C. Ye

Peter St. John, Dejun Lin, Polina Binder et al.

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language models (pLM) training on hundreds of graphical processing units (GPUs). We introduce the BioNeMo Framework to facilitate the training of computational biology and chemistry AI models across hundreds of GPUs. Its modular design allows the integration of individual components, such as data loaders, into existing workflows and is open to community contributions. We detail technical features of the BioNeMo Framework through use cases such as pLM pre-training and fine-tuning. On 256 NVIDIA A100s, BioNeMo Framework trains a three billion parameter BERT-based pLM on over one trillion tokens in 4.2 days. The BioNeMo Framework is open-source and free for everyone to use.

Tianlong Yu, Chenghang Ye, Zheyu Yang et al.

The SEAR Dataset is a novel multimodal resource designed to study the emerging threat of social engineering (SE) attacks orchestrated through augmented reality (AR) and multimodal large language models (LLMs). This dataset captures 180 annotated conversations across 60 participants in simulated adversarial scenarios, including meetings, classes and networking events. It comprises synchronized AR-captured visual/audio cues (e.g., facial expressions, vocal tones), environmental context, and curated social media profiles, alongside subjective metrics such as trust ratings and susceptibility assessments. Key findings reveal SEAR's alarming efficacy in eliciting compliance (e.g., 93.3% phishing link clicks, 85% call acceptance) and hijacking trust (76.7% post-interaction trust surge). The dataset supports research in detecting AR-driven SE attacks, designing defensive frameworks, and understanding multimodal adversarial manipulation. Rigorous ethical safeguards, including anonymization and IRB compliance, ensure responsible use. The SEAR dataset is available at https://github.com/INSLabCN/SEAR-Dataset.

Max Hopkins, Sihan Liu, Christopher Ye et al.

The epidemic failure of replicability across empirical science and machine learning has recently motivated the formal study of replicable learning algorithms [Impagliazzo et al. (2022)]. In batch settings where data comes from a fixed i.i.d. source (e.g., hypothesis testing, supervised learning), the design of data-efficient replicable algorithms is now more or less understood. In contrast, there remain significant gaps in our knowledge for control settings like reinforcement learning where an agent must interact directly with a shifting environment. Karbasi et. al show that with access to a generative model of an environment with $S$ states and $A$ actions (the RL 'batch setting'), replicably learning a near-optimal policy costs only $\tilde{O}(S^2A^2)$ samples. On the other hand, the best upper bound without a generative model jumps to $\tilde{O}(S^7 A^7)$ [Eaton et al. (2024)] due to the substantial difficulty of environment exploration. This gap raises a key question in the broader theory of replicability: Is replicable exploration inherently more expensive than batch learning? Is sample-efficient replicable RL even possible? In this work, we (nearly) resolve this problem (for low-horizon tabular MDPs): exploration is not a significant barrier to replicable learning! Our main result is a replicable RL algorithm on $\tilde{O}(S^2A)$ samples, bridging the gap between the generative and episodic settings. We complement this with a matching $\tildeΩ(S^2A)$ lower bound in the generative setting (under the common parallel sampling assumption) and an unconditional lower bound in the episodic setting of $\tildeΩ(S^2)$ showcasing the near-optimality of our algorithm with respect to the state space $S$.

Max Hopkins, Russell Impagliazzo, Christopher Ye

Replicability, introduced by (Impagliazzo et al. STOC '22), is the notion that algorithms should remain stable under a resampling of their inputs (given access to shared randomness). While a strong and interesting notion of stability, the cost of replicability can be prohibitive: there is no replicable algorithm, for instance, for tasks as simple as threshold learning (Bun et al. STOC '23). Given such strong impossibility results we ask: under what approximate notions of replicability is learning possible? In this work, we propose three natural relaxations of replicability in the context of PAC learning: (1) Pointwise: the learner must be consistent on any fixed input, but not across all inputs simultaneously, (2) Approximate: the learner must output hypotheses that classify most of the distribution consistently, (3) Semi: the algorithm is fully replicable, but may additionally use shared unlabeled samples. In all three cases, for constant replicability parameters, we obtain sample-optimal agnostic PAC learners: (1) and (2) are achievable for ``free" using $Θ(d/α^2)$ samples, while (3) requires $Θ(d^2/α^2)$ labeled samples.

Max Hopkins, Russell Impagliazzo, Daniel Kane et al.

The replicability crisis is a major issue across nearly all areas of empirical science, calling for the formal study of replicability in statistics. Motivated in this context, [Impagliazzo, Lei, Pitassi, and Sorrell STOC 2022] introduced the notion of replicable learning algorithms, and gave basic procedures for $1$-dimensional tasks including statistical queries. In this work, we study the computational and statistical cost of replicability for several fundamental high dimensional statistical tasks, including multi-hypothesis testing and mean estimation. Our main contribution establishes a computational and statistical equivalence between optimal replicable algorithms and high dimensional isoperimetric tilings. As a consequence, we obtain matching sample complexity upper and lower bounds for replicable mean estimation of distributions with bounded covariance, resolving an open problem of [Bun, Gaboardi, Hopkins, Impagliazzo, Lei, Pitassi, Sivakumar, and Sorrell, STOC2023] and for the $N$-Coin Problem, resolving a problem of [Karbasi, Velegkas, Yang, and Zhou, NeurIPS2023] up to log factors. While our equivalence is computational, allowing us to shave log factors in sample complexity from the best known efficient algorithms, efficient isoperimetric tilings are not known. To circumvent this, we introduce several relaxed paradigms that do allow for sample and computationally efficient algorithms, including allowing pre-processing, adaptivity, and approximate replicability. In these cases we give efficient algorithms matching or beating the best known sample complexity for mean estimation and the coin problem, including a generic procedure that reduces the standard quadratic overhead of replicability to linear in expectation.