Attention sink (AS) is a consistent pattern in transformer attention maps where certain tokens (often special tokens or positional anchors) disproportionately attract attention from other tokens. We show that in transformers, AS is not an architectural artifact, but it is the manifestation of a fundamental geometric principle: the establishment of reference frames that anchor representational spaces. We analyze several architectures and identify three distinct reference frame types, centralized, distributed, and bidirectional, that correlate with the attention sink phenomenon. We show that they emerge during the earliest stages of training as optimal solutions to the problem of establishing stable coordinate systems in high-dimensional spaces. We show the influence of architecture components, particularly position encoding implementations, on the specific type of reference frame. This perspective transforms our understanding of transformer attention mechanisms and provides insights for both architecture design and the relationship with AS.

This position paper argues that there is an urgent need to restructure markets for the information that goes into AI systems. Specifically, producers of information goods (such as journalists, researchers, and creative professionals) need to be able to collectively bargain with AI product builders in order to receive reasonable terms and a sustainable return on the informational value they contribute. We argue that without increased market coordination or collective bargaining on the side of these primary information producers, AI will exacerbate a large-scale "information market failure" that will lead not only to undesirable concentration of capital, but also to a potential "ecological collapse" in the informational commons. On the other hand, collective bargaining in the information economy can create market frictions and aligned incentives necessary for a pro-social, sustainable AI future. We provide concrete actions to support a coalition-based approach to achieve this goal. For example, researchers and developers can establish technical mechanisms such as federated data management tools and explainable data value estimation techniques to inform and facilitate collective bargaining in the information economy. Additionally, regulatory and policy interventions may be introduced to support trusted data intermediary organizations representing guilds or syndicates of information producers.

For regression on the dataset, we perform leave-one-out cross validation. For the single solvents,865 we leave out one solvent at a time. For the full data, we leave out one solvent ramp at a time. We866 measure the performance of the model on each leave-one-out data split, then take the mean of their867 performance across the dataset. We exclude any experiments involving acetonitrile and acetic acid,868 due to the observed side-reactions.

Designing experiments and result interpretations are core scientific competencies, particularly in biology, where researchers perturb complex systems to uncover the underlying systems. Recent efforts to evaluate the scientific capabilities of large language models (LLMs) fail to test these competencies because wet-lab experimentation is prohibitively expensive: in expertise, time and equipment. We introduce SciGym, a first-in-class benchmark that assesses LLMs' iterative experiment design and analysis abilities in open-ended scientific discovery tasks. SciGym overcomes the challenge of wet-lab costs by running a dry lab of biological systems. These models, encoded in Systems Biology Markup Language, are efficient for generating simulated data, making them ideal testbeds for experimentation on realistically complex systems.

Despite recent advances in machine learning, many scientific discoveries in chemistry still rely on manually curated datasets extracted from the scientific literature. Automation of information extraction in specialized chemistry domains has the potential to scale up machine learning applications and improve the quality of predictions, enabling data-driven scientific discoveries at a faster pace. In this paper, we present ChemX, a collection of 10 benchmarking datasets across several domains of chemistry providing a reliable basis for evaluating and fine-tuning automated information extraction methods. The datasets encompassing various properties of small molecules and nanomaterials have been manually extracted from peer-reviewed publications and systematically validated by domain experts through a cross-verification procedure allowing for identification and correction of errors at sources. In order to demonstrate the utility of the resulting datasets, we evaluate the extraction performance of the state-of-the-art large language models (LLMs). Moreover, we design our own agentic approach to take full control of the document preprocessing before LLM-based information extraction.

We study the sample complexity of Bayesian recovery for solving inverse problems with general prior, forward operator and noise distributions. We consider posterior sampling according to an approximate prior P, and establish sufficient conditions for stable and accurate recovery with high probability. Our main result is a non-asymptotic bound that shows that the sample complexity depends on (i) the intrinsic complexity of P, quantified by its approximate covering number, and (ii) concentration bounds for the forward operator and noise distributions. As a key application, we specialize to generative priors, where P is the pushforward of a latent distribution via a Deep Neural Network (DNN). We show that the sample complexity scales log-linearly with the latent dimension k, thus establishing the efficacy of DNN-based priors. Generalizing existing results on deterministic (i.e., non-Bayesian) recovery for the important problem of random sampling with an orthogonal matrix U, we show how the sample complexity is determined by the coherence of U with respect to the support of P. Hence, we establish that coherence plays a fundamental role in Bayesian recovery as well. Overall, our framework unifies and extends prior work, providing rigorous guarantees for the sample complexity of solving Bayesian inverse problems with arbitrary distributions.

This paper addresses the problem of inverse covariance (also known as precision matrix) estimation in high-dimensional settings. Specifically, we focus on two classes of estimators: linear shrinkage estimators with a target proportional to the identity matrix, and estimators derived from data augmentation (DA). Here, DA refers to the common practice of enriching a dataset with artificial samples--typically generated via a generative model or through random transformations of the original data--prior to model fitting. For both classes of estimators, we derive estimators and provide concentration bounds for their quadratic error. This allows for both method comparison and hyperparameter tuning, such as selecting the optimal proportion of artificial samples. On the technical side, our analysis relies on tools from random matrix theory. We introduce a novel deterministic equivalent for generalized resolvent matrices, accommodating dependent samples with specific structure. We support our theoretical results with numerical experiments.

The success of modern multimodal representation learning relies on internet-scale datasets. Due to the low quality of a large fraction of raw web data, data curation has become a critical step in the training pipeline. Filtering using a trained model (i.e., teacher-based filtering) has emerged as a successful solution, leveraging a pre-trained model to compute quality scores. To explain the empirical success of teacher-based filtering, we characterize the performance of filtered contrastive learning under the standard bimodal data generation model. Denoting η (0,1] as the fraction of data with correctly matched modalities among npaired samples, we utilize a linear contrastive learning setup to show a provable benefit of data filtering: (i) the error without filtering is upper and lower bounded by 1/η n, and (ii)the error with teacher-based filtering is upper bounded by 1/ ηn in the large η regime, and by 1/ n in the small ηregime.

Polyak-Ruppert averaging is a widely used technique to achieve the optimal asymptotic variance of stochastic approximation (SA) algorithms, yet its high-probability performance guarantees remain underexplored in general settings. In this paper, we present a general framework for establishing non-asymptotic concentration bounds for the error of averaged SA iterates. Our approach assumes access to individual concentration bounds for the unaveraged iterates and yields a sharp bound on the averaged iterates. We also construct an example, showing the tightness of our result up to constant multiplicative factors. As direct applications, we derive tight concentration bounds for contractive SA algorithms and for algorithms such as temporal difference learning and $Q$-learning with averaging, obtaining new bounds in settings where traditional analysis is challenging.

The outspoken longevity scientist David Sinclair has been predicting that one day, you'll go to the doctor and get a prescription that will make you 10 years younger. Now has learned that he has plans to launch human tests of an oral reprogramming drug as part of a $101 million competition organized by the XPrize Foundation. The foundation is offering cash awards to teams able to "restore" a person to an earlier apparent age, as measured by improvements in immune, cognitive, and muscle function. The grand prize goes to any team able to show a 10-year (or greater) relative improvement after one year of treatment. Reached by phone, Sinclair, a biologist at Harvard Medical School, confirmed that he plans to give an oral drug mixture to volunteers in a bid to seek "evidence for age restoration in humans."