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Augmenting Biological Fitness Prediction Benchmarks with Landscapes Features from GraphFLA

Neural Information Processing Systems

Machine learning models increasingly map biological sequence-fitness landscapes to predict mutational effects. Effective evaluation of these models requires benchmarks curated from empirical data. Despite their impressive scales, existing benchmarks lack topographical information regarding the underlying fitness landscapes, which hampers interpretation and comparison of model performance beyond averaged scores. Here, we introduce GraphFLA, a Python framework that constructs and analyzes fitness landscapes from diverse modalities (DNA, RNA, protein, and beyond.),


The emergence of sparse attention: impact of data distribution and benefits of repetition

Neural Information Processing Systems

Emergence is a fascinating property of large language models and neural networks more broadly: as models scale and train for longer, they sometimes develop new abilities in sudden ways. Despite initial studies, we still lack a comprehensive understanding of how and when these abilities emerge. To address this gap, we study the emergence over training of sparse attention, a critical and frequently observed attention pattern in Transformers. By combining theoretical analysis of a toy model with empirical observations on small Transformers trained on a linear regression variant, we uncover the mechanics driving sparse attention emergence and reveal that emergence timing follows power laws based on task structure, architecture, and optimizer choice. We additionally find that repetition can greatly speed up emergence. Finally, we confirm these results on a well-studied in-context associative recall task. Our findings provide a simple, theoretically grounded framework for understanding how data distributions and model design influence the learning dynamics behind one form of emergence.


Improved techniques for deterministic l2 robustness

Neural Information Processing Systems

Training convolutional neural networks (CNNs) with a strict 1-Lipschitz constraint under the l_{2} norm is useful for adversarial robustness, interpretable gradients and stable training.


KOALA++: Efficient Kalman-Based Optimization with Gradient-Covariance Products

Neural Information Processing Systems

We propose KOALA++, a scalable Kalman-based optimization algorithm that explicitly models structured gradient uncertainty in neural network training. Unlike second-order methods, which rely on expensive second order gradient calculation, our method directly estimates the parameter covariance matrix by recursively updating compact gradient covariance products. This design improves upon the original KOALA framework that assumed diagonal covariance by implicitly capturing richer uncertainty structure without storing the full covariance matrix and avoiding large matrix inversions. Across diverse tasks, including image classification and language modeling, KOALA++ achieves accuracy on par or better than state-of-the-art second-order optimizers while maintaining the efficiency of first-order methods.


Stable Gradients for Stable Learning at Scale in Deep Reinforcement Learning

Neural Information Processing Systems

Scaling deep reinforcement learning networks is challenging and often results in degraded performance, yet the root causes of this failure mode remain poorly understood. Several recent works have proposed mechanisms to address this, but they are often complex and fail to highlight the causes underlying this difficulty. In this work, we conduct a series of empirical analyses which suggest that the combination of non-stationarity with gradient pathologies, due to suboptimal architectural choices, underlie the challenges of scale. We propose a series of direct interventions that stabilize gradient flow, enabling robust performance across a range of network depths and widths. Our interventions are simple to implement and compatible with well-established algorithms, and result in an effective mechanism that enables strong performance even at large scales.


The Download: soccer's data renaissance and China's big nuclear plans

MIT Technology Review

Plus: Autonomous drones may have killed soldiers for the first time. Imagine tuning in to the opening kickoff of a World Cup match and seeing a player intentionally kick the ball out of bounds. You may question the logic of surrendering possession seconds into a game. If you were Jesse Davis, though, you'd know that this play could be a prime setup to score. Davis is a professor of computer science at KU Leuven in Belgium and head of its Sports Analytics Lab, which has been at the vanguard of a data awakening in soccer. Using AI and data analytics, his team has uncovered hidden tactical patterns and challenged long-held assumptions about how the game should be played.


