#01Jul 23, 2026
math.ST
Optimal use of a black-box learner in semiparametric estimation
Yihong Gu
Consider the partial linear model $Y = μ_0(X) + β_0 \cdot T + \varepsilon$ and $T = π_0(X) + u$ in the structure-agnostic setting, where we are blind to the structure $μ_0$ and $π_0$ and estimate the nuisances by a black-box hypothesis class. The learnability of the class is characterized by the estimation error $δ_s$ in the absence of model misspecification and its $L_2$ mis-specification error $δ_{a, μ}$ and $δ_{a, π}$ for $μ_0$ and $π_0$, respectively. We propose a novel estimator of the target linear coefficient $θ_0 = β_0$ with error rate \[ \frac{1}{\sqrt{n}} + δ_{a, μ} \cdot δ_{a, π} + [δ_s]^2. \] A matching lower bound is also established, implying that this rate is unimprovable. Compared with the product rate yielded by double machine learning (DML), our estimator removes the suboptimal term $\max(δ_{a, μ}, δ_{a, π})\cdot δ_s$ at no extra cost or assumption. Building on the underlying insights, which are neither tailored to the one-learner setting nor the partial linear model, we propose Transductive Adversarial Moment-calibrated Editing (TAME), which locally edits debiasing weights induced by black-box regression estimates on the inference sample through adversarial conditional moment calibration. TAME can be combined with any initial black-box estimates and can strictly improve on DML guarantees when the nuisance difficulties are imbalanced. We discuss how to fully exploit the advantages introduced by TAME, including the gains from using two learners, the resulting under-smoothing principle for model selection, and extensions to other linear functional estimation problems.
#02Jul 23, 2026
cs.LG
Compact Latent Coordination for Autonomous Vehicles at Unsignalized Intersections
Gil Lifshits, Igal Bilik, Gilad Katz
Coordinating autonomous vehicles at unsignalized intersections remains a critical challenge for multi-agent reinforcement learning (MARL) systems, which typically struggle with combinatorial action spaces, reliance on privileged information, or rigid agent designs. We propose Master-Agent Proto-plan System (MAPS), a hierarchical deep reinforcement learning (DRL) architecture in which a centralized Master agent generates a compact, continuous embedding, denoted as proto-plan, that encodes a global coordination strategy. Decentralized Worker agents integrate this embedding with local observations to execute vehicle-specific control, decoupling strategic intent from tactical execution and enabling independent optimization of each module. As a proof-of-concept evaluation of this coordination mechanism, we test MAPS across 72 intersection configurations in HighwayEnv. MAPS achieves collision-free navigation while significantly reducing average travel time, outperforming state-of-the-art baselines. The learned proto-plans further exhibit robust generalization: a system trained with three agents achieves a 94% success rate when deployed zero-shot to five-agent scenarios, confirming that proto-plan-based hierarchical learning provides a promising framework for multi-vehicle coordination.
#03Jul 23, 2026
cs.LG
Graph Learning on Ensembles of Cyclic Peptides: An Investigation of Molecular Ensemble Modeling
Aaron Feller, Kris Deibler, Maxim Secor
Molecular property prediction from structure often uses a single representative conformation, even though many molecules exist as conformational ensembles in solution. We introduce EnsembleEGNN, a molecular ensemble foundation model that encodes an ensemble by first encoding each conformer with shared Equivariant Graph Neural Network (EGNN) layers, then pooling the resulting conformer representations with a Set Attention Block. We pretrain the model on CREMP, a cyclic peptide ensemble dataset, using a multi-task self-supervised objective combining masked token recovery, noisy-coordinate reconstruction, and pairwise distance reconstruction. On the CREMP-CycPeptMPDB dataset, training EnsembleEGNN from scratch fails entirely ($R^2=0.005$). However, the pretrained model reaches $R^2=0.477$ and Pearson $r=0.699$, outperforming the sequence-only BERT baseline ($R^2=0.439$, Pearson $r=0.667$). When EnsembleEGNN is co-trained end-to-end with the BERT sequence encoder, the hybrid model improves further to $R^2=0.538$ and Pearson $r=0.737$. These results demonstrate that encoding conformational ensembles into a single thermodynamically informed embedding improves cyclic-peptide property prediction.
#04Jul 23, 2026
cs.CV
3D-Aware VLMs with Implicit and Explicit Geometries
Wenhao Li, Xueying Jiang, Quanhao Qian and 4 more
Despite rapid progress, most existing vision-language models (VLMs) built from 2D visual inputs often struggle when handling various 3D tasks that require fine-grained spatial understanding and reasoning. To bridge this gap, we present VLM-IE3D, a unified framework that enhances the 3D spatial awareness of VLMs by equipping them with both implicit and explicit 3D geometries learned from RGB videos. Our VLM-IE3D introduces Implicit Geometry Tokens (IGTs) that capture high-level geometric priors from input videos, as well as complementary Explicit Geometry Tokens (EGTs) that encode detailed geometric structures from reconstructed 3D attributes. On top of that, VLM-IE3D comes with a 3D-aware adapter that effectively fuses the two types of geometric representations with 2D visual cues. This RGB-only design injects strong 3D inductive biases for fine-grained spatial understanding and reasoning without requiring any additional 3D inputs. Extensive experiments show that VLM-IE3D achieves superior performance consistently across various 3D tasks including 3D video detection, 3D visual grounding, 3D dense captioning, and spatial reasoning. Code and models are available at https://github.com/Vegetebird/VLM-IE3D.
#05Jul 23, 2026
cs.LG
Expanding Flow Maps
Sophia Tang, Pranam Chatterjee
Flow-based generative models have enabled remarkable progress in fast and controllable generation across continuous and discrete state spaces, yet existing parameterizations are constrained to fixed dimensions or fixed sequence lengths. Here, we introduce Expanding Generative Flows (EFlows), which define flows between distributions of increasing dimensionality along an expanding interpolant that grows the state by augmenting it with conditional noise. Building on this construction, we propose Expanding Flow Maps (EFMs), a new class of flow maps that distill the expanding interpolant into efficient few-step generative models. Each EFM factors the map between any two timesteps into two learnable operations: an expand operator, which augments the state space with new coordinates or tokens conditioned on the current state, and a transport map, which pushes the expanded state forward along the interpolant. Composing these operators yields a single map that jointly expands and denoises the state, recovering existing fixed-canvas flows and flow maps as the special case in which the expand operator is the identity. We further extend the framework to the discrete simplex, enabling variable-size graph generation and variable-length sequence generation. Across both continuous and discrete modalities, we establish EFlows and EFMs as a principled framework for settings in which output size is itself a learned, controllable degree of freedom.