A key quantity of interest is the mutual information and generalizations thereof, including conditional mutual information, multivariate mutual information, total correlation and directed information.

A key quantity of interest is the mutual information and generalizations thereof, including conditional mutual information, multivariate mutual information, total correlation and directed information.

Microscopy such as Scanning Tunneling Microscopy (STM), Atomic Force Microscopy (AFM) and Scanning Electron Microscopy (SEM) are essential tools in material imaging at micro- and nanoscale resolutions to extract physical knowledge and materials structure-property relationships. However, tuning microscopy controls (e.g. scanning speed, current setpoint, tip bias etc.) to obtain a high-quality of images is a non-trivial and time-consuming effort. On the other hand, with sub-standard images, the key features are not accurately discovered due to noise and artifacts, leading to erroneous analysis. Existing denoising models mostly build on generalizing the weak signals as noises while the strong signals are enhanced as key features, which is not always the case in microscopy images, thus can completely erase a significant amount of hidden physical information. To address these limitations, we propose a global denoising model (GDM) to smartly remove artifacts of microscopy images while preserving weaker but physically important features. The proposed model is developed based on 1) first designing a two-imaging input channel of non-pair and goal specific pre-processed images with user-defined trade-off information between two channels and 2) then integrating a loss function of pixel- and fast Fourier-transformed (FFT) based on training the U-net model. We compared the proposed GDM with the non-FFT denoising model over STM-generated images of Copper(Cu) and Silicon(Si) materials, AFM-generated Pantoea sp.YR343 bio-film images and SEM-generated plastic degradation images. We believe this proposed workflow can be extended to improve other microscopy image quality and will benefit the experimentalists with the proposed design flexibility to smartly tune via domain-experts preferences.

Switching dynamical systems can model complicated time series data while maintaining interpretability by inferring a finite set of dynamics primitives and explaining different portions of the observed time series with one of these primitives. However, due to the discrete nature of this set, such models struggle to capture smooth, variable-speed transitions, as well as stochastic mixtures of overlapping states, and the inferred dynamics often display spurious rapid switching on real-world datasets. Here, we propose the Gumbel Dynamical Model (GDM). First, by introducing a continuous relaxation of discrete states and a different noise model defined on the relaxed-discrete state space via the Gumbel distribution, GDM expands the set of available state dynamics, allowing the model to approximate smoother and non-stationary ground-truth dynamics more faithfully. Second, the relaxation makes the model fully differentiable, enabling fast and scalable training with standard gradient descent methods. We validate our approach on standard simulation datasets and highlight its ability to model soft, sticky states and transitions in a stochastic setting. Furthermore, we apply our model to two real-world datasets, demonstrating its ability to infer interpretable states in stochastic time series with multiple dynamics, a setting where traditional methods often fail.

Recent advancements in graph diffusion models (GDMs) have enabled the synthesis of realistic network structures, yet ensuring fairness in the generated data remains a critical challenge. Existing solutions attempt to mitigate bias by re-training the GDMs with ad-hoc fairness constraints. Conversely, with this work, we propose FAROS, a novel FAir graph geneRatiOn framework leveraging attribute Switching mechanisms and directly running in the generation process of the pre-trained GDM. Technically, our approach works by altering nodes' sensitive attributes during the generation. To this end, FAROS calculates the optimal fraction of switching nodes, and selects the diffusion step to perform the switch by setting tailored multi-criteria constraints to preserve the node-topology profile from the original distribution (a proxy for accuracy) while ensuring the edge independence on the sensitive attributes for the generated graph (a proxy for fairness). Our experiments on benchmark datasets for link prediction demonstrate that the proposed approach effectively reduces fairness discrepancies while maintaining comparable (or even higher) accuracy performance to other similar baselines. Noteworthy, FAROS is also able to strike a better accuracy-fairness trade-off than other competitors in some of the tested settings under the Pareto optimality concept, demonstrating the effectiveness of the imposed multi-criteria constraints.

Dynamic resource allocation in mobile wireless networks involves complex, time-varying optimization problems, motivating the adoption of deep reinforcement learning (DRL). However, most existing works rely on pre-trained policies, overlooking dynamic environmental changes that rapidly invalidate the policies. Periodic retraining becomes inevitable but incurs prohibitive computational costs and energy consumption-critical concerns for resource-constrained wireless systems. We identify three root causes of inefficient retraining: high-dimensional state spaces, suboptimal action spaces exploration-exploitation trade-offs, and reward design limitations. To overcome these limitations, we propose Diffusion-based Deep Reinforcement Learning (D2RL), which leverages generative diffusion models (GDMs) to holistically enhance all three DRL components. Iterative refinement process and distribution modelling of GDMs enable (1) the generation of diverse state samples to improve environmental understanding, (2) balanced action space exploration to escape local optima, and (3) the design of discriminative reward functions that better evaluate action quality. Our framework operates in two modes: Mode I leverages GDMs to explore reward spaces and design discriminative reward functions that rigorously evaluate action quality, while Mode II synthesizes diverse state samples to enhance environmental understanding and generalization. Extensive experiments demonstrate that D2RL achieves faster convergence and reduced computational costs over conventional DRL methods for resource allocation in wireless communications while maintaining competitive policy performance. This work underscores the transformative potential of GDMs in overcoming fundamental DRL training bottlenecks for wireless networks, paving the way for practical, real-time deployments.

