Multimodal data is a precious asset enabling a variety of downstream tasks in machine learning. However, real-world data collected across different modalities is often not paired, which is a significant challenge to learn a joint distribution. A prominent approach to address the modality coupling problem is Minimum Entropy Coupling (MEC), which seeks to minimize the joint Entropy, while satisfying constraints on the marginals. Existing approaches to the MEC problem focus on finite, discrete distributions, limiting their application for cases involving continuous data. In this work, we propose a novel method to solve the continuous MEC problem, using well-known generative diffusion models that learn to approximate and minimize the joint Entropy through a cooperative scheme, while satisfying a relaxed version of the marginal constraints. We empirically demonstrate that our method, DDMEC, is general and can be easily used to address challenging tasks, including unsupervised single-cell multi-omics data alignment and unpaired image translation, outperforming specialized methods.

Diffuse Reflectance Spectroscopy (DRS) is a well-established optical technique for tissue composition assessment which has been clinically evaluated for tumour detection to ensure the complete removal of cancerous tissue. While point-wise assessment has many potential applications, incorporating automated large-area scanning would enable holistic tissue sampling with higher consistency. We propose a robotic system to facilitate autonomous DRS scanning with hybrid visual servoing control. A specially designed height compensation module enables precise contact condition control. The evaluation results show that the system can accurately execute the scanning command and acquire consistent DRS spectra with comparable results to the manual collection, which is the current gold standard protocol. Integrating the proposed system into surgery lays the groundwork for autonomous intra-operative DRS tissue assessment with high reliability and repeatability. This could reduce the need for manual scanning by the surgeon while ensuring complete tumor removal in clinical practice.

Modern machine learning tasks often involve massive datasets and models, necessitating distributed optimization algorithms with reduced communication overhead. Communication compression, where clients transmit compressed updates to a central server, has emerged as a key technique to mitigate communication bottlenecks. However, the theoretical understanding of stochastic distributed optimization with contractive compression remains limited, particularly in conjunction with Nesterov acceleration -- a cornerstone for achieving faster convergence in optimization. In this paper, we propose a novel algorithm, ADEF (Accelerated Distributed Error Feedback), which integrates Nesterov acceleration, contractive compression, error feedback, and gradient difference compression. We prove that ADEF achieves the first accelerated convergence rate for stochastic distributed optimization with contractive compression in the general convex regime. Numerical experiments validate our theoretical findings and demonstrate the practical efficacy of ADEF in reducing communication costs while maintaining fast convergence.

We present the Electronic Tensor Reconstruction Algorithm (ELECTRA) - an equivariant model for predicting electronic charge densities using "floating" orbitals. Floating orbitals are a long-standing idea in the quantum chemistry community that promises more compact and accurate representations by placing orbitals freely in space, as opposed to centering all orbitals at the position of atoms. Finding ideal placements of these orbitals requires extensive domain knowledge though, which thus far has prevented widespread adoption. We solve this in a data-driven manner by training a Cartesian tensor network to predict orbital positions along with orbital coefficients. This is made possible through a symmetry-breaking mechanism that is used to learn position displacements with lower symmetry than the input molecule while preserving the rotation equivariance of the charge density itself. Inspired by recent successes of Gaussian Splatting in representing densities in space, we are using Gaussians as our orbitals and predict their weights and covariance matrices. Our method achieves a state-of-the-art balance between computational efficiency and predictive accuracy on established benchmarks.

Enhancing the accuracy and efficiency of machine learning algorithms employed in neural interface systems is crucial for advancing next-generation intelligent therapeutic devices. However, current systems often utilize basic machine learning models that do not fully exploit the natural structure of brain signals. Additionally, existing learning models used for neural signal processing often demonstrate low speed and efficiency during inference. To address these challenges, this study introduces Micro Tree-based NAM (MT-NAM), a distilled model based on the recently proposed Neural Additive Models (NAM). The MT-NAM achieves a remarkable 100$\times$ improvement in inference speed compared to standard NAM, without compromising accuracy. We evaluate our approach on the CHB-MIT scalp EEG dataset, which includes recordings from 24 patients with varying numbers of sessions and seizures. NAM achieves an 85.3\% window-based sensitivity and 95\% specificity. Interestingly, our proposed MT-NAM shows only a 2\% reduction in sensitivity compared to the original NAM. To regain this sensitivity, we utilize a test-time template adjuster (T3A) as an update mechanism, enabling our model to achieve higher sensitivity during test time by accommodating transient shifts in neural signals. With this online update approach, MT-NAM achieves the same sensitivity as the standard NAM while achieving approximately 50$\times$ acceleration in inference speed.

