Luke Zhang

Rishit Dagli, Abir Harrasse, Luke Zhang et al.

Training Data Attribution (TDA) seeks to trace a model's predictions back to its training data. The gold standard for TDA relies on causal interventions, observing how a model changes when data is added or removed, but repeated retraining is computationally challenging for Large Language Models (LLMs). Consequently, most approaches approximate this effect in the parameter space using gradients. However, tracking gradients across billions of parameters is not only prohibitively expensive but relies on local approximations. In this work, we propose a shift: rather than estimating parameter changes, we model the functional effect of training data in the activation space. We introduce STRIDE (Steering-based Training Data Influence Decomposition), a framework that formulates TDA as a sparse recovery problem in the spirit of compressive sensing. STRIDE learns lightweight "steering operators" that mimic the behavioral shift caused by training on data subsets. By measuring how these operators perturb test predictions, we recover individual training example influences via sparse linear decomposition. STRIDE achieves state-of-the-art for LLM pre-training attribution while being an order of magnitude ($13\times$) faster than previous art. We further validate its practical utility through downstream applications including data selection, data contamination, and qualitative analysis.

Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge et al.

The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of molecular structures. However, decoding a molecular structure from its mass spectrum is exceptionally challenging, even when performed by human experts. As a result, the vast majority of acquired MS/MS spectra remain uninterpreted, thereby limiting our understanding of the underlying (bio)chemical processes. Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym -- the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data. Our benchmark comprises the largest publicly available collection of high-quality labeled MS/MS spectra and defines three MS/MS annotation challenges: de novo molecular structure generation, molecule retrieval, and spectrum simulation. It includes new evaluation metrics and a generalization-demanding data split, therefore standardizing the MS/MS annotation tasks and rendering the problem accessible to the broad machine learning community. MassSpecGym is publicly available at https://github.com/pluskal-lab/MassSpecGym.

Saurav Ghosh, Abdou Sow, Luke Zhang

Humanoid robots are difficult to deploy safely because they have high-dimensional bodies, many collision constraints, and must operate near people and obstacles. Safety filters help by modifying a nominal control action when it may violate collision-avoidance constraints. Still, nominal benchmark scores do not fully show how these filters behave in harder environments. In this work, we study the robustness of SPARK humanoid safety filters through replication and stress testing. We replicate the SPARK benchmark case G1SportMode_D1_WG_SO_v1 in MuJoCo and evaluate RSSA, RSSS, SSA, CBF, PFM, and SMA under controlled random seeds. We also built a post-processing pipeline that converts raw SPARK logs into goal-tracking, minimum-distance, and collision-step metrics. Our results show that some methods track the goal more closely, while others reduce collision steps more effectively. The stress tests further indicate that safety behavior can change under obstacle crowding, noisy distance estimates, and delayed obstacle information. These findings suggest that humanoid autonomy should be evaluated beyond nominal performance, using metrics that expose failure modes before deployment.

Luke Zhang, Justin Vasselli, Aditya Khan et al.

We propose Dynamic Meta-Metrics (DMM), a framework for machine translation evaluation that learns source-sentence conditioned combinations of existing metrics. Rather than relying on a single static ensemble or language-specific weighting, DMM adapts the metric combination based on properties of the source segment. We study hard conditioning, which fits an interpretable combiner per cluster, and an exploratory soft-conditioned extension whose weights vary continuously with source-cluster responsibilities. We evaluate DMM on the WMT Metrics Shared Task data across multiple language pairs using pairwise agreement measures at the system and segment levels. Across settings, MLP-based combinations outperform linear and Gaussian process-based ensembles, and introducing soft conditioning yields gains over linear models.