Boosting Offline Optimizers with Surrogate Sensitivity

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function. Although such a surrogate can be learned from offline data, its prediction might not be reliable outside the offline data regime, which happens when the surrogate has narrow prediction margin and is (therefore) sensitive to small perturbations of its parameterization. This raises the following questions: (1) how to regulate the sensitivity of a surrogate model; and (2) whether conditioning an offline optimizer with such less sensitive surrogate will lead to better optimization performance. To address these questions, we develop an optimizable sensitivity measurement for the surrogate model, which then inspires a sensitivity-informed regularizer that is applicable to a wide range of offline optimizers. This development is both orthogonal and synergistic to prior research on offline optimization, which is demonstrated in our extensive experiment benchmark.

Incorporating Surrogate Gradient Norm to Improve Offline Optimization Techniques

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

NeurFlow: Interpreting Neural Networks through Neuron Groups and Functional Interactions

Understanding the inner workings of neural networks is essential for enhancing model performance and interpretability. Current research predominantly focuses on examining the connection between individual neurons and the model's final predictions. Which suffers from challenges in interpreting the internal workings of the model, particularly when neurons encode multiple unrelated features. In this paper, we propose a novel framework that transitions the focus from analyzing individual neurons to investigating groups of neurons, shifting the emphasis from neuron-output relationships to functional interaction between neurons. Our automated framework, NeurFlow, first identifies core neurons and clusters them into groups based on shared functional relationships, enabling a more coherent and interpretable view of the network's internal processes. This approach facilitates the construction of a hierarchical circuit representing neuron interactions across layers, thus improving interpretability while reducing computational costs. Our extensive empirical studies validate the fidelity of our proposed NeurFlow. Additionally, we showcase its utility in practical applications such as image debugging and automatic concept labeling, thereby highlighting its potential to advance the field of neural network explainability.

Bridging Classification and Segmentation in Osteosarcoma Assessment via Foundation and Discrete Diffusion Models

Osteosarcoma, the most common primary bone cancer, often requires accurate necrosis assessment from whole slide images (WSIs) for effective treatment planning and prognosis. However, manual assessments are subjective and prone to variability. In response, we introduce FDDM, a novel framework bridging the gap between patch classification and region-based segmentation. FDDM operates in two stages: patch-based classification, followed by region-based refinement, enabling cross-patch information intergation. Leveraging a newly curated dataset of osteosarcoma images, FDDM demonstrates superior segmentation performance, achieving up to a 10% improvement mIOU and a 32.12% enhancement in necrosis rate estimation over state-of-the-art methods. This framework sets a new benchmark in osteosarcoma assessment, highlighting the potential of foundation models and diffusion-based refinements in complex medical imaging tasks.

Instruction-Guided Editing Controls for Images and Multimedia: A Survey in LLM era

The rapid advancement of large language models (LLMs) and multimodal learning has transformed digital content creation and manipulation. Traditional visual editing tools require significant expertise, limiting accessibility. Recent strides in instruction-based editing have enabled intuitive interaction with visual content, using natural language as a bridge between user intent and complex editing operations. This survey provides an overview of these techniques, focusing on how LLMs and multimodal models empower users to achieve precise visual modifications without deep technical knowledge. By synthesizing over 100 publications, we explore methods from generative adversarial networks to diffusion models, examining multimodal integration for fine-grained content control. We discuss practical applications across domains such as fashion, 3D scene manipulation, and video synthesis, highlighting increased accessibility and alignment with human intuition. Our survey compares existing literature, emphasizing LLM-empowered editing, and identifies key challenges to stimulate further research. We aim to democratize powerful visual editing across various industries, from entertainment to education. Interested readers are encouraged to access our repository at https://github.com/tamlhp/awesome-instruction-editing.

CT to PET Translation: A Large-scale Dataset and Domain-Knowledge-Guided Diffusion Approach

Positron Emission Tomography (PET) and Computed Tomography (CT) are essential for diagnosing, staging, and monitoring various diseases, particularly cancer. Despite their importance, the use of PET/CT systems is limited by the necessity for radioactive materials, the scarcity of PET scanners, and the high cost associated with PET imaging. In contrast, CT scanners are more widely available and significantly less expensive. In response to these challenges, our study addresses the issue of generating PET images from CT images, aiming to reduce both the medical examination cost and the associated health risks for patients. Our contributions are twofold: First, we introduce a conditional diffusion model named CPDM, which, to our knowledge, is one of the initial attempts to employ a diffusion model for translating from CT to PET images. Second, we provide the largest CT-PET dataset to date, comprising 2,028,628 paired CT-PET images, which facilitates the training and evaluation of CT-to-PET translation models. For the CPDM model, we incorporate domain knowledge to develop two conditional maps: the Attention map and the Attenuation map. The former helps the diffusion process focus on areas of interest, while the latter improves PET data correction and ensures accurate diagnostic information. Experimental evaluations across various benchmarks demonstrate that CPDM surpasses existing methods in generating high-quality PET images in terms of multiple metrics. The source code and data samples are available at https://github.com/thanhhff/CPDM.

