#01Nov 10, 2026
stat.ME
One Curve, Different Weights: AUC, the Brier Score, Decision-Weighted AUC, and the Policy Youden Index
Yegor Baranovski
AUC and the Brier score are standard summaries of a binary risk score, yet they can rank models differently. We introduce a weighted AUC, AUC$_π$, which weights each pair of observations by how differently a decision maker with probability of acting $π$ treats them. We show that all three are built on weighted averages of one curve, the Youden index $J(t) = \mathrm{TPR}(t) - \mathrm{FPR}(t)$ across cutoffs $t$, and that the averages differ in the weights they put on the cutoffs. Each weights a cutoff by how much something rises across it: for AUC, the distribution of all scores; for the Brier score, the true probability $\mathbb{E}[Y \mid S]$; for AUC$_π$, the decision maker's probability of acting. Up to normalization, AUC$_π$ is the Brier skill score of the ideal forecast with its weight moved to the cutoffs the decision maker cares about. We also show that weighting pairs by $|π(s) - π(s')|$ is, up to scale, the only pair weight fixed in advance that makes a pair-weighted AUC an average of the Youden curve for every score distribution. As a ranking measure, AUC weights every model the same way. Hand (2009) shows that it can also be read as an average over cost thresholds, and in that reading each model weights the thresholds differently. The numerator of AUC$_π$, which we call the policy Youden index, is the expected share of class 1 a fixed policy acts on minus the expected share of class 0. It judges every model by the same policy and so avoids this; the full ratio AUC$_π$ does not.
#02Nov 10, 2026
cs.CV
UGG: Unified Generative Geometry Model
Amani Kiruga, Zhiyi Li, Ruojin Cai and 4 more
Understanding 4D scenes is a core challenge in visual intelligence, requiring models to jointly capture scene geometry, appearance, and dynamics from partial observations. However, existing approaches are subdivided into feedforward models for direct geometric prediction, and generative models for visual synthesis. We introduce UGG, a unified framework for 4D scene understanding that jointly models RGB video and geometric representations such as depth and camera pose. By assigning different noise levels across modalities and time, UGG formulates visual generation and geometric prediction as conditional completion within a single generative model. This flexible formulation enables the model to learn from diverse, heterogeneous datasets with different subsets of geometric and visual annotations. Furthermore, our generative formulation enables inference-time search over multiple plausible scene hypotheses, using geometric evidence extracted from observed RGB frames to improve geometric prediction without ground truth geometry. We demonstrate UGG's effectiveness over non-unified baselines across camera-controlled video generation, depth estimation, and camera pose prediction, including in challenging sparse observation settings. Code and visualizations are available at https://ugg-model.github.io/
#03Nov 10, 2026
cs.LG
Causal Concept Explanations for Deep Neural Models
Josh Rountree, Pulkit Verma, Oswin So and 2 more
Concept-based explanations in neural models are important for the development, certification, and adoption of autonomous systems. Yet, interpretability remains correlational. Without methods to guide and quantify causal relationships between explanations, a concept explanation can be provided without being necessary or sufficient for the observed output thereby appearing correct while misleading. We introduce Causal Concept Wrapper Network (CCW-Net), the first use of interventional mediation analysis from fields such as economics, medicine, and epidemiology as a training objective to align causal effects of concept-based explanations with a model's output. We further apply mediation analysis as an evaluation tool to quantify, per concept label combination, how much of any model's output is causally attributable to each concept explanation. As a training objective, CCW-Net shapes a model's concept representations such that they are both necessary and sufficient for the outputs they are credited with and independent of other concepts' contributions. Counterfactual concept representations anchor a set of causal alignment criteria: necessity, sufficiency, and independence. Necessity drives irrelevant concept effects toward zero, sufficiency ensures relevant concept representations fully reconstruct a model's output, and independence enforces the total effect decomposes linearly across concepts. We evaluate CCW-Net across aircraft control, driving, and image classification. CCW-Net provides a step toward concept-based explanations that are not merely interpretable, but quantifiably causal, supporting safer evaluation, certification, and deployment of transparent and trustworthy neural models.
#04Nov 10, 2026
cs.LG
Emergent Biological Capabilities in a Foundation Model for Molecular Interactions
Adi Mashiach
Foundation models trained on large unlabeled corpora develop emergent capabilities, tasks that go beyond the training objective. We extend this paradigm to multimodal biology with Bonbon, a foundation model for molecular interactions trained on approximately 3.2 trillion tokens of paired protein-ligand sequences. From a single representation space, Bonbon exhibits three zero-shot emergent capabilities at hierarchical levels of resolution: functional (mechanism of action), residue (binding site localization, including orthosteric/allosteric discrimination), and bond (covalent versus non-covalent engagement). All three capabilities generalize to out-of-distribution complexes. Bonbon was trained on protein-ligand sequences alone, without any task-specific supervision and without structural coordinates. We conducted controlled scaling experiments across six model scales from 42M to 1.6B parameters; every capability evaluated shows a sharp jump at the largest scale on continuous metrics, even as pretraining loss decreases smoothly. This demonstrates that loss-based scaling laws alone are insufficient to predict when zero-shot emergent capabilities become available. The capabilities reported here emerge after training at a 1:2,000 parameter-to-token ratio to accommodate the sparsity of paired biological interaction data. The same frozen representations achieve state-of-the-art binding and affinity prediction at five orders of magnitude greater speed than co-folding methods. In prospective wet-lab validation across nine disease targets spanning seven protein families, Bonbon achieves a 61.5% dose-response hit rate on de novo compounds, yielding structurally novel molecules not previously reported to inhibit these proteins, including for out-of-distribution targets.
#05Nov 10, 2026
cs.LG
AutoScaffold: AI-Guided Scaffolding for Reinforcement Learning of Language Models
Zijian Zhang, Rizhen Hu, Jiangweizhi Peng and 4 more
Reinforcement learning with verifiable rewards (RLVR) produces rich training experience, yet outcome rewards reduce each attempt to a single number and leave most of this information unused. Training-time scaffolds, such as strategies or hints added to the prompt during training, offer a natural way to turn this information into guidance, but their design and adaptation are largely left to humans and tailored to specific domains. We introduce AutoScaffold, a unified AI-for-AI framework that turns a student's training experience into adaptive scaffolds, with minimal domain-specific information and no human intervention during training. A frozen teacher periodically examines this experience, diagnoses bottlenecks, and designs scaffolds in two forms: (i) strategies shared across a class of tasks and (ii) hints for individual hard tasks, adjusting the content and amount of support as the student learns. The scaffolds are removed at evaluation. We apply the same framework to ALFWorld, search-based QA, mathematical reasoning, and GPU kernel generation. When evaluated without scaffolds, students trained with AutoScaffold outperform those trained with the corresponding RL baselines in all four domains, with gains of 7.2 points in ALFWorld success and 4.0 points in average QA exact match. On GPU kernel generation, AutoScaffold increases the fraction of tasks with a correct kernel that runs faster than the PyTorch reference by up to 5.0 points. On math, our student surpasses QuestA's reported accuracy using approximately one-third as many student training steps. Analyses show that the teacher identifies a different failure in each task class and shifts its scaffolds from step-by-step workflows to targeted fixes as the student improves, and that its revised scaffolds help the student learn more than keeping the previous scaffold or using no scaffold.