Roadway traffic accidents represent a global health crisis, responsible for over a million deaths annually and costing many countries up to 3% of their GDP. Traditional traffic safety studies often examine risk factors in isolation, overlooking the spatial complexity and contextual interactions inherent in the built environment. Furthermore, conventional Neural Network-based risk estimators typically generate point estimates without conveying model uncertainty, limiting their utility in critical decision-making. To address these shortcomings, we introduce a novel geospatial deep learning framework that leverages satellite imagery as a comprehensive spatial input. This approach enables the model to capture the nuanced spatial patterns and embedded environmental risk factors that contribute to fatal crash risks. Rather than producing a single deterministic output, our model estimates a full Beta probability distribution over fatal crash risk, yielding accurate and uncertainty-aware predictions--a critical feature for trustworthy AI in safety-critical applications. Our model outperforms baselines by achieving a 17-23% improvement in recall, a key metric for flagging potential dangers, while delivering superior calibration. By providing reliable and interpretable risk assessments from satellite imagery alone, our method enables safer autonomous navigation and offers a highly scalable tool for urban planners and policymakers to enhance roadway safety equitably and cost-effectively.

Retrieval-augmented generation (RAG) systems often rely on static retrieval, limiting adaptation to evolving intent and content drift. We introduce Dynamic Memory Alignment (DMA), an online learning framework that systematically incorporates multi-granularity human feedback to align ranking in interactive settings. DMA organizes document-, list-, and response-level signals into a coherent learning pipeline: supervised training for pointwise and listwise rankers, policy optimization driven by response-level preferences, and knowledge distillation into a lightweight scorer for low-latency serving. Throughout this paper, memory refers to the model's working memory, which is the entire context visible to the LLM for In-Context Learning. We adopt a dual-track evaluation protocol mirroring deployment: (i) large-scale online A/B ablations to isolate the utility of each feedback source, and (ii) few-shot offline tests on knowledge-intensive benchmarks. Online, a multi-month industrial deployment further shows substantial improvements in human engagement. Offline, DMA preserves competitive foundational retrieval while yielding notable gains on conversational QA (TriviaQA, HotpotQA). Taken together, these results position DMA as a principled approach to feedback-driven, real-time adaptation in RAG without sacrificing baseline capability.

Food banks are crucial for alleviating food insecurity, but their effectiveness hinges on accurately forecasting highly volatile in-kind donations to ensure equitable and efficient resource distribution. Traditional forecasting models often fail to maintain consistent accuracy due to unpredictable fluctuations and concept drift driven by seasonal variations and natural disasters such as hurricanes in the Southeastern U.S. and wildfires in the West Coast. To address these challenges, we propose FoodRL, a novel reinforcement learning (RL) based metalearning framework that clusters and dynamically weights diverse forecasting models based on recent performance and contextual information. Evaluated on multi-year data from two structurally distinct U.S. food banks-one large regional West Coast food bank affected by wildfires and another state-level East Coast food bank consistently impacted by hurricanes, FoodRL consistently outperforms baseline methods, particularly during periods of disruption or decline. By delivering more reliable and adaptive forecasts, FoodRL can facilitate the redistribution of food equivalent to 1.7 million additional meals annually, demonstrating its significant potential for social impact as well as adaptive ensemble learning for humanitarian supply chains.

We introduce theoretically grounded Continuous Semi-Quantum Boltzmann Machines (CSQBMs) that supports continuous-action reinforcement learning. By combining exponential-family priors over visible units with quantum Boltzmann distributions over hidden units, CSQBMs yield a hybrid quantum-classical model that reduces qubit requirements while retaining strong expressiveness. Crucially, gradients with respect to continuous variables can be computed analytically, enabling direct integration into Actor-Critic algorithms. Building on this, we propose a continuous Q-learning framework that replaces global maximization by efficient sampling from the CSQBM distribution, thereby overcoming instability issues in continuous control.

Determining the binding pose of a ligand to a protein, known as molecular docking, is a fundamental task in drug discovery. Generative approaches promise faster, improved, and more diverse pose sampling than physics-based methods, but are often hindered by chemically implausible outputs, poor generalisability, and high computational cost. To address these challenges, we introduce a novel fragmentation scheme, leveraging inductive biases from structural chemistry, to decompose ligands into rigid-body fragments. Building on this decomposition, we present SigmaDock, an SE(3) Riemannian diffusion model that generates poses by learning to reassemble these rigid bodies within the binding pocket. By operating at the level of fragments in SE(3), SigmaDock exploits well-established geometric priors while avoiding overly complex diffusion processes and unstable training dynamics. Experimentally, we show SigmaDock achieves state-of-the-art performance, reaching Top-1 success rates (RMSD<2 & PB-valid) above 79.9% on the PoseBusters set, compared to 12.7-30.8% reported by recent deep learning approaches, whilst demonstrating consistent generalisation to unseen proteins. SigmaDock is the first deep learning approach to surpass classical physics-based docking under the PB train-test split, marking a significant leap forward in the reliability and feasibility of deep learning for molecular modelling.

