Expert or not? assessing data quality in offline reinforcement learning

Offline reinforcement learning (RL) learns exclusively from static datasets, without further interaction with the environment. In practice, such datasets vary widely in quality, often mixing expert, suboptimal, and even random trajectories. The choice of algorithm therefore depends on dataset fidelity. Behavior cloning can suffice on high-quality data, whereas mixed- or low-quality data typically benefits from offline RL methods that stitch useful behavior across trajectories. Yet in the wild it is difficult to assess dataset quality a priori because the data's provenance and skill composition are unknown. We address the problem of estimating offline dataset quality without training an agent. We study a spectrum of proxies from simple cumulative rewards to learned value based estimators, and introduce the Bellman Wasserstein distance (BWD), a value aware optimal transport score that measures how dissimilar a dataset's behavioral policy is from a random reference policy. BWD is computed from a behavioral critic and a state conditional OT formulation, requiring no environment interaction or full policy optimization. Across D4RL MuJoCo tasks, BWD strongly correlates with an oracle performance score that aggregates multiple offline RL algorithms, enabling efficient prediction of how well standard agents will perform on a given dataset. Beyond prediction, integrating BWD as a regularizer during policy optimization explicitly pushes the learned policy away from random behavior and improves returns. These results indicate that value aware, distributional signals such as BWD are practical tools for triaging offline RL datasets and policy optimization.

SVRPBench: A Realistic Benchmark for Stochastic Vehicle Routing Problem

Robust routing under uncertainty is central to real-world logistics, yet most benchmarks assume static, idealized settings. We present SVRPBench, the first open benchmark to capture high-fidelity stochastic dynamics in vehicle routing at urban scale. Spanning more than 500 instances with up to 1000 customers, it simulates realistic delivery conditions: time-dependent congestion, log-normal delays, probabilistic accidents, and empirically grounded time windows for residential and commercial clients. Our pipeline generates diverse, constraint-rich scenarios, including multi-depot and multi-vehicle setups. Benchmarking reveals that state-of-the-art RL solvers like POMO and AM degrade by over 20% under distributional shift, while classical and metaheuristic methods remain robust. To enable reproducible research, we release the dataset and evaluation suite. SVRPBench challenges the community to design solvers that generalize beyond synthetic assumptions and adapt to real-world uncertainty.

LoFT: Low-Rank Adaptation That Behaves Like Full Fine-Tuning

Large pre-trained models are commonly adapted to downstream tasks using parameter-efficient fine-tuning methods such as Low-Rank Adaptation (LoRA), which injects small trainable low-rank matrices instead of updating all weights. While LoRA dramatically reduces trainable parameters with little overhead, it can still underperform full fine-tuning in accuracy and often converges more slowly. We introduce LoFT, a novel low-rank adaptation method that behaves like full fine-tuning by aligning the optimizer's internal dynamics with those of updating all model weights. LoFT not only learns weight updates in a low-rank subspace (like LoRA) but also properly projects the optimizer's first and second moments (Adam's momentum and variance) into the same subspace, mirroring full-model updates. By aligning the low-rank update itself with the full update, LoFT eliminates the need for tuning extra hyperparameters, e.g., LoRA scaling factor $\alpha$. Empirically, this approach substantially narrows the performance gap between adapter-based tuning and full fine-tuning and consistently outperforms standard LoRA-style methods, all without increasing inference cost.

MedNNS: Supernet-based Medical Task-Adaptive Neural Network Search

Deep learning (DL) has achieved remarkable progress in the field of medical imaging. However, adapting DL models to medical tasks remains a significant challenge, primarily due to two key factors: (1) architecture selection, as different tasks necessitate specialized model designs, and (2) weight initialization, which directly impacts the convergence speed and final performance of the models. Although transfer learning from ImageNet is a widely adopted strategy, its effectiveness is constrained by the substantial differences between natural and medical images. To address these challenges, we introduce Medical Neural Network Search (MedNNS), the first Neural Network Search framework for medical imaging applications. MedNNS jointly optimizes architecture selection and weight initialization by constructing a meta-space that encodes datasets and models based on how well they perform together. We build this space using a Supernetwork-based approach, expanding the model zoo size by 51x times over previous state-of-the-art (SOTA) methods. Moreover, we introduce rank loss and Fr\'echet Inception Distance (FID) loss into the construction of the space to capture inter-model and inter-dataset relationships, thereby achieving more accurate alignment in the meta-space. Experimental results across multiple datasets demonstrate that MedNNS significantly outperforms both ImageNet pre-trained DL models and SOTA Neural Architecture Search (NAS) methods, achieving an average accuracy improvement of 1.7% across datasets while converging substantially faster. The code and the processed meta-space is available at https://github.com/BioMedIA-MBZUAI/MedNNS.

