Technology
UniZyme: AUnified Protein Cleavage Site Predictor Enhanced with Enzyme Active-Site Knowledge
Enzyme-catalyzed protein cleavage is essential for many biological functions. Accurate prediction of cleavage sites can facilitate various applications such as drug development, enzyme design, and a deeper understanding of biological mechanisms. However, most existing models are restricted to an individual enzyme, which neglects shared knowledge of enzymes and fails to generalize to novel enzymes. Thus, we introduce a unified protein cleavage site predictor named UniZyme, which can generalize across diverse enzymes. To enhance the enzyme encoding for the protein cleavage site prediction, UniZyme employs a novel biochemically-informed model architecture along with active-site knowledge of proteolytic enzymes. Extensive experiments demonstrate that UniZyme achieves high accuracy in predicting cleavage sites across a range of proteolytic enzymes, including unseen enzymes. The code is available in https://github.com/Ao-LiChen/UniZyme.
Class conditional conformal prediction for multiple inputs by p-value aggregation
Conformal prediction methods are statistical tools designed to quantify uncertainty and generate predictive sets with guaranteed coverage probabilities. This work introduces an innovative refinement to these methods for classification tasks, specifically tailored for scenarios where multiple observations (multi-inputs) of a single instance are available at prediction time. Our approach is particularly motivated by applications in citizen science, where multiple images of the same plant or animal are captured by individuals. Our method integrates the information from each observation into conformal prediction, enabling a reduction in the size of the predicted label set while preserving the required class-conditional coverage guarantee. The approach is based on the aggregation of conformal p-values computed from each observation of a multi-input. By exploiting the exact distribution of these p-values, we propose a general aggregation framework using an abstract scoring function, encompassing many classical statistical tools. Knowledge of this distribution also enables refined versions of standard strategies, such as majority voting. We evaluate our method on simulated and real data, with a particular focus on Pl@ntNet, a prominent citizen science platform that facilitates the collection and identification of plant species through user-submitted images.
Tightening Regret Lower and Upper Bounds in Restless Rising Bandits
Restless Multi-Armed Bandits (MABs) are a general framework designed to handle real-world decision-making problems where the expected rewards evolve over time, such as in recommender systems and dynamic pricing. In this work, we investigate from a theoretical standpoint two well-known structured subclasses of restless MABs: the rising and the rising concave settings, where the expected reward of each arm evolves over time following an unknown non-decreasing and a non-decreasing concave function, respectively. By providing a novel methodology of independent interest for general restless bandits, we establish new lower bounds on the expected cumulative regret for both settings. In the rising case, we prove a lower bound of order โฆpT2{3q, matching known upper bounds for restless bandits; whereas, in the rising concave case, we derive a lower bound of order โฆpT3{5q, proving for the first time that this setting is provably more challenging than stationary MABs. Then, we introduce Rising Concave Budgeted Exploration (RC-BEpฮฑq), a new regret minimization algorithm designed for the rising concave MABs. By devising a novel proof technique, we show that the expected cumulative regret of RC-BEpฮฑq is in the order of rOpT7{11q. These results collectively make a step towards closing the gap in rising concave MABs, positioning them between stationary and general restless bandit settings in terms of statistical complexity.
1aa1fde3661b23ba9b043082069fd144-Paper-Conference.pdf
While diffusion models have achieved remarkable success in text-to-image generation, they encounter significant challenges with instruction-driven image editing. Our structurally-inconsistent research highlights a edits key that challenge: involve these substantial models layout particularly changes.
Information-Theoretic Discrete Diffusion
We present an information-theoretic framework for discrete diffusion models that yields principled estimators of log-likelihood using score-matching losses. Inspired by the I-MMSE identity for the Gaussian setup, we derive analogous results for the discrete setting. Specifically, we introduce the Information-Minimum Denoising Score Entropy (I-MDSE) relation, which links mutual information between data and its diffused version to the minimum denoising score entropy (DSE) loss. We extend this theory to masked diffusion and establish the Information-Minimum Denoising Cross-Entropy (I-MDCE) relation, connecting cross-entropy losses to mutual information in discrete masked processes. These results provide a timeintegral decomposition of the log-likelihood of the data in terms of optimal scorebased losses, showing that commonly used losses such as DSE and DCE are not merely variational bounds but tight and principled estimators of log-likelihood. The I-MDCE decomposition further enables practical extensions, including time-free formula, conditional likelihood estimation in prompt-response tasks, and coupled Monte Carlo estimation of likelihood ratios. Experiments on synthetic and realworld data confirm the accuracy, variance stability, and utility of our estimators.
