Federated Learning (FL) enables collaborative model training across multiple clients while preserving data privacy. Traditional FL methods often use a global model to fit all clients, assuming that clients' data are independent and identically distributed (IID). However, when this assumption does not hold, the global model accuracy may drop significantly, limiting FL applicability in real-world scenarios. To address this gap, we propose FLUX, a novel clustering-based FL (CFL) framework that addresses the four most common types of distribution shifts during both training and test time. To this end, FLUX leverages privacy-preserving client-side descriptor extraction and unsupervised clustering to ensure robust performance and scalability across varying levels and types of distribution shifts. Unlike existing CFL methods addressing non-IID client distribution shifts, FLUX i) does not require any prior knowledge of the types of distribution shifts or the number of client clusters, and ii) supports test-time adaptation, enabling unseen and unlabeled clients to benefit from the most suitable cluster-specific models. Extensive experiments across four standard benchmarks, two real-world datasets and ten state-of-the-art baselines show that FLUX improves performance and stability under diverse distribution shifts, achieving an average accuracy gain of up to 23 percentage points over the best-performing baselines, while maintaining computational and communication overhead comparable to FedAvg.

Numerical simulations have revolutionized the industrial design process by reducing prototyping costs, design iterations, and enabling product engineers to explore the design space more efficiently. However, the growing scale of simulations demands substantial expert knowledge, computational resources, and time. A key challenge is identifying input parameters that yield optimal results, as iterative simulations are costly and can have a large environmental impact. This paper presents an AI-assisted workflow that reduces expert involvement in parameter optimization through the use of Bayesian optimization. Furthermore, we present an active learning variant of the approach, assisting the expert if desired. A deep learning model provides an initial parameter estimate, from which the optimization cycle iteratively refines the design until a termination condition (e.g., energy budget or iteration limit) is met. We demonstrate our approach, based on a sheet metal forming process, and show how it enables us to accelerate the exploration of the design space while reducing the need for expert involvement.

Forecasting tumor growth is critical for optimizing treatment. Classical growth models such as the Gompertz and Bertalanffy equations capture general tumor dynamics but may fail to adapt to patient-specific variability, particularly with limited data available. In this study, we leverage Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs), two pillars of Scientific Machine Learning (SciML), to construct adaptive tumor growth models capable of learning from experimental data. Using the Gompertz model as a baseline, we replace rigid terms with adaptive neural networks to capture hidden dynamics through robust modeling in the Julia programming language. We use our models to perform forecasting under data constraints and symbolic recovery to transform the learned dynamics into explicit mathematical expressions. Our approach has the potential to improve predictive accuracy, guiding dynamic and effective treatment strategies for improved clinical outcomes.

Traditional pricing paradigms, once dominated by static models and rule-based heuristics, are increasingly being replaced by dynamic, data-driven approaches powered by machine learning algorithms. Despite their growing sophistication, most dynamic pricing algorithms focus on optimizing the price of each product independently, disregarding potential interactions among items. By neglecting these interdependencies in consumer demand across related goods, sellers may fail to capture the full potential of coordinated pricing strategies. In this paper, we address this problem by exploring dynamic pricing mechanisms designed explicitly for complementary products, aiming to exploit their joint demand structure to maximize overall revenue. We present an online learning algorithm considering both positive and negative interactions between products' demands. The algorithm utilizes transaction data to identify advantageous complementary relationships through an integer programming problem between different items, and then optimizes pricing strategies using data-driven and computationally efficient multi-armed bandit solutions based on heteroscedastic Gaussian processes. We validate our solution in a simulated environment, and we demonstrate that our solution improves the revenue w.r.t. a comparable learning algorithm ignoring such interactions.

Large Language models are revolutionizing the conversational recommender systems through their impressive capabilities in instruction comprehension, reasoning, and human interaction. A core factor underlying effective recommendation dialogue is the ability to infer and reason about users' mental states (such as desire, intention, and belief), a cognitive capacity commonly referred to as Theory of Mind. Despite growing interest in evaluating ToM in LLMs, current benchmarks predominantly rely on synthetic narratives inspired by Sally-Anne test, which emphasize physical perception and fail to capture the complexity of mental state inference in realistic conversational settings. Moreover, existing benchmarks often overlook a critical component of human ToM: behavioral prediction, the ability to use inferred mental states to guide strategic decision-making and select appropriate conversational actions for future interactions. To better align LLM-based ToM evaluation with human-like social reasoning, we propose RecToM, a novel benchmark for evaluating ToM abilities in recommendation dialogues. RecToM focuses on two complementary dimensions: Cognitive Inference and Behavioral Prediction. The former focus on understanding what has been communicated by inferring the underlying mental states. The latter emphasizes what should be done next, evaluating whether LLMs can leverage these inferred mental states to predict, select, and assess appropriate dialogue strategies. Extensive experiments on state-of-the-art LLMs demonstrate that RecToM poses a significant challenge. While the models exhibit partial competence in recognizing mental states, they struggle to maintain coherent, strategic ToM reasoning throughout dynamic recommendation dialogues, particularly in tracking evolving intentions and aligning conversational strategies with inferred mental states.

