Yuhe Zhou | Search arXiv

arXiv2026

Spackle: Completing Large View Single Image NVS with Adaptive Gaussians

Single-image novel view synthesis (NVS) enables photorealistic rendering of un- observed viewpoints from a single input. Practical NVS systems require two key capabilities: robust reconstruction of occluded regions and high inference effi- ciency. While hybrid decoupled frameworks combining feedforward 3D Gaussian Splatting (3DGS) and diffusion models show promise for large-view-deviation NVS, they suffer from capacity competition: a fixed number of Gaussians forces resource shifts from visible to newly disoccluded areas, degrading original scene fidelity when the target view deviates significantly from the input. To address this, we propose Spackle, a lightweight residual learning framework that mit- igates capacity competition without sacrificing efficiency. Spackle operates in three stages: predicting base 3DGS attributes from given views, automatically identifying poorly reconstructed regions, and learning a residual 3DGS optimized exclusively for these areas. At inference, we combine the baseline and aug- mented Gaussians for NVS. We conduct comprehensive experiments and show that Spackle achieves state-of-the-art performance on large-view-deviation cases.

cs.CV↗

arXiv2026

TopU-LBVS: A Realistic Multi Target Benchmark for Ligand Based Virtual Screening

Ligand-based virtual screening (LBVS) is a practical first-pass tool in early-stage drug discovery, but existing benchmarks can overestimate performance through random negatives, easy decoys, limited target coverage, and non-standardized evaluation protocols. We introduce TopU-LBVS, a multi-target benchmark for LBVS under hard-negative screening conditions. Starting from curated ChEMBL~35 bioactivity data, TopU-LBVS covers 93 protein targets across 7 protein classes and constructs target-specific screening libraries with property-matched, structurally similar decoys at a fixed 1:40 active-to-decoy ratio. Libraries contain roughly 400 to 10,000 compounds and are designed to reduce simple physicochemical and nearest-neighbor fingerprint shortcuts. TopU-LBVS provides three fixed protocols. TopU-LBVS-full evaluates ChEMBL$^\ast \rightarrow$ TopU generalization across all 93 targets. TopU-LBVS-low evaluates low-data TopU $\rightarrow$ TopU learning within the hard-negative distribution. TopU-LBVS-mini provides a compact seven-target protocol with a paired random-decoy control that changes only the test decoys, enabling low-cost development and direct measurement of the gap between random ChEMBL$^\ast$ and TopU decoys. Across ten reference baselines spanning fingerprint methods, molecular GNNs, fingerprint hybrids, and modern molecular models, performance under random-decoy evaluation degrades sharply under hard-negative screening. We release data, fixed splits, evaluation code, and baseline implementations for reproducible comparison of future LBVS and molecular representation learning methods. Code and data are available at https://github.com/topu-benchmark/topu-lbvs and https://huggingface.co/datasets/topu-benchmark/topu-lbvs.

cs.LG↗