We propose a fast and dynamic algorithm for Density-Based Spatial Clustering of Applications with Noise (DBSCAN) that efficiently supports online updates. Traditional DBSCAN algorithms, designed for batch processing, become computationally expensive when applied to dynamic datasets, particularly in large-scale applications where data continuously evolves. To address this challenge, our algorithm leverages the Euler Tour Trees data structure, enabling dynamic clustering updates without the need to reprocess the entire dataset. This approach preserves a near-optimal accuracy in density estimation, as achieved by the state-of-the-art static DBSCAN method (Esfandiari et al., 2021) Our method achieves an improved time complexity of $O(d \log^3(n) + \log^4(n))$ for every data point insertion and deletion, where $n$ and $d$ denote the total number of updates and the data dimension, respectively. Empirical studies also demonstrate significant speedups over conventional DBSCANs in real-time clustering of dynamic datasets, while maintaining comparable or superior clustering quality.

Supervised contrastive learning (SupCL) has emerged as a prominent approach in representation learning, leveraging both supervised and self-supervised losses. However, achieving an optimal balance between these losses is challenging; failing to do so can lead to class collapse, reducing discrimination among individual embeddings in the same class. In this paper, we present theoretically grounded guidelines for SupCL to prevent class collapse in learned representations. Specifically, we introduce the Simplex-to-Simplex Embedding Model (SSEM), a theoretical framework that models various embedding structures, including all embeddings that minimize the supervised contrastive loss. Through SSEM, we analyze how hyperparameters affect learned representations, offering practical guidelines for hyperparameter selection to mitigate the risk of class collapse. Our theoretical findings are supported by empirical results across synthetic and real-world datasets.

Wireless signal recognition (WSR) is a crucial technique for intelligent communications and spectrum sharing in the next six-generation (6G) wireless communication networks. It can be utilized to enhance network performance and efficiency, improve quality of service (QoS), and improve network security and reliability. Additionally, WSR can be applied for military applications such as signal interception, signal race, and signal abduction. In the past decades, great efforts have been made for the research of WSR. Earlier works mainly focus on model-based methods, including likelihood-based (LB) and feature-based (FB) methods, which have taken the leading position for many years. With the emergence of artificial intelligence (AI), intelligent methods including machine learning-based (ML-based) and deep learning-based (DL-based) methods have been developed to extract the features of the received signals and perform the classification. In this work, we provide a comprehensive review of WSR from the view of applications, main tasks, recent advances, datasets and evaluation metrics, challenges, and future directions. Specifically, intelligent WSR methods are introduced from the perspective of model, data, learning and implementation. Moreover, we analyze the challenges for WSR from the view of complex, dynamic, and open 6G wireless environments and discuss the future directions for WSR. This survey is expected to provide a comprehensive overview of the state-of-the-art WSR techniques and inspire new research directions for WSR in 6G networks.

Accurate prediction of drug target interactions is critical for accelerating drug discovery and elucidating complex biological mechanisms. In this work, we frame drug target prediction as a link prediction task on heterogeneous biomedical knowledge graphs (KG) that integrate drugs, proteins, diseases, pathways, and other relevant entities. Conventional KG embedding methods such as TransE and ComplEx SE are hindered by their reliance on computationally intensive negative sampling and their limited generalization to unseen drug target pairs. To address these challenges, we propose Multi Context Aware Sampling (MuCoS), a novel framework that prioritizes high-density neighbours to capture salient structural patterns and integrates these with contextual embeddings derived from BERT. By unifying structural and textual modalities and selectively sampling highly informative patterns, MuCoS circumvents the need for negative sampling, significantly reducing computational overhead while enhancing predictive accuracy for novel drug target associations and drug targets. Extensive experiments on the KEGG50k dataset demonstrate that MuCoS outperforms state-of-the-art baselines, achieving up to a 13\% improvement in mean reciprocal rank (MRR) in predicting any relation in the dataset and a 6\% improvement in dedicated drug target relation prediction.

Contrastive learning has achieved impressive success in generation tasks to militate the "exposure bias" problem and discriminatively exploit the different quality of references. Existing works mostly focus on contrastive learning on the instance-level without discriminating the contribution of each word, while keywords are the gist of the text and dominant the constrained mapping relationships. Hence, in this work, we propose a hierarchical contrastive learning mechanism, which can unify hybrid granularities semantic meaning in the input text. Concretely, we first propose a keyword graph via contrastive correlations of positive-negative pairs to iteratively polish the keyword representations. Then, we construct intra-contrasts within instance-level and keyword-level, where we assume words are sampled nodes from a sentence distribution. Finally, to bridge the gap between independent contrast levels and tackle the common contrast vanishing problem, we propose an inter-contrast mechanism that measures the discrepancy between contrastive keyword nodes respectively to the instance distribution. Experiments demonstrate that our model outperforms competitive baselines on paraphrasing, dialogue generation, and storytelling tasks.