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Ivan D. Ilin

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#machine learning Preprint Oct 2026

QK-Wanda: Coupling Queries and Keys for Unstructured Pruning

Wanda (Sun et al., 2024) prunes large language models by scoring weights independently within each linear projection, although queries and keys interact through dot products. We introduce QK-Wanda, which scores query and key weights by their individual deletion costs under an unmasked pre-RoPE reconstruction objective....

Ivan D. Ilin, Peter Richtárik · 0 citations

MMAI Gym for Science: Training Liquid Foundation Models for Drug Discovery

Across essential drug discovery tasks - including molecular optimization, ADMET property prediction, retrosynthesis, drug-target activity prediction, and functional group reasoning - the resulting model achieves near specialist-level performance and, in the majority of settings, surpasses larger models, while remaining...

Maksim Kuznetsov, Z. Miftahutdinov, Shayakhmetov Rim et al. · 1 citation
Jul 2026

URSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis Assessment

The URSA (Utilitarian RetroSynthesis Assessment) evaluation framework is introduced that provides the opportunity to benchmark the synthetic routes not only from a formal perspective, such as convergence to commercially available starting materials, but also from a chemical plausibility perspective, mimicking the way e...

B. Zagribelnyy, Ivan D. Ilin, N. Bondarev et al. · 0 citations
Jul 2026

Super-Tuning: From Activation-Aware Pruning to Sparse Fine-Tuning

The results suggest that simple pruning-inspired orderings can provide useful fixed sparse supports for PEFT, especially when combined with low-rank adapters.

Ivan D. Ilin, Philip Zmushko, Peter Richtárik · 0 citations
#artificial intelligence Preprint Aug 2026

Training Chemical Plausibility-Aware Large Language Models for Single-Step Retrosynthesis

This work introduces Top-K prompting as a robust training and inference paradigm to better capture diverse, plausible reaction predictions and establishes Top-K, plausibility-aware training as a practical new direction for robust future LLM-based synthesis planning.

B. Zagribelnyy, Ivan D. Ilin, N. Bondarev et al. · 1 citation

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