Federated learning (FL) enables collaborative training across clients without compromising privacy. While most existing FL methods assume homogeneous model architectures, client heterogeneity in data and resources renders this assumption impractical, motivating model-heterogeneous FL. To address this problem, we propose Federated Representation Entanglement (FedRE), a framework built upon a novel form of client knowledge termed entangled representation. In FedRE, each client aggregates its local representations into a single entangled representation using normalized random weights and applies the same weights to integrate the corresponding one-hot label encodings into the entangled-label encoding. Those are then uploaded to the server to train a global classifier. During training, each entangled representation is supervised across categories via its entangled-label encoding, while random weights are resampled each round to introduce diversity, mitigating the global classifier's overconfidence and promoting smoother decision boundaries. Furthermore, each client uploads a single cross-category entangled representation along with its entangled-label encoding, mitigating the risk of representation inversion attacks and reducing communication overhead. Extensive experiments demonstrate that FedRE achieves an effective trade-off among model performance, privacy protection, and communication overhead. The codes are available at https://github.com/AIResearch-Group/FedRE.

We evaluate the performance of various text embedding models and pipeline configurations for AI-driven search systems. We compare sentence-transformer and generative embedding models (e.g., All-MPNet, BGE, GTE, and Qwen) at different dimensions, indexing methods (Milvus HNSW/IVF), and chunking strategies. A custom evaluation dataset of 11,975 query-chunk pairs was synthesized from US City Council meeting transcripts using a local large language model (LLM). The data pipeline includes preprocessing, automated question generation per chunk, manual validation, and continuous integration/continuous deployment (CI/CD) integration. We measure retrieval accuracy using reference-based metrics: Top-K Accuracy and Normalized Discounted Cumulative Gain (NDCG). Our results demonstrate that higher-dimensional embeddings significantly boost search quality (e.g., Qwen3-Embedding-8B/4096 achieves Top-3 accuracy about 0.571 versus 0.412 for GTE-large/1024), and that neural re-rankers (e.g., a BGE cross-encoder) further improve ranking accuracy (Top-3 up to 0.527). Finer-grained chunking (512 characters versus 2000 characters) also improves accuracy. We discuss the impact of these factors and outline future directions for pipeline automation and evaluation.

The interaction between proteins and nucleic acids is crucial for processes that sustain cellular function, including DNA maintenance and the regulation of gene expression and translation. Amino acid mutat ions in protein - nucleic acid complexes often lead to vital disease s . Experimental techniques have their own specific limitations in predicting mutational effects in protein - nucleic acid complexes . In this study, we compiled a large dataset of 1951 mutations including both protein - DNA and protein - RNA complexes and integrate d structural and sequential features to build a deep learning - based regression model named DeepPNI . This model estimates mutation - induced binding free energy changes in protein - nucleic aci d complexes . The structural feature s are encoded via edge - aware RGCN and the sequential feature s are extracted using protein language model ESM - 2. W e have achieved a high average Pearson correlation coeffi cient (PCC) of 0.76 in the large dataset via five - fold cross - validation. Consistent performance across individual dataset of protein - DNA, protein - RNA complexes, and different experimental temperature split dataset make the model g eneralizable . Our model showed g ood performance in complex - based five - fold cross - validation, which prove d its robustness. In addition, DeepPNI outperform ed in e xternal dataset validation, and compar ison with existing tools .

This paper addresses the problem of building global topological maps from 3D LiDAR point clouds for autonomous mobile robots operating in large-scale, dynamic, and unknown environments. Adaptive Resonance Theory-based Topological Clustering with Different Topologies (ATC-DT) builds global topological maps represented as graphs while mitigating catastrophic forgetting during sequential processing. However, its winner selection mechanism relies on an exhaustive nearest-neighbor search over all existing nodes, leading to scalability limitations as the map grows. To address this challenge, we propose a hierarchical extension called Multi-Layer ATC (MLATC). MLATC organizes nodes into a hierarchy, enabling the nearest-neighbor search to proceed from coarse to fine resolutions, thereby drastically reducing the number of distance evaluations per query. The number of layers is not fixed in advance. MLATC employs an adaptive layer addition mechanism that automatically deepens the hierarchy when lower layers become saturated, keeping the number of user-defined hyperparameters low. Simulation experiments on synthetic large-scale environments show that MLATC accelerates topological map building compared to the original ATC-DT and exhibits a sublinear, approximately logarithmic scaling of search time with respect to the number of nodes. Experiments on campus-scale real-world LiDAR datasets confirm that MLATC maintains a millisecond-level per-frame runtime and enables real-time global topological map building in large-scale environments, significantly outperforming the original ATC-DT in terms of computational efficiency.

Multi-modal large language models (MLLMs) have shown promise in advancing healthcare. However, most existing models remain confined to single-image understanding, which greatly limits their applicability in clinical workflows. In practice, medical diagnosis and progression often require synthesizing information across multiple images from different modalities or time points. The development of medical MLLMs capable of such multi-image understanding has been hindered by the lack of large-scale, high-quality annotated training data. To address this limitation, we propose a novel framework that leverages license-permissive compound images in biomedical literature, as a rich yet underutilized data source for multi-image analysis. Specifically, we design a five-stage, context-aware instruction generation paradigm underpinned by a divide-and-conquer strategy. By decomposing multi-image analysis into manageable sub-tasks, this paradigm empowers MLLMs to move beyond single-panel analysis and provide a composite understanding by learning the complex spatial, temporal, and cross-modal relationships inherent in these compound figures. By parsing over 237,000 compound figures and their contextual text for instruction generation, we develop M3LLM, a medical multi-image multi-modal large language model. For benchmarking, we construct PMC-MI-Bench for composite understanding, manually validated by medical experts. Extensive experiments show that M3LLM significantly outperforms both general-purpose and specialized medical MLLMs across multi-image, single-image, text-only, and multi-choice scenarios. Notably, M3LLM exhibits strong generalization to longitudinal chest X-ray analysis using the MIMIC dataset. This work establishes a scalable and efficient paradigm for developing medical MLLMs capable of composite reasoning, bridging the gap between biomedical literature and real-world clinical applications.