SAS: Simulated Attention Score

Neural Information Processing Systems

The attention mechanism is a core component of the Transformer architecture. Various methods have been developed to compute attention scores, including multi-head attention (MHA), multi-query attention, group-query attention and so on. We further analyze the MHA and observe that its performance improves as the number of attention heads increases, provided the hidden size per head remains sufficiently large. Therefore, increasing both the head count and hidden size per head with minimal parameter overhead can lead to significant performance gains at a low cost. Motivated by this insight, we introduce Simulated Attention Score (SAS), which maintains a compact model size while simulating a larger number of attention heads and hidden feature dimension per head. This is achieved by projecting a low-dimensional head representation into a higher-dimensional space, effectively increasing attention capacity without increasing parameter count. Beyond the head representations, we further extend the simulation approach to feature dimension of the key and query embeddings, enhancing expressiveness by mimicking the behavior of a larger model while preserving the original model size. To control the parameter cost, we also propose Parameter-Efficient Attention Aggregation (PEAA). Comprehensive experiments on a variety of datasets and tasks demonstrate the effectiveness of the proposed SAS method, achieving significant improvements over different attention variants.


OpenBox: Annotate Any Bounding Boxes in 3D

Neural Information Processing Systems

Unsupervised and open-vocabulary 3D object detection has recently gained attention, particularly in autonomous driving, where reducing annotation costs and recognizing unseen objects are critical for both safety and scalability. However, most existing approaches uniformly annotate 3D bounding boxes, ignore objects' physical states, and require multiple self-training iterations for annotation refinement, resulting in suboptimal quality and substantial computational overhead. To address these challenges, we propose OpenBox, a two-stage automatic annotation pipeline that leverages a 2D vision foundation model. In the first stage, OpenBox associates instance-level cues from 2D images processed by a vision foundation model with the corresponding 3D point clouds via context-aware refinement. In the second stage, it categorizes instances by rigidity and motion state, then generates adaptive bounding boxes with class-specific size statistics. As a result, OpenBox produces high-quality 3D bounding box annotations without requiring self-training. Experiments on the Waymo Open Dataset (WOD), the Lyft Level 5 Perception dataset, and the nuScenes dataset demonstrate improved accuracy and efficiency over baselines.


Constrained Diffusers for Safe Planning and Control

Neural Information Processing Systems

Diffusion models have shown remarkable potential in planning and control tasks due to their ability to represent multimodal distributions over actions and trajectories. However, ensuring safety under constraints remains a critical challenge for diffusion models. This paper proposes Constrained Diffusers, an extended framework for planning and control that incorporates distribution-level constraints into pre-trained diffusion models without retraining or architectural modifications. Inspired by constrained optimization, we apply a constrained Langevin sampling method for the reverse diffusion process that jointly optimizes the trajectory and achieves constraint satisfaction through three iterative algorithms: projected method, primal-dual method and augmented Lagrangian method. In addition, we incorporate discrete control barrier functions as constraints for constrained diffusers to guarantee safety in online implementation, following a receding-horizon control that we generate a short-horizon plan and execute only the first action before replanning. Experiments in Maze2D, locomotion, and PyBullet ball running tasks demonstrate that our proposed methods achieve constraint satisfaction with less computation time, and are competitive with existing methods in environments with static and time-varying constraints.


MixPrompt: Efficient Mixed Prompting for Multimodal Semantic Segmentation

Neural Information Processing Systems

Recent advances in multimodal semantic segmentation show that incorporating auxiliary inputs--such as depth or thermal images--can significantly improve performance over single-modality (RGB-only) approaches. However, most existing solutions rely on parallel backbone networks and complex fusion modules, greatly increasing model size and computational demands. Inspired by prompt tuning in large language models, we introduce \textbf{MixPrompt}: a prompting-based framework that integrates auxiliary modalities into a pretrained RGB segmentation model without modifying its architecture. MixPrompt uses a lightweight prompting module to extract and fuse information from auxiliary inputs into the main RGB backbone. This module is initialized using the early layers of a pretrained RGB feature extractor, ensuring a strong starting point.