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Benchmarking Retrieval-Augmented Multimodal Generation for Document Question Answering
Current document retrieval-augmented generation (DocRAG) Therefore, the number of female respondents who never listened to theradio is: Number of females who never listened = 2,001 * 0.557 = 1,115 methods remain limited by their text-centric approaches, frequently missing "text12": [ "The table provides a
Robust SuperAlignment: Weak-to-Strong Robustness Generalization for Vision-Language Models
Numerous well-established studies have demonstrated the superhuman capabilities of modern Vision-Language Models (VLMs) across a wide range of tasks. However, growing is the doubt about the continuing availability of reliable high-quality labeling (supervision) from human annotators, leading to stagnation of the model's performance. To address this challenge, "superalignment" employs the so-called weak-to-strong generalization paradigm, where the supervision from a weak model can provide generalizable knowledge for a strong model. While effective in aligning knowledge for clean samples between the strong and weak models, the standard weak-to-strong approach typically fails to capture adversarial robustness, exposing strong VLMs to adversarial attacks. This inability to transfer adversarial robustness is because adversarial samples are normally missing in the superalignment stage. To this end, we are the first to propose the weak-to-strong (adversarial) robustness generalization method to elicit zero-shot robustness in large-scale models by an unsupervised scheme, mitigating the unreliable information source for alignment from two perspectives: alignment re-weighting and source guidance refinement. We analyze settings under which robustness generalization is possible.
HyRF: Hybrid Radiance Fields for Memory-efficient and High-quality Novel View Synthesis
Recently, 3DGaussian Splatting (3DGS) has emerged as a powerful alternative to NeRF-based approaches, enabling real-time, high-quality novel view synthesis through explicit, optimizable 3DGaussians. However, 3DGS suffers from significant memory overhead due to its reliance on per-Gaussian parameters to model view-dependent effects and anisotropic shapes. While recent works propose compressing 3DGS with neural fields, these methods struggle to capture high-frequency spatial variations in Gaussian properties, leading to degraded reconstruction of fine details. We present Hybrid Radiance Fields (HyRF), a novel scene representation that combines the strengths of explicit Gaussians and neural fields. HyRF decomposes the scene into (1) a compact set of explicit Gaussians storing only critical high-frequency parameters and (2) grid-based neural fields that predict remaining properties. To enhance representational capacity, we introduce a decoupled neural field architecture, separately modeling geometry (scale, opacity, rotation) and view-dependent color. Additionally, we propose a hybrid rendering scheme that composites Gaussian splatting with a neural field-predicted background, addressing limitations in distant scene representation. Experiments demonstrate that HyRF achieves state-of-the-art rendering quality while reducing model size by over 20 compared to 3DGS and maintaining real-time performance. Our project page is available at https://wzpscott.github.io/hyrf/.
Learning from Disjoint Views: AContrastive Prototype Matching Network for Fully Incomplete Multi-View Clustering
Multi-view clustering aims to enhance clustering performance by leveraging information from diverse sources. However, its practical application is often hindered by a barrier: the lack of correspondences across views. This paper focuses on the understudied problem of fully incomplete multi-view clustering (FIMC), a scenario where existing methods fail due to their reliance on partial alignment. To address this problem, we introduce the Contrastive Prototype Matching Network (CPMN), a novel framework that establishes a new paradigm for cross-view alignment based on matching high-level categorical structures. Instead of aligning individual instances, CPMN performs a more robust cluster prototype alignment. CPMN first employs a correspondence-free graph contrastive learning approach, leveraging mutual k-nearest neighbors (MNN) to uncover intrinsic data structures and establish initial prototypes from entirely unpaired views. Building on the prototypes, we introduce a cross-view prototype graph matching stage to resolve category misalignment and forge a unified clustering structure. Finally, guided by this alignment, we devise a prototype-aware contrastive learning mechanism to promote semantic consistency, replacing the reliance on the initial MNN-based structural similarity. Extensive experiments on benchmark datasets demonstrate that our method significantly outperforms various baselines and ablation variants, validating its effectiveness.