Broadening Discovery through Structural Models: Multimodal Combination of Local and Structural Properties for Predicting Chemical Features

In recent years, machine learning has profoundly reshaped the field of chemistry, facilitating significant advancements across various applications, including the prediction of molecular properties and the generation of molecular structures. Language models and graph-based models are extensively utilized within this domain, consistently achieving state-of-the-art results across an array of tasks. However, the prevailing practice of representing chemical compounds in the SMILES format -- used by most datasets and many language models -- presents notable limitations as a training data format. In contrast, chemical fingerprints offer a more physically informed representation of compounds, thereby enhancing their suitability for model training. This study aims to develop a language model that is specifically trained on fingerprints. Furthermore, we introduce a bimodal architecture that integrates this language model with a graph model. Our proposed methodology synthesizes these approaches, utilizing RoBERTa as the language model and employing Graph Isomorphism Networks (GIN), Graph Convolutional Networks (GCN) and Graphormer as graph models. This integration results in a significant improvement in predictive performance compared to conventional strategies for tasks such as Quantitative Structure-Activity Relationship (QSAR) and the prediction of nuclear magnetic resonance (NMR) spectra, among others.

Enhance Hyperbolic Representation Learning via Second-order Pooling

Hyperbolic representation learning is well known for its ability to capture hierarchical information. However, the distance between samples from different levels of hierarchical classes can be required large. We reveal that the hyperbolic discriminant objective forces the backbone to capture this hierarchical information, which may inevitably increase the Lipschitz constant of the backbone. This can hinder the full utilization of the backbone's generalization ability. To address this issue, we introduce second-order pooling into hyperbolic representation learning, as it naturally increases the distance between samples without compromising the generalization ability of the input features. In this way, the Lipschitz constant of the backbone does not necessarily need to be large. However, current off-the-shelf low-dimensional bilinear pooling methods cannot be directly employed in hyperbolic representation learning because they inevitably reduce the distance expansion capability. To solve this problem, we propose a kernel approximation regularization, which enables the low-dimensional bilinear features to approximate the kernel function well in low-dimensional space. Finally, we conduct extensive experiments on graph-structured datasets to demonstrate the effectiveness of the proposed method.

FedPeWS: Personalized Warmup via Subnetworks for Enhanced Heterogeneous Federated Learning

Statistical data heterogeneity is a significant barrier to convergence in federated learning (FL). While prior work has advanced heterogeneous FL through better optimization objectives, these methods fall short when there is extreme data heterogeneity among collaborating participants. We hypothesize that convergence under extreme data heterogeneity is primarily hindered due to the aggregation of conflicting updates from the participants in the initial collaboration rounds. To overcome this problem, we propose a warmup phase where each participant learns a personalized mask and updates only a subnetwork of the full model. This personalized warmup allows the participants to focus initially on learning specific subnetworks tailored to the heterogeneity of their data. After the warmup phase, the participants revert to standard federated optimization, where all parameters are communicated. We empirically demonstrate that the proposed personalized warmup via subnetworks (FedPeWS) approach improves accuracy and convergence speed over standard federated optimization methods.

Self-Guiding Exploration for Combinatorial Problems

Large Language Models (LLMs) have become pivotal in addressing reasoning tasks across diverse domains, including arithmetic, commonsense, and symbolic reasoning. They utilize prompting techniques such as Exploration-of-Thought, Decomposition, and Refinement to effectively navigate and solve intricate tasks. Despite these advancements, the application of LLMs to Combinatorial Problems (CPs), known for their NP-hardness and critical roles in logistics and resource management remains underexplored. To address this gap, we introduce a novel prompting strategy: Self-Guiding Exploration (SGE), designed to enhance the performance of solving CPs. SGE operates autonomously, generating multiple thought trajectories for each CP task. It then breaks these trajectories down into actionable subtasks, executes them sequentially, and refines the results to ensure optimal outcomes. We present our research as the first to apply LLMs to a broad range of CPs and demonstrate that SGE outperforms existing prompting strategies by over 27.84% in CP optimization performance. Additionally, SGE achieves a 2.46% higher accuracy over the best existing results in other reasoning tasks (arithmetic, commonsense, and symbolic).

Remove that Square Root: A New Efficient Scale-Invariant Version of AdaGrad

Adaptive methods are extremely popular in machine learning as they make learning rate tuning less expensive. This paper introduces a novel optimization algorithm named KATE, which presents a scale-invariant adaptation of the well-known AdaGrad algorithm. We prove the scale-invariance of KATE for the case of Generalized Linear Models. Moreover, for general smooth non-convex problems, we establish a convergence rate of $O \left(\frac{\log T}{\sqrt{T}} \right)$ for KATE, matching the best-known ones for AdaGrad and Adam. We also compare KATE to other state-of-the-art adaptive algorithms Adam and AdaGrad in numerical experiments with different problems, including complex machine learning tasks like image classification and text classification on real data. The results indicate that KATE consistently outperforms AdaGrad and matches/surpasses the performance of Adam in all considered scenarios.

Reinforcement Learning for Solving Stochastic Vehicle Routing Problem with Time Windows

This paper introduces a reinforcement learning approach to optimize the Stochastic Vehicle Routing Problem with Time Windows (SVRP), focusing on reducing travel costs in goods delivery. We develop a novel SVRP formulation that accounts for uncertain travel costs and demands, alongside specific customer time windows. An attention-based neural network trained through reinforcement learning is employed to minimize routing costs. Our approach addresses a gap in SVRP research, which traditionally relies on heuristic methods, by leveraging machine learning. The model outperforms the Ant-Colony Optimization algorithm, achieving a 1.73% reduction in travel costs. It uniquely integrates external information, demonstrating robustness in diverse environments, making it a valuable benchmark for future SVRP studies and industry application.