FedCert: Federated Accuracy Certification

Federated Learning (FL) has emerged as a powerful paradigm for training machine learning models in a decentralized manner, preserving data privacy by keeping local data on clients. However, evaluating the robustness of these models against data perturbations on clients remains a significant challenge. Previous studies have assessed the effectiveness of models in centralized training based on certified accuracy, which guarantees that a certain percentage of the model's predictions will remain correct even if the input data is perturbed. However, the challenge of extending these evaluations to FL remains unresolved due to the unknown client's local data. To tackle this challenge, this study proposed a method named FedCert to take the first step toward evaluating the robustness of FL systems. The proposed method is designed to approximate the certified accuracy of a global model based on the certified accuracy and class distribution of each client. Additionally, considering the Non-Independent and Identically Distributed (Non-IID) nature of data in real-world scenarios, we introduce the client grouping algorithm to ensure reliable certified accuracy during the aggregation step of the approximation algorithm. Through theoretical analysis, we demonstrate the effectiveness of FedCert in assessing the robustness and reliability of FL systems. Moreover, experimental results on the CIFAR-10 and CIFAR-100 datasets under various scenarios show that FedCert consistently reduces the estimation error compared to baseline methods. This study offers a solution for evaluating the robustness of FL systems and lays the groundwork for future research to enhance the dependability of decentralized learning. The source code is available at https://github.com/thanhhff/FedCert/.

FedMAC: Tackling Partial-Modality Missing in Federated Learning with Cross-Modal Aggregation and Contrastive Regularization

Federated Learning (FL) is a method for training machine learning models using distributed data sources. It ensures privacy by allowing clients to collaboratively learn a shared global model while storing their data locally. However, a significant challenge arises when dealing with missing modalities in clients' datasets, where certain features or modalities are unavailable or incomplete, leading to heterogeneous data distribution. While previous studies have addressed the issue of complete-modality missing, they fail to tackle partial-modality missing on account of severe heterogeneity among clients at an instance level, where the pattern of missing data can vary significantly from one sample to another. To tackle this challenge, this study proposes a novel framework named FedMAC, designed to address multi-modality missing under conditions of partial-modality missing in FL. Additionally, to avoid trivial aggregation of multi-modal features, we introduce contrastive-based regularization to impose additional constraints on the latent representation space. The experimental results demonstrate the effectiveness of FedMAC across various client configurations with statistical heterogeneity, outperforming baseline methods by up to 26% in severe missing scenarios, highlighting its potential as a solution for the challenge of partially missing modalities in federated systems.

Heterogeneous Hypergraph Embedding for Recommendation Systems

Recent advancements in recommender systems have focused on integrating knowledge graphs (KGs) to leverage their auxiliary information. The core idea of KG-enhanced recommenders is to incorporate rich semantic information for more accurate recommendations. However, two main challenges persist: i) Neglecting complex higher-order interactions in the KG-based user-item network, potentially leading to sub-optimal recommendations, and ii) Dealing with the heterogeneous modalities of input sources, such as user-item bipartite graphs and KGs, which may introduce noise and inaccuracies. To address these issues, we present a novel Knowledge-enhanced Heterogeneous Hypergraph Recommender System (KHGRec). KHGRec captures group-wise characteristics of both the interaction network and the KG, modeling complex connections in the KG. Using a collaborative knowledge heterogeneous hypergraph (CKHG), it employs two hypergraph encoders to model group-wise interdependencies and ensure explainability. Additionally, it fuses signals from the input graphs with cross-view self-supervised learning and attention mechanisms. Extensive experiments on four real-world datasets show our model's superiority over various state-of-the-art baselines, with an average 5.18\% relative improvement. Additional tests on noise resilience, missing data, and cold-start problems demonstrate the robustness of our KHGRec framework. Our model and evaluation datasets are publicly available at \url{https://github.com/viethungvu1998/KHGRec}.

Fast-FedUL: A Training-Free Federated Unlearning with Provable Skew Resilience

Federated learning (FL) has recently emerged as a compelling machine learning paradigm, prioritizing the protection of privacy for training data. The increasing demand to address issues such as ``the right to be forgotten'' and combat data poisoning attacks highlights the importance of techniques, known as \textit{unlearning}, which facilitate the removal of specific training data from trained FL models. Despite numerous unlearning methods proposed for centralized learning, they often prove inapplicable to FL due to fundamental differences in the operation of the two learning paradigms. Consequently, unlearning in FL remains in its early stages, presenting several challenges. Many existing unlearning solutions in FL require a costly retraining process, which can be burdensome for clients. Moreover, these methods are primarily validated through experiments, lacking theoretical assurances. In this study, we introduce Fast-FedUL, a tailored unlearning method for FL, which eliminates the need for retraining entirely. Through meticulous analysis of the target client's influence on the global model in each round, we develop an algorithm to systematically remove the impact of the target client from the trained model. In addition to presenting empirical findings, we offer a theoretical analysis delineating the upper bound of our unlearned model and the exact retrained model (the one obtained through retraining using untargeted clients). Experimental results with backdoor attack scenarios indicate that Fast-FedUL effectively removes almost all traces of the target client, while retaining the knowledge of untargeted clients (obtaining a high accuracy of up to 98\% on the main task). Significantly, Fast-FedUL attains the lowest time complexity, providing a speed that is 1000 times faster than retraining. Our source code is publicly available at \url{https://github.com/thanhtrunghuynh93/fastFedUL}.