GyroNovo is a new framework for de novo peptide sequencing that improves fragment imputation by guiding the process with decoder errors observed during training. It introduces mass-aware attention using rotary embeddings to encode pairwise mass differences between spectral peaks, and creates easy and hard augmented views of spectra to train the decoder under varying corruption levels. Experiments on NovoBench demonstrate significant gains, with about 9 percentage points higher peptide-level precision and 7 percentage points higher amino-acid-level precision compared to the state-of-the-art baseline.
arXiv:2606. 11868v1 Announce Type: new Abstract: De novo peptide sequencing from tandem mass spectrometry is pivotal in proteomics, enabling identification of novel peptides without reference databases.
arXiv:2607. 23607v1 Announce Type: new Abstract: Molecular structure elucidation from tandem mass spectra (MS/MS) is a central inverse problem in analytical chemistry.
FLaG (Frequency‑Domain Latent‑attention Gated Pooling) is a plug‑in token‑aggregation module that transforms encoder outputs into the Fourier domain, summarizes spectral tokens with learnable latent queries, applies a sample‑conditioned channel gate, and reconstructs modulated token representations for downstream pooling. The method is evaluated on antimicrobial peptide activity prediction, CIFAR‑10/100 image classification, and several RoBERTa language tasks, achieving state‑of‑the‑art performance on most metrics. Analyses show that FLaG emphasizes low‑frequency components while selectively amplifying high‑frequency signals in later layers, providing a transferable frequency‑domain bias across protein, visual, and textual representations.
arXiv:2602. 22822v3 Announce Type: replace Abstract: Tandem mass spectrometry (MS/MS) is central to small molecule identification, but current deep learning systems for spectrum prediction still remain difficult to evaluate and deploy in practice.
arXiv:2602. 17162v3 Announce Type: replace Abstract: Genomic Foundation Models (GFMs) typically rely on Masked Language Modeling (MLM) or Next-Token Prediction (NTP) to learn the "Laws of Nature".
MT-ProtBERT is a multi‑task extension of ProtBERT designed for classifying intrinsically disordered proteins (IDPs) in low‑data settings. It combines Dynamic Window Masking, a Multi‑Scale 1D Convolutional classifier, and auxiliary biochemistry‑informed objectives to jointly optimize masked language modeling and domain‑specific tasks. In experiments on phosphorylation site prediction and protein compaction prediction, MT‑ProtBERT outperforms the RNN‑based IDP model PARROT across all limited‑data tasks.
arXiv:2606. 05139v1 Announce Type: new Abstract: The rapid advancement of high-throughput sequencing has led to large, high-dimensional omics datasets.
arXiv:2603. 14717v2 Announce Type: replace Abstract: Generating novel protein sequences that respect a family's statistical constraints typically requires training deep generative models on thousands to millions of examples.
arXiv:2606. 29577v1 Announce Type: cross Abstract: Positron Emission Tomography (PET) reveals brain metabolism and is clinically central to neurodegenerative disease assessment, yet existing 3D brain foundation models treat PET as generic volumetric data, missing the structured regional metabolic information that distinguishes it from structural neuroimaging.
arXiv:2511. 19264v2 Announce Type: replace-cross Abstract: Generative Flow Networks (GFlowNets) construct molecules through sequential decisions, but their internal policies remain opaque, limiting adoption in drug discovery, where chemists need interpretable rationales for proposed structures.
Positron Emission Tomography (PET) reveals brain metabolism and is clinically central to neurodegenerative disease assessment, yet existing 3D brain foundation models treat PET as generic volumetric data, missing the structured regional metabolic information that distinguishes it from structural neuroimaging. To address these limitations, we propose ReMAP-PET, a framework that moves beyond visual encoding by supervising a partially-tuned MedicalNet 3D ResNet-50 with brain regional standardized uptake value ratio (SUVR) profiles through joint regression and contrastive objectives, enabling the encoder to learn the metabolic semantics underlying PET modality.
The paper introduces a lightweight, observation-conditioned latent energy prior to improve inference for frozen implicit neural representation (INR) decoders when only sparse off‑grid signed distance function (SDF) samples are available. By standardizing latent codes based on a permutation‑invariant encoding of the sparse observations and combining this energy with a validation‑selected L2 prior, the method consistently outperforms baseline L2 and a six‑component Gaussian mixture model prior on both a controlled cell‑nucleus SDF dataset and a MedShapeNet‑derived SDF completion dataset, especially in the sparsest regimes. Ablation studies confirm that the energy term’s contribution is specific to the observed context rather than generic. whyItMatters":"The approach demonstrates that pretrained INR decoders can become more observation‑aware without retraining, improving shape completion accuracy in data‑sparse scenarios."