机器学习（ML）算法在帮助不同学科和机构的科学社区解决大型和多样化的数据问题方面表现出了增长的趋势。但是，许多可用的ML工具在编程方面要求且计算成本高昂。 MlexChange项目旨在建立一个配备有能力工具的协作平台，该平台使科学家和设施使用者没有深刻的ML背景来使用ML和计算资源进行科学发现。在高水平上，我们针对完整的用户体验，在该体验中，可以通过Web应用程序可以轻松获得管理和交换ML算法，工作流和数据。到目前为止，我们已经构建了四个主要组件，即中央职位管理器，集中式内容注册表，用户门户和搜索引擎，并成功地将这些组件部署到了测试服务器上。由于每个组件都是一个独立的容器，因此可以轻松地在不同尺度的服务器上部署整个平台或其个人服务，从笔记本电脑（通常是单个用户）到高性能群集（HPC）（同时）通过许多用户。因此，MlexChange使用方案使灵活性变得灵活 - 用户可以从远程服务器访问服务和资源，也可以在其本地网络中运行整个平台或其个人服务。

在过去的几十年中，人工智能（AI）和更具体地进行机械学习的应用，对物理科学进行了显着扩展。特别是，科学知情的AI或科学AI从专注于数据分析到现在控制闭环自主系统中的实验设计，仿真，执行和分析。客串（闭环自主材料勘探和优化）算法采用科学AI来解决两项任务：学习材料系统的组成结构关系，鉴定具有最佳功能性的材料组合物。通过对此进行整合，对构图相图进行了筛选的加速材料，导致发现最佳相变存储器材料。这一成功的关键是能够引导后续测量来最大化构图结构关系或相位图的知识。在这项工作中，我们调查将不同水平的先前物理知识纳入Careo的自主阶段映射的益处。这包括使用来自AFLOW存储库的AB-Initio相位边界数据，这些数据已被示出为在作为先前使用时优化Careo的搜索。

State-of-the-art automatic augmentation methods (e.g., AutoAugment and RandAugment) for visual recognition tasks diversify training data using a large set of augmentation operations. The range of magnitudes of many augmentation operations (e.g., brightness and contrast) is continuous. Therefore, to make search computationally tractable, these methods use fixed and manually-defined magnitude ranges for each operation, which may lead to sub-optimal policies. To answer the open question on the importance of magnitude ranges for each augmentation operation, we introduce RangeAugment that allows us to efficiently learn the range of magnitudes for individual as well as composite augmentation operations. RangeAugment uses an auxiliary loss based on image similarity as a measure to control the range of magnitudes of augmentation operations. As a result, RangeAugment has a single scalar parameter for search, image similarity, which we simply optimize via linear search. RangeAugment integrates seamlessly with any model and learns model- and task-specific augmentation policies. With extensive experiments on the ImageNet dataset across different networks, we show that RangeAugment achieves competitive performance to state-of-the-art automatic augmentation methods with 4-5 times fewer augmentation operations. Experimental results on semantic segmentation, object detection, foundation models, and knowledge distillation further shows RangeAugment's effectiveness.

Differentiable Search Indices (DSIs) encode a corpus of documents in the parameters of a model and use the same model to map queries directly to relevant document identifiers. Despite the strong performance of DSI models, deploying them in situations where the corpus changes over time is computationally expensive because reindexing the corpus requires re-training the model. In this work, we introduce DSI++, a continual learning challenge for DSI to incrementally index new documents while being able to answer queries related to both previously and newly indexed documents. Across different model scales and document identifier representations, we show that continual indexing of new documents leads to considerable forgetting of previously indexed documents. We also hypothesize and verify that the model experiences forgetting events during training, leading to unstable learning. To mitigate these issues, we investigate two approaches. The first focuses on modifying the training dynamics. Flatter minima implicitly alleviate forgetting, so we optimize for flatter loss basins and show that the model stably memorizes more documents (+12\%). Next, we introduce a generative memory to sample pseudo-queries for documents and supplement them during continual indexing to prevent forgetting for the retrieval task. Extensive experiments on novel continual indexing benchmarks based on Natural Questions (NQ) and MS MARCO demonstrate that our proposed solution mitigates forgetting by a significant margin. Concretely, it improves the average Hits@10 by $+21.1\%$ over competitive baselines for NQ and requires $6$ times fewer model updates compared to re-training the DSI model for incrementally indexing five corpora in a sequence.

Many real-world reinforcement learning tasks require control of complex dynamical systems that involve both costly data acquisition processes and large state spaces. In cases where the transition dynamics can be readily evaluated at specified states (e.g., via a simulator), agents can operate in what is often referred to as planning with a \emph{generative model}. We propose the AE-LSVI algorithm for best-policy identification, a novel variant of the kernelized least-squares value iteration (LSVI) algorithm that combines optimism with pessimism for active exploration (AE). AE-LSVI provably identifies a near-optimal policy \emph{uniformly} over an entire state space and achieves polynomial sample complexity guarantees that are independent of the number of states. When specialized to the recently introduced offline contextual Bayesian optimization setting, our algorithm achieves improved sample complexity bounds. Experimentally, we demonstrate that AE-LSVI outperforms other RL algorithms in a variety of environments when robustness to the initial state is required.

