experiment
EnzyControl: Adding Functional and Substrate-Specific Control for Enzyme Backbone Generation
Designing enzyme backbones with substrate-specific functionality is a critical challenge in computational protein engineering. Current generative models excel in protein design but face limitations in binding data, substrate-specific control, and flexibility for de novo enzyme backbone generation. To address this, we introduce EnzyBind, a dataset with 11,100 experimentally validated enzyme-substrate pairs specifically curated from PDBbind. Building on this, we propose EnzyControl, a method that enables functional and substrate-specific control in enzyme backbone generation. Our approach generates enzyme backbones conditioned on MSAannotated catalytic sites and their corresponding substrates, which are automatically extracted from curated enzyme-substrate data. At the core of EnzyControl is EnzyAdapter, a lightweight, modular component integrated into a pretrained motifscaffolding model, allowing it to become substrate-aware. A two-stage training paradigm further refines the model's ability to generate accurate and functional enzyme structures. Experiments show that our EnzyControl achieves the best performance across structural and functional metrics on EnzyBind and EnzyBench benchmarks, with particularly notable improvements of 13% in designability and 13% in catalytic efficiency compared to the baseline models.
In VG VG VG VG In DU DU CU In CU MAOu MAOu MA MA In In ppppprrStStTTSSSSGGGGssuuuuutttt33tttttTTTT3R3R3R3R33RR+++RR+++OOOuuuOurrss
The family of feed-forward reconstruction model regresses pointmap of all input images to a reference frame coordinate system, along with other auxiliary outputs, in a single forward pass. However, we find that current models struggle with fine geometry and robustness due to (i) the scarcity of high-fidelity depth and pose supervision and (ii) the inherent geometric misalignment from multi-view pointmap regression. Fin3R jointly tackles two issues with an extra lightweight fine-tuning step. We freeze the decoder, which handles view matching, and fine-tune only the image encoder--the component dedicated to feature extraction. The encoder is enriched with fine geometric details distilled from a strong monocular teacher model on large, unlabeled datasets, using a custom, lightweight LoRA adapter.
ReAgent-V: AReward-Driven Multi-Agent Framework for Video Understanding
Video understanding is fundamental to tasks such as action recognition, video reasoning, and robotic control. Early video understanding methods based on large vision-language models (LVLMs) typically adopt a single-pass reasoning paradigm without dynamic feedback, limiting the model's capacity to self-correct and adapt in complex scenarios. Recent efforts have attempted to address this limitation by incorporating reward models and reinforcement learning to enhance reasoning, or by employing tool-agent frameworks. However, these approaches face several challenges, including high annotation costs, reward signals that fail to capture real-time reasoning states, and low inference efficiency. To overcome these issues, we propose ReAgent-V, a novel agentic video understanding framework that integrates efficient frame selection with real-time reward generation during inference. These reward signals not only guide iterative answer refinement through a multi-perspective reflection mechanism--adjusting predictions from conservative, neutral, and aggressive viewpoints--but also enable automatic filtering of high-quality data for supervised fine-tuning (SFT), direct preference optimization (DPO), and group relative policy optimization (GRPO). ReAgent-V is lightweight, modular, and extensible, supporting flexible tool integration tailored to diverse tasks. Extensive experiments on 12 datasets across three core applications--video understanding, video reasoning enhancement, and vision-language-action model alignment--demonstrate significant gains in generalization and reasoning, with improvements of up to 6.9%, 2.1%, and 9.8%, respectively, highlighting the effectiveness and versatility of the proposed framework.
Rescaled Influence Functions: Accurate Data Attribution in High Dimension
How does the training data affect a model's behavior? This is the question we seek to answer with data attribution. The leading practical approaches to data attribution are based on influence functions (IF). IFs utilize a first-order Taylor approximation to efficiently predict the effect of removing a set of samples from the training set without retraining the model, and are used in a wide variety of machine learning applications. However, especially in the high-dimensional regime (# params โฆ(# samples)), they are often imprecise and tend to underestimate the effect of sample removals, even for simple models such as logistic regression. We present rescaled influence functions (RIF), a tool for data attribution which can be used as a dropin replacement for influence functions, with little computational overhead but significant improvement in accuracy. We compare IF and RIF on a range of realworld datasets, showing that RIFs offer significantly better predictions in practice, and present a theoretical analysis explaining this improvement. Finally, we present a simple class of data poisoning attacks that would fool IF-based detections but would be detected by RIF.
