Data assimilation is a vital component in modern global medium-range weather forecasting systems to obtain the best estimation of the atmospheric state by combining the short-term forecast and observations. Recently, AI-based data assimilation approaches have attracted increasing attention for their significant advantages over traditional techniques in terms of computational consumption. However, existing AI-based data assimilation methods can only handle observations with a specific resolution, lacking the compatibility and generalization ability to assimilate observations with other resolutions. Considering that complex real-world observations often have different resolutions, we propose the \textit{\textbf{Fourier Neural Processes}} (FNP) for \textit{arbitrary-resolution data assimilation} in this paper. Leveraging the efficiency of the designed modules and flexible structure of neural processes, FNP achieves state-of-the-art results in assimilating observations with varying resolutions, and also exhibits increasing advantages over the counterparts as the resolution and the amount of observations increase. Moreover, our FNP trained on a fixed resolution can directly handle the assimilation of observations with out-of-distribution resolutions and the observational information reconstruction task without additional fine-tuning, demonstrating its excellent generalization ability across data resolutions as well as across tasks.

Generative models on discrete state-spaces have a wide range of potential applications, particularly in the domain of natural sciences. In continuous state-spaces, controllable and flexible generation of samples with desired properties has been realized using guidance on diffusion and flow models. However, these guidance approaches are not readily amenable to discrete state-space models. Consequently, we introduce a general and principled method for applying guidance on such models. Our method depends on leveraging continuous-time Markov processes on discrete state-spaces, which unlocks computational tractability for sampling from a desired guided distribution. We demonstrate the utility of our approach, Discrete Guidance, on a range of applications including guided generation of images, small-molecules, DNA sequences and protein sequences.

Deep image clustering methods are typically evaluated on small-scale balanced classification datasets while feature-based $k$-means has been applied on proprietary billion-scale datasets. In this work, we explore the performance of feature-based deep clustering approaches on large-scale benchmarks whilst disentangling the impact of the following data-related factors: i) class imbalance, ii) class granularity, iii) easy-to-recognize classes, and iv) the ability to capture multiple classes. Consequently, we develop multiple new benchmarks based on ImageNet21K. Our experimental analysis reveals that feature-based $k$-means is often unfairly evaluated on balanced datasets. However, deep clustering methods outperform $k$-means across most large-scale benchmarks. Interestingly, $k$-means underperforms on easy-to-classify benchmarks by large margins. The performance gap, however, diminishes on the highest data regimes such as ImageNet21K. Finally, we find that non-primary cluster predictions capture meaningful classes (i.e. coarser classes).

Data plays a fundamental role in the training of Large Language Models (LLMs). While attention has been paid to the collection and composition of datasets, determining the data sampling strategy in training remains an open question. Most LLMs are trained with a simple strategy, random sampling. However, this sampling strategy ignores the unbalanced nature of training data distribution, which can be sub-optimal. In this paper, we propose ClusterClip Sampling to balance the text distribution of training data for better model training. Specifically, ClusterClip Sampling utilizes data clustering to reflect the data distribution of the training set and balances the common samples and rare samples during training based on the cluster results. A repetition clip operation is introduced to mitigate the overfitting issue led by samples from certain clusters. Extensive experiments validate the effectiveness of ClusterClip Sampling, which outperforms random sampling and other cluster-based sampling variants under various training datasets and large language models.

In the algorithm selection research, the discussion surrounding algorithm features has been significantly overshadowed by the emphasis on problem features. Although a few empirical studies have yielded evidence regarding the effectiveness of algorithm features, the potential benefits of incorporating algorithm features into algorithm selection models and their suitability for different scenarios remain unclear. In this paper, we address this gap by proposing the first provable guarantee for algorithm selection based on algorithm features, taking a generalization perspective. We analyze the benefits and costs associated with algorithm features and investigate how the generalization error is affected by different factors. Specifically, we examine adaptive and predefined algorithm features under transductive and inductive learning paradigms, respectively, and derive upper bounds for the generalization error based on their model's Rademacher complexity. Our theoretical findings not only provide tight upper bounds, but also offer analytical insights into the impact of various factors, such as the training scale of problem instances and candidate algorithms, model parameters, feature values, and distributional differences between the training and test data. Notably, we demonstrate how models will benefit from algorithm features in complex scenarios involving many algorithms, and proves the positive correlation between generalization error bound and $\chi^2$-divergence of distributions.