Network optimization is a fundamental challenge in the Internet of Things (IoT) network, often characterized by complex features that make it difficult to solve these problems. Recently, generative diffusion models (GDMs) have emerged as a promising new approach to network optimization, with the potential to directly address these optimization problems. However, the application of GDMs in this field is still in its early stages, and there is a noticeable lack of theoretical research and empirical findings. In this study, we first explore the intrinsic characteristics of generative models. Next, we provide a concise theoretical proof and intuitive demonstration of the advantages of generative models over discriminative models in network optimization. Based on this exploration, we implement GDMs as optimizers aimed at learning high-quality solution distributions for given inputs, sampling from these distributions during inference to approximate or achieve optimal solutions. Specifically, we utilize denoising diffusion probabilistic models (DDPMs) and employ a classifier-free guidance mechanism to manage conditional guidance based on input parameters. We conduct extensive experiments across three challenging network optimization problems. By investigating various model configurations and the principles of GDMs as optimizers, we demonstrate the ability to overcome prediction errors and validate the convergence of generated solutions to optimal solutions. We provide code and data at https://github.com/qiyu3816/DiffSG.

Massive multiple-input multiple-output (MIMO) offers significant advantages in spectral and energy efficiencies, positioning it as a cornerstone technology of fifth-generation (5G) wireless communication systems and a promising solution for the burgeoning data demands anticipated in sixth-generation (6G) networks. In recent years, with the continuous advancement of artificial intelligence (AI), a multitude of task-oriented generative foundation models (GFMs) have emerged, achieving remarkable performance in various fields such as computer vision (CV), natural language processing (NLP), and autonomous driving. As a pioneering force, these models are driving the paradigm shift in AI towards generative AI (GenAI). Among them, the generative diffusion model (GDM), as one of state-of-the-art families of generative models, demonstrates an exceptional capability to learn implicit prior knowledge and robust generalization capabilities, thereby enhancing its versatility and effectiveness across diverse applications. In this paper, we delve into the potential applications of GDM in massive MIMO communications. Specifically, we first provide an overview of massive MIMO communication, the framework of GFMs, and the working mechanism of GDM. Following this, we discuss recent research advancements in the field and present a case study of near-field channel estimation based on GDM, demonstrating its promising potential for facilitating efficient ultra-dimensional channel statement information (CSI) acquisition in the context of massive MIMO communications. Finally, we highlight several pressing challenges in future mobile communications and identify promising research directions surrounding GDM.

Channel estimation is a fundamental task in communication systems and is critical for effective demodulation. While most works deal with a simple scenario where the measurements are corrupted by the additive white Gaussian noise (AWGN), this work addresses the more challenging scenario where both AWGN and structured interference coexist. Such conditions arise, for example, when a sonar/radar transmitter and a communication receiver operate simultaneously within the same bandwidth. To ensure accurate channel estimation in these scenarios, the sparsity of the channel in the delay domain and the complicate structure of the interference are jointly exploited. Firstly, the score of the structured interference is learned via a neural network based on the diffusion model (DM), while the channel prior is modeled as a Gaussian distribution, with its variance controlling channel sparsity, similar to the setup of the sparse Bayesian learning (SBL). Then, two efficient posterior sampling methods are proposed to jointly estimate the sparse channel and the interference. Nuisance parameters, such as the variance of the prior are estimated via the expectation maximization (EM) algorithm. The proposed method is termed as DM based SBL (DM-SBL). Numerical simulations demonstrate that DM-SBL significantly outperforms conventional approaches that deal with the AWGN scenario, particularly under low signal-to-interference ratio (SIR) conditions. Beyond channel estimation, DM-SBL also shows promise for addressing other linear inverse problems involving structured interference.

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of large language models (LLMs) to enable effective cross-modal understanding. While preliminary protein-focused MLLMs have emerged, they have predominantly relied on heuristic approaches, lacking a fundamental understanding of optimal alignment practices across representations. In this study, we explore the alignment of multimodal representations between LLMs and Geometric Deep Models (GDMs) in the protein domain. We comprehensively evaluate three state-of-the-art LLMs (Gemma2-2B, LLaMa3.1-8B, and LLaMa3.1-70B) with four protein-specialized GDMs (GearNet, GVP, ScanNet, GAT). Our work examines alignment factors from both model and protein perspectives, identifying challenges in current alignment methodologies and proposing strategies to improve the alignment process. Our key findings reveal that GDMs incorporating both graph and 3D structural information align better with LLMs, larger LLMs demonstrate improved alignment capabilities, and protein rarity significantly impacts alignment performance. We also find that increasing GDM embedding dimensions, using two-layer projection heads, and fine-tuning LLMs on protein-specific data substantially enhance alignment quality. These strategies offer potential enhancements to the performance of protein-related multimodal models. Our code and data are available at https://github.com/Tizzzzy/LLM-GDM-alignment.