DPA: AOne-stop Metric to Measure Bias Amplification in Classification Datasets
Most ML datasets today contain biases. When we train models on these datasets, they often not only learn these biases but can worsen them -- a phenomenon known as bias amplification. Several co-occurrence-based metrics have been proposed to measure bias amplification in classification datasets. They measure bias amplification between a protected attribute (e.g., gender) and a task (e.g., cooking). These metrics also support fine-grained bias analysis by identifying the direction in which a model amplifies biases. However, co-occurrence-based metrics have limitations -- some fail to measure bias amplification in balanced datasets, while others fail to measure negative bias amplification.
Overleaf Example
Large language models (LLMs) have shown remarkable performance across diverse reasoning and generation tasks, and are increasingly deployed as agents in dynamic environments such as code generation and recommendation systems. However, many real-world applications, such as high-frequency trading and real-time competitive gaming, require decisions under strict latency constraints, where faster responses directly translate into higher rewards. Despite the importance of this latency-quality trade-off, it remains underexplored in the context of LLM-based agents. In this work, we present the first systematic study of this trade-off in realtime decision-making tasks. To support our investigation, we introduce two new benchmarks: HFTBench, a high-frequency trading simulation, and StreetFighter, a competitive gaming platform.
Foundation Model for Neural Interfaces
Electroencephalography (EEG) has wide-ranging applications, from clinical diagnosis to brain-computer interfaces (BCIs). With the increasing volume and variety of EEG data, there has been growing interest in establishing foundation models (FMs) to scale up and generalize neural decoding. Despite showing early potential, applying FMs to EEG remains challenging due to substantial inter-subject, intertask, and inter-condition variability, as well as diverse electrode configurations across recording setups. To tackle these open challenges, we propose NEURIPT, a foundation model developed for diverse EEG-based Neural Interfaces with a Pre-trained Transformer by capturing both homogeneous and heterogeneous spatio-temporal characteristics inherent in EEG signals. Temporally, we introduce Amplitude-Aware Masked Pretraining (AAMP), masking based on signal amplitude rather than random intervals, to learn robust representations across varying signal intensities beyond local interpolation. Moreover, this temporal representation is enhanced by a Progressive Mixture-of-Experts (PMoE) architecture, where specialized expert subnetworks are progressively introduced at deeper layers, adapting effectively to the diverse temporal characteristics of EEG signals.
From Pixels to Views: Learning Angular-Aware and Physics-Consistent Representations for Light Field Microscopy
Light field microscopy (LFM) has become an emerging tool in neuroscience for large-scale neural imaging in vivo, with XLFM (eXtended Light Field Microscopy) notable for its single-exposure volumetric imaging, broad field of view, and high temporal resolution. However, learning-based 3D reconstruction in XLFM remains underdeveloped due to two core challenges: the absence of standardized datasets and the lack of methods that can efficiently model its angular-spatial structure while remaining physically grounded. We address these challenges by introducing three key contributions. First, we construct the XLFM-Zebrafish benchmark, a large-scale dataset and evaluation suite for XLFM reconstruction. Second, we propose Masked View Modeling for Light Fields (MVM-LF), a self-supervised task that learns angular priors by predicting occluded views, improving data efficiency. Third, we formulate the Optical Rendering Consistency Loss (ORC Loss), a differentiable rendering constraint that enforces alignment between predicted volumes and their PSF-based forward projections. On the XLFM-Zebrafish benchmark, our method improves PSNR by 7.7% over state-of-the-art baselines.
Searching Efficient Semantic Segmentation Architectures via Dynamic Path Selection
Existing NAS methods for semantic segmentation typically apply uniform optimization to all candidate networks (paths) within a one-shot supernet. However, the concurrent existence of both promising and suboptimal paths often results in inefficient weight updates and gradient conflicts. This issue is particularly severe in semantic segmentation due to its complex multi-branch architectures and large search space, which further degrade the supernet's ability to accurately evaluate individual paths and identify high-quality candidates. To address this issue, we propose Dynamic Path Selection (DPS), a selective training strategy that leverages multiple performance proxies to guide path optimization. DPS follows a stagewise paradigm, where each phase emphasizes a different objective: early stages prioritize convergence, the middle stage focuses on expressiveness, and the final stage emphasizes a balanced combination of expressiveness and generalization. At each stage, paths are selected based on these criteria, concentrating optimization efforts on promising paths, thus facilitating targeted and efficient model updates. Additionally, DPS integrates a dynamic stage scheduler and a diversity-driven exploration strategy, which jointly enable adaptive stage transitions and maintain structural diversity among selected paths. Extensive experiments demonstrate that, under the same search space, DPS can discover efficient models with strong generalization and superior performance.