arXiv subjects

Ben Shapira

Publications and source records attributed to Ben Shapira.

4 recordsLinked to original sources

arXiv2026

STAR-VAE: A Scalable Latent-Variable Transformer for Controllable Molecular Generation

Many molecular Transformers lack probabilistic latent variables for posterior inference and latent interpolation. We introduce STAR-VAE, a SELFIES-encoded, Transformer-based, AutoRegressive Variational AutoEncoder combining a bidirectional encoder with an autoregressive decoder pretrained on 79 million PubChem molecules. A property signal jointly conditions the prior, posterior, and decoder, while LoRA adapters support fine-tuning on small datasets without modifying the backbone. STAR-VAE achieves 100% validity and near-perfect novelty under unconditional MOSES sampling, the lowest KL divergence on five of ten GuacaMol descriptors, Spearman \r{ho} = 0.62 at 98% validity for synthetic-accessibility conditioning, and directional docking-score control for three Tartarus protein targets. Across four ChEMBL targets, seed-based posterior sampling recovers target-associated held-out scaffolds while label-conditioned sampling produces structurally diverse outputs. Code is available at https://github.com/BiomedSciAI/STAR-VAE.

cs.LG↗

arXiv2026

StyleAT: Defending Face Recognition Against Semantic Attacks

With face-recognition models now embedded in everyday authentication and surveillance, recent works have pinpointed a critical weakness: these models remain acutely vulnerable to adversarial semantic edits. I.e., adversarially produced semantic alterations to the input, such as slight aging or pose changes, can induce misclassifications. Certain existing attacks are powerful, but they can be computationally costly, rendering them inadequate for developing defenses (e.g., through adversarial training). To fill the gap, we introduce BoundStyle, a potent semantic attack operating in StyleGAN's rich latent space to maximize misclassification rates. Notably, BoundStyle achieves high attack success rates while being ${\sim}{\times}9.5$ faster than existing state-of-the-art attacks, making it suitable for adversarial training. Building on BoundStyle, we develop StyleAT, an efficient adversarial training scheme that incorporates low-budget attack variants yet defends against stronger and unseen semantic attacks. We evaluate on two datasets unseen during training and seven models, and find that StyleAT boosts robust accuracy against state-of-the-art attacks and outperforms common defenses in various settings.

cs.CV↗

arXiv2025

BioVERSE: Representation Alignment of Biomedical Modalities to LLMs for Multi-Modal Reasoning

Recent advances in large language models (LLMs) and biomedical foundation models (BioFMs) have achieved strong results in biological text reasoning, molecular modeling, and single-cell analysis, yet they remain siloed in disjoint embedding spaces, limiting cross-modal reasoning. We present BIOVERSE (Biomedical Vector Embedding Realignment for Semantic Engagement), a two-stage approach that adapts pretrained BioFMs as modality encoders and aligns them with LLMs through lightweight, modality-specific projection layers. The approach first aligns each modality to a shared LLM space through independently trained projections, allowing them to interoperate naturally, and then applies standard instruction tuning with multi-modal data to bring them together for downstream reasoning. By unifying raw biomedical data with knowledge embedded in LLMs, the approach enables zero-shot annotation, cross-modal question answering, and interactive, explainable dialogue. Across tasks spanning cell-type annotation, molecular description, and protein function reasoning, compact BIOVERSE configurations surpass larger LLM baselines while enabling richer, generative outputs than existing BioFMs, establishing a foundation for principled multi-modal biomedical reasoning.

q-bio.QM↗

arXiv2025

MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on small-molecules, proteins, or transcriptomic data, limiting their ability to capture complex, multi-modal interactions. Effective drug discovery requires computational tools that integrate multiple biological entities while supporting prediction and generation, a challenge existing models struggle to address. For this purpose, we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a versatile method applied to create a multi-task foundation model that learns from large-scale biological datasets across diverse modalities, including proteins, small-molecules, and omics. MAMMAL's structured prompt syntax supports classification, regression, and generation tasks while handling token and scalar inputs and outputs. Evaluated on eleven diverse downstream tasks, it reaches a new state of the art (SOTA) in nine tasks and is comparable to SOTA in two tasks, all within a unified architecture, unlike prior task-specific models. Additionally, we explored Alphafold 3 binding prediction capabilities on antibody-antigen and nanobody-antigen complexes showing significantly better classification performance of MAMMAL in 3 out of 4 targets. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m

q-bio.QM↗