for capturing the complex interactions between image and text representations. Our study offers novel insights and practical considerations for researchers working in multimodal information retrieval, particularly in real-world, cross-modal applications.
Bayesian Inverse Physics for Neuro-Symbolic Robot Learning
Arriaga, Octavio, Adam, Rebecca, Laux, Melvin, Gutzeit, Lisa, Ragni, Marco, Peters, Jan, Kirchner, Frank
Real-world robotic applications, from autonomous exploration to assistive technologies, require adaptive, interpretable, and data-efficient learning paradigms. While deep learning architectures and foundation models have driven significant advances in diverse robotic applications, they remain limited in their ability to operate efficiently and reliably in unknown and dynamic environments. In this position paper, we critically assess these limitations and introduce a conceptual framework for combining data-driven learning with deliberate, structured reasoning. Specifically, we propose leveraging differentiable physics for efficient world modeling, Bayesian inference for uncertainty-aware decision-making, and meta-learning for rapid adaptation to new tasks. By embedding physical symbolic reasoning within neural models, robots could generalize beyond their training data, reason about novel situations, and continuously expand their knowledge. We argue that such hybrid neuro-symbolic architectures are essential for the next generation of autonomous systems, and to this end, we provide a research roadmap to guide and accelerate their development.
Transformers Meet Hyperspectral Imaging: A Comprehensive Study of Models, Challenges and Open Problems
Zhang, Guyang, Abdulla, Waleed
Transformers have become the architecture of choice for learning long-range dependencies, yet their adoption in hyperspectral imaging (HSI) is still emerging. We reviewed more than 300 papers published up to 2025 and present the first end-to-end survey dedicated to Transformer-based HSI classification. The study categorizes every stage of a typical pipeline-pre-processing, patch or pixel tokenization, positional encoding, spatial-spectral feature extraction, multi-head self-attention variants, skip connections, and loss design-and contrasts alternative design choices with the unique spatial-spectral properties of HSI. We map the field's progress against persistent obstacles: scarce labeled data, extreme spectral dimensionality, computational overhead, and limited model explainability. Finally, we outline a research agenda prioritizing valuable public data sets, lightweight on-edge models, illumination and sensor shifts robustness, and intrinsically interpretable attention mechanisms. Our goal is to guide researchers in selecting, combining, or extending Transformer components that are truly fit for purpose for next-generation HSI applications.
On Reasoning Strength Planning in Large Reasoning Models
Sheng, Leheng, Zhang, An, Wu, Zijian, Zhao, Weixiang, Shen, Changshuo, Zhang, Yi, Wang, Xiang, Chua, Tat-Seng
Recent studies empirically reveal that large reasoning models (LRMs) can automatically allocate more reasoning strengths (i.e., the number of reasoning tokens) for harder problems, exhibiting difficulty-awareness for better task performance. While this automatic reasoning strength allocation phenomenon has been widely observed, its underlying mechanism remains largely unexplored. To this end, we provide explanations for this phenomenon from the perspective of model activations. We find evidence that LRMs pre-plan the reasoning strengths in their activations even before generation, with this reasoning strength causally controlled by the magnitude of a pre-allocated directional vector. Specifically, we show that the number of reasoning tokens is predictable solely based on the question activations using linear probes, indicating that LRMs estimate the required reasoning strength in advance. We then uncover that LRMs encode this reasoning strength through a pre-allocated directional vector embedded in the activations of the model, where the vector's magnitude modulates the reasoning strength. Subtracting this vector can lead to reduced reasoning token number and performance, while adding this vector can lead to increased reasoning token number and even improved performance. We further reveal that this direction vector consistently yields positive reasoning length prediction, and it modifies the logits of end-of-reasoning token to affect the reasoning length. Finally, we demonstrate two potential applications of our findings: overthinking behavior detection and enabling efficient reasoning on simple problems. Our work provides new insights into the internal mechanisms of reasoning in LRMs and offers practical tools for controlling their reasoning behaviors. Our code is available at https://github.com/AlphaLab-USTC/LRM-plans-CoT.
Neighbour-Driven Gaussian Process Variational Autoencoders for Scalable Structured Latent Modelling
Shi, Xinxing, Jiang, Xiaoyu, รlvarez, Mauricio A.
Gaussian Process (GP) Variational Autoencoders (VAEs) extend standard VAEs by replacing the fully factorised Gaussian prior with a GP prior, thereby capturing richer correlations among latent variables. However, performing exact GP inference in large-scale GPVAEs is computationally prohibitive, often forcing existing approaches to rely on restrictive kernel assumptions or large sets of inducing points. In this work, we propose a neighbour-driven approximation strategy that exploits local adjacencies in the latent space to achieve scalable GPVAE inference. By confining computations to the nearest neighbours of each data point, our method preserves essential latent dependencies, allowing more flexible kernel choices and mitigating the need for numerous inducing points. Through extensive experiments on tasks including representation learning, data imputation, and conditional generation, we demonstrate that our approach outperforms other GPVAE variants in both predictive performance and computational efficiency.
FunDiff: Diffusion Models over Function Spaces for Physics-Informed Generative Modeling
Wang, Sifan, Dou, Zehao, Liu, Tong-Rui, Lu, Lu
Recent advances in generative modeling -- particularly diffusion models and flow matching -- have achieved remarkable success in synthesizing discrete data such as images and videos. However, adapting these models to physical applications remains challenging, as the quantities of interest are continuous functions governed by complex physical laws. Here, we introduce $\textbf{FunDiff}$, a novel framework for generative modeling in function spaces. FunDiff combines a latent diffusion process with a function autoencoder architecture to handle input functions with varying discretizations, generate continuous functions evaluable at arbitrary locations, and seamlessly incorporate physical priors. These priors are enforced through architectural constraints or physics-informed loss functions, ensuring that generated samples satisfy fundamental physical laws. We theoretically establish minimax optimality guarantees for density estimation in function spaces, showing that diffusion-based estimators achieve optimal convergence rates under suitable regularity conditions. We demonstrate the practical effectiveness of FunDiff across diverse applications in fluid dynamics and solid mechanics. Empirical results show that our method generates physically consistent samples with high fidelity to the target distribution and exhibits robustness to noisy and low-resolution data. Code and datasets are publicly available at https://github.com/sifanexisted/fundiff.