Out-of-distribution (OOD) generalization in the graph domain is challenging due to complex distribution shifts and a lack of environmental contexts. Recent methods attempt to enhance graph OOD generalization by generating flat environments. However, such flat environments come with inherent limitations to capture more complex data distributions. Considering the DrugOOD dataset, which contains diverse training environments (e.g., scaffold, size, etc.), flat contexts cannot sufficiently address its high heterogeneity. Thus, a new challenge is posed to generate more semantically enriched environments to enhance graph invariant learning for handling distribution shifts. In this paper, we propose a novel approach to generate hierarchical semantic environments for each graph. Firstly, given an input graph, we explicitly extract variant subgraphs from the input graph to generate proxy predictions on local environments. Then, stochastic attention mechanisms are employed to re-extract the subgraphs for regenerating global environments in a hierarchical manner. In addition, we introduce a new learning objective that guides our model to learn the diversity of environments within the same hierarchy while maintaining consistency across different hierarchies. This approach enables our model to consider the relationships between environments and facilitates robust graph invariant learning. Extensive experiments on real-world graph data have demonstrated the effectiveness of our framework. Particularly, in the challenging dataset DrugOOD, our method achieves up to 1.29% and 2.83% improvement over the best baselines on IC50 and EC50 prediction tasks, respectively.

Key\-value separation is used in LSM\-tree to stored large value in separate log files to reduce write amplification, but requires garbage collection to garbage collect invalid values. Existing garbage collection techniques in LSM\-tree typically adopt static parameter based garbage collection to garbage collect obsolete values which struggles to achieve low write amplification and it's challenging to find proper parameter for garbage collection triggering. In this work we introduce DumpKV, which introduces learning based lifetime aware garbage collection with dynamic lifetime adjustment to do efficient garbage collection to achieve lower write amplification. DumpKV manages large values using trained lightweight model with features suitable for various application based on past write access information of keys to give lifetime prediction for each individual key to enable efficient garbage collection. To reduce interference to write throughput DumpKV conducts feature collection during L0\-L1 compaction leveraging the fact that LSM\-tree is small under KV separation. Experimental results show that DumpKV achieves lower write amplification by 38\%\-73\% compared to existing key\-value separation garbage collection LSM\-tree stores with small feature storage overhead.

The Transformer model has been pivotal in advancing fields such as natural language processing, speech recognition, and computer vision. However, a critical limitation of this model is its quadratic computational and memory complexity relative to the sequence length, which constrains its application to longer sequences. This is especially crucial in medical imaging where high-resolution images can reach gigapixel scale. Efforts to address this issue have predominantely focused on complex techniques, such as decomposing the softmax operation integral to the Transformer's architecture. This paper addresses this quadratic computational complexity of Transformer models and introduces a remarkably simple and effective method that circumvents this issue by eliminating the softmax function from the attention mechanism and adopting a sequence normalization technique for the key, query, and value tokens. Coupled with a reordering of matrix multiplications this approach reduces the memory- and compute complexity to a linear scale. We evaluate this approach across various medical imaging datasets comprising fundoscopic, dermascopic, radiologic and histologic imaging data. Our findings highlight that these models exhibit a comparable performance to traditional transformer models, while efficiently handling longer sequences.

Transformers have revolutionized image modeling tasks with adaptations like DeIT, Swin, SVT, Biformer, STVit, and FDVIT. However, these models often face challenges with inductive bias and high quadratic complexity, making them less efficient for high-resolution images. State space models (SSMs) such as Mamba, V-Mamba, ViM, and SiMBA offer an alternative to handle high resolution images in computer vision tasks. These SSMs encounter two major issues. First, they become unstable when scaled to large network sizes. Second, although they efficiently capture global information in images, they inherently struggle with handling local information. To address these challenges, we introduce Heracles, a novel SSM that integrates a local SSM, a global SSM, and an attention-based token interaction module. Heracles leverages a Hartely kernel-based state space model for global image information, a localized convolutional network for local details, and attention mechanisms in deeper layers for token interactions. Our extensive experiments demonstrate that Heracles-C-small achieves state-of-the-art performance on the ImageNet dataset with 84.5\% top-1 accuracy. Heracles-C-Large and Heracles-C-Huge further improve accuracy to 85.9\% and 86.4\%, respectively. Additionally, Heracles excels in transfer learning tasks on datasets such as CIFAR-10, CIFAR-100, Oxford Flowers, and Stanford Cars, and in instance segmentation on the MSCOCO dataset. Heracles also proves its versatility by achieving state-of-the-art results on seven time-series datasets, showcasing its ability to generalize across domains with spectral data, capturing both local and global information. The project page is available at this link.\url{https://github.com/badripatro/heracles}

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements $(\boldsymbol{\mu}, \boldsymbol{\nu})$ are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a $\textit{global}$ transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.