The emergence of Software-Defined Vehicles (SDVs) marks a paradigm shift in the automotive industry, where software now plays a pivotal role in defining vehicle functionality, enabling rapid innovation of modern vehicles. Developing SDV-specific applications demands advanced tools to streamline code generation and improve development efficiency. In recent years, general-purpose large language models (LLMs) have demonstrated transformative potential across domains. Still, restricted access to proprietary model architectures hinders their adaption to specific tasks like SDV code generation. In this study, we propose using prompts, a common and basic strategy to interact with LLMs and redirect their responses. Using only system prompts with an appropriate and efficient prompt structure designed using advanced prompt engineering techniques, LLMs can be crafted without requiring a training session or access to their base design. This research investigates the extensive experiments on different models by applying various prompting techniques, including bare models, using a benchmark specifically created to evaluate LLMs' performance in generating SDV code. The results reveal that the model with a few-shot prompting strategy outperforms the others in adjusting the LLM answers to match the expected outcomes based on quantitative metrics.

In molecular property prediction, the most valuable compounds (e.g., high potency) often occupy sparse regions of the target space. Standard Graph Neural Networks (GNNs) commonly optimize for the average error, underperforming on these uncommon but critical cases, with existing oversampling methods often distorting molecular topology. In this paper, we introduce SPECTRA, a Spectral Target-Aware graph augmentation framework that generates realistic molecular graphs in the spectral domain. SPECTRA (i) reconstructs multi-attribute molecular graphs from SMILES; (ii) aligns molecule pairs via (Fused) Gromov-Wasserstein couplings to obtain node correspondences; (iii) interpolates Laplacian eigenvalues, eigenvectors and node features in a stable share-basis; and (iv) reconstructs edges to synthesize physically plausible intermediates with interpolated targets. A rarity-aware budgeting scheme, derived from a kernel density estimation of labels, concentrates augmentation where data are scarce. Coupled with a spectral GNN using edge-aware Chebyshev convolutions, SPECTRA densifies underrepresented regions without degrading global accuracy. On benchmarks, SPECTRA consistently improves error in relevant target ranges while maintaining competitive overall MAE, and yields interpretable synthetic molecules whose structure reflects the underlying spectral geometry. Our results demonstrate that spectral, geometry-aware augmentation is an effective and efficient strategy for imbalanced molecular property regression.

Antimicrobial peptides have emerged as promising molecules to combat antimicrobial resistance. However, fragmented datasets, inconsistent annotations, and the lack of standardized benchmarks hinder computational approaches and slow down the discovery of new candidates. To address these challenges, we present the Expanded Standardized Collection for Antimicrobial Peptide Evaluation (ESCAPE), an experimental framework integrating over 80.000 peptides from 27 validated repositories. Our dataset separates antimicrobial peptides from negative sequences and incorporates their functional annotations into a biologically coherent multilabel hierarchy, capturing activities across antibacterial, antifungal, antiviral, and antiparasitic classes. Building on ESCAPE, we propose a transformer-based model that leverages sequence and structural information to predict multiple functional activities of peptides. Our method achieves up to a 2.56% relative average improvement in mean Average Precision over the second-best method adapted for this task, establishing a new state-of-the-art multilabel peptide classification. ESCAPE provides a comprehensive and reproducible evaluation framework to advance AI-driven antimicrobial peptide research.

Biomedical image segmentation is critical for precise structure delineation and downstream analysis. Traditional methods often struggle with noisy data, while deep learning models such as U-Net have set new benchmarks in segmentation performance. nnU-Net further automates model configuration, making it adaptable across datasets without extensive tuning. However, it requires a substantial amount of annotated data for cross-validation, posing a challenge when only raw images but no labels are available. Large foundation models offer zero-shot generalizability, but may underperform on specific datasets with unique characteristics, limiting their direct use for analysis. This work addresses these bottlenecks by proposing a data-centric AI workflow that leverages active learning and pseudo-labeling to combine the strengths of traditional neural networks and large foundation models while minimizing human intervention. The pipeline starts by generating pseudo-labels from a foundation model, which are then used for nnU-Net's self-configuration. Subsequently, a representative core-set is selected for minimal manual annotation, enabling effective fine-tuning of the nnU-Net model. This approach significantly reduces the need for manual annotations while maintaining competitive performance, providing an accessible solution for biomedical researchers to apply state-of-the-art AI techniques in their segmentation tasks. The code is available at https://github.com/MMV-Lab/AL_BioMed_img_seg.

Generalization in neural networks refers to the phenomenon where trained models tend to perform well on unseen test sets. This is surprising since neural networks have enough parameters to fit any dataset, even to random labels or random noise [30]. Existing guarantees on generalization require limiting model capacity, forcing low complexity solutions to fit the data [27, 3]; these bounds generally do not apply to overparameterized neural networks. This has inspired the volume hypothesis, which proposes generalization arises from the loss landscape. The hypothesis states the volume of parameter space occupied by generalization minima is significantly larger than the volumes of other minima, and thus any procedure that minimizes the training loss is likely to find good minima.