Spurious correlations in training data often lead to robustness issues since models learn to use them as shortcuts. For example, when predicting whether an object is a cow, a model might learn to rely on its green background, so it would do poorly on a cow on a sandy background. A standard dataset for measuring state-of-the-art on methods mitigating this problem is Waterbirds. The best method (Group Distributionally Robust Optimization - GroupDRO) currently achieves 89\% worst group accuracy and standard training from scratch on raw images only gets 72\%. GroupDRO requires training a model in an end-to-end manner with subgroup labels. In this paper, we show that we can achieve up to 90\% accuracy without using any sub-group information in the training set by simply using embeddings from a large pre-trained vision model extractor and training a linear classifier on top of it. With experiments on a wide range of pre-trained models and pre-training datasets, we show that the capacity of the pre-training model and the size of the pre-training dataset matters. Our experiments reveal that high capacity vision transformers perform better compared to high capacity convolutional neural networks, and larger pre-training dataset leads to better worst-group accuracy on the spurious correlation dataset.

A reliable critic is central to on-policy actor-critic learning. But it becomes challenging to learn a reliable critic in a multi-agent sparse reward scenario due to two factors: 1) The joint action space grows exponentially with the number of agents 2) This, combined with the reward sparseness and environment noise, leads to large sample requirements for accurate learning. We show that regularising the critic with spectral normalization (SN) enables it to learn more robustly, even in multi-agent on-policy sparse reward scenarios. Our experiments show that the regularised critic is quickly able to learn from the sparse rewarding experience in the complex SMAC and RWARE domains. These findings highlight the importance of regularisation in the critic for stable learning.

Spectral risk objectives - also called $L$-risks - allow for learning systems to interpolate between optimizing average-case performance (as in empirical risk minimization) and worst-case performance on a task. We develop stochastic algorithms to optimize these quantities by characterizing their subdifferential and addressing challenges such as biasedness of subgradient estimates and non-smoothness of the objective. We show theoretically and experimentally that out-of-the-box approaches such as stochastic subgradient and dual averaging are hindered by bias and that our approach outperforms them.

Sequence models based on linear state spaces (SSMs) have recently emerged as a promising choice of architecture for modeling long range dependencies across various modalities. However, they invariably rely on discretization of a continuous state space, which complicates their presentation and understanding. In this work, we dispose of the discretization step, and propose a model based on vanilla Diagonal Linear RNNs ($\mathrm{DLR}$). We empirically show that $\mathrm{DLR}$ is as performant as previously-proposed SSMs in the presence of strong supervision, despite being conceptually much simpler. Moreover, we characterize the expressivity of SSMs (including $\mathrm{DLR}$) and attention-based models via a suite of $13$ synthetic sequence-to-sequence tasks involving interactions over tens of thousands of tokens, ranging from simple operations, such as shifting an input sequence, to detecting co-dependent visual features over long spatial ranges in flattened images. We find that while SSMs report near-perfect performance on tasks that can be modeled via $\textit{few}$ convolutional kernels, they struggle on tasks requiring $\textit{many}$ such kernels and especially when the desired sequence manipulation is $\textit{context-dependent}$. For example, $\mathrm{DLR}$ learns to perfectly shift a $0.5M$-long input by an arbitrary number of positions but fails when the shift size depends on context. Despite these limitations, $\mathrm{DLR}$ reaches high performance on two higher-order reasoning tasks $\mathrm{ListOpsSubTrees}$ and $\mathrm{PathfinderSegmentation}\text{-}\mathrm{256}$ with input lengths $8K$ and $65K$ respectively, and gives encouraging performance on $\mathrm{PathfinderSegmentation}\text{-}\mathrm{512}$ with input length $262K$ for which attention is not a viable choice.

The primary obstacle to developing technologies for low-resource languages is the lack of representative, usable data. In this paper, we report the deployment of technology-driven data collection methods for creating a corpus of more than 60,000 translations from Hindi to Gondi, a low-resource vulnerable language spoken by around 2.3 million tribal people in south and central India. During this process, we help expand information access in Gondi across 2 different dimensions (a) The creation of linguistic resources that can be used by the community, such as a dictionary, children's stories, Gondi translations from multiple sources and an Interactive Voice Response (IVR) based mass awareness platform; (b) Enabling its use in the digital domain by developing a Hindi-Gondi machine translation model, which is compressed by nearly 4 times to enable it's edge deployment on low-resource edge devices and in areas of little to no internet connectivity. We also present preliminary evaluations of utilizing the developed machine translation model to provide assistance to volunteers who are involved in collecting more data for the target language. Through these interventions, we not only created a refined and evaluated corpus of 26,240 Hindi-Gondi translations that was used for building the translation model but also engaged nearly 850 community members who can help take Gondi onto the internet.