Causal Representation Learning (CRL) aims to uncover the data-generating process and identify the underlying causal variables and relations, whose evaluation remains inherently challenging due to the requirement of known ground-truth causal variables and causal structure. Existing evaluations often rely on either simplistic synthetic datasets or downstream performance on real-world tasks, generally suffering a dilemma between realism and evaluative precision. In this paper, we introduce a new benchmark for CRL using high-fidelity simulated visual data that retains both realistic visual complexity and, more importantly, access to groundtruth causal generating processes. The dataset comprises around 200 thousand images and 3 million video frames across 24 sub-scenes in four domains: static image generation, dynamic physical simulations, robotic manipulations, and traffic situation analysis. These scenarios range from static to dynamic settings, simple to complex structures, and single to multi-agent interactions, offering a comprehensive testbed that hopefully bridges the gap between rigorous evaluation and real-world applicability. In addition, we provide flexible access to the underlying causal structures, allowing users to modify or configure them to align with the required assumptions in CRL, such as available domain labels, temporal dependencies, or intervention histories. Leveraging this benchmark, we evaluated representative CRL methods across diverse paradigms and offered empirical insights to assist practitioners and newcomers in choosing or extending appropriate CRL frameworks to properly address specific types of real problems that can benefit from the CRL perspective. Welcome to visit our: Project page: causal-verse.github.io,

Multi-arm bandit experimental designs are increasingly being adopted over standard randomized trials due to their potential to improve outcomes for study participants, enable faster identification of the best-performing options, and/or enhance the precision of estimating key parameters. Current approaches for inference after adaptive sampling either rely on asymptotic normality under restricted experiment designs or underpowered martingale concentration inequalities that lead to weak power in practice. To bypass these limitations, we propose a simulation-based approach for conducting hypothesis tests and constructing confidence intervals for arm specific means and their differences. Our simulation-based approach uses positively biased nuisances to generate additional trajectories of the experiment, which we call simulation with optimism. Using these simulations, we characterize the distribution potentially non-normal sample mean test statistic to conduct inference. We provide guarantees for (i) asymptotic type I error control, (ii) convergence of our confidence intervals, and (iii) asymptotic strong consistency of our estimator over a wide variety of common bandit designs. Our empirical results show that our approach achieves the desired coverage while reducing confidence interval widths by up to 50%, with drastic improvements for arms not targeted by the design.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, we present a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g.

Motion simulation, prediction and planning are foundational tasks in autonomous driving, each essential for modeling and reasoning about dynamic traffic scenarios. While often addressed in isolation due to their differing objectives, such as generating diverse motion states or estimating optimal trajectories, these tasks inherently depend on shared capabilities: understanding multi-agent interactions, modeling motion behaviors, and reasoning over temporal and spatial dynamics. Despite this underlying commonality, existing approaches typically adopt specialized model designs, which hinders cross-task generalization and system scalability. More critically, this separation overlooks the potential mutual benefits among tasks. Motivated by these observations, we propose UniMotion, a unified motion framework that captures shared structures across motion tasks while accommodating their individual requirements. Built on a decoder-only Transformer architecture, UniMotion employs dedicated interaction modes and tailored training strategies to simultaneously support these motion tasks. This unified design not only enables joint optimization and representation sharing but also allows for targeted fine-tuning to specialize in individual tasks when needed. Extensive experiments on the Waymo Open Motion Dataset demonstrate that joint training leads to robust generalization and effective task integration. With further fine-tuning, UniMotion achieves state-of-the-art performance across a range of motion tasks, establishing it as a versatile and scalable solution for autonomous driving.

In settings where ML models are used to inform the allocation of resources, agents affected by the allocation decisions might have an incentive to strategically change their features to secure better outcomes. While prior work has studied strategic responses broadly, disentangling misreporting from genuine adaptation remains a fundamental challenge. In this paper, we propose a causally-motivated approach to identify and quantify how much an agent misreports on average by distinguishing deceptive changes in their features from genuine adaptation. Our key insight is that, unlike genuine adaptation, misreported features do not causally affect downstream variables (i.e., causal descendants). We exploit this asymmetry by comparing the causal effect of misreported features on their causal descendants as derived from manipulated datasets against those from unmanipulated datasets. We formally prove identifiability of the misreporting rate and characterize the variance of our estimator. We empirically validate our theoretical results using a semi-synthetic and real Medicare dataset with misreported data, demonstrating that our approach can be employed to identify misreporting in real-world scenarios.

Understanding protein dynamics is critical for elucidating their biological functions. The increasing availability of molecular dynamics (MD) data enables the training of deep generative models to efficiently explore the conformational space of proteins. However, existing approaches either fail to explicitly capture the temporal dependencies between conformations or do not support direct generation of time-independent samples. To address these limitations, we introduce CONFROVER, an autoregressive model that simultaneously learns protein conformation and dynamics from MD trajectories, supporting both time-dependent and time-independent sampling. At the core of our model is a modular architecture comprising: (i) an encoding layer, adapted from protein folding models, that embeds protein-specific information and conformation at each time frame into a latent space; (ii) a temporal module, a sequence model that captures conformational dynamics across frames; and (iii) an SE(3) diffusion model as the structure decoder, generating conformations in continuous space. Experiments on ATLAS, a large-scale protein MD dataset of diverse structures, demonstrate the effectiveness of our model in learning conformational dynamics and supporting a wide range of downstream tasks. CONFROVER is the first model to sample both protein conformations and trajectories within a single framework, offering a novel and flexible approach for learning from protein MD data.

As the economic and environmental costs of training and deploying large vision or language models increase dramatically, analog in-memory computing (AIMC) emerges as a promising energy-efficient solution. However, the training perspective, especially its training dynamics, is underexplored. In AIMC hardware, the trainable weights are represented by the conductance of resistive elements and updated using consecutive electrical pulses. While the conductance changes by a constant in response to each pulse, in reality, the change is scaled by asymmetric and non-linear response functions, leading to a non-ideal training dynamics. This paper provides a theoretical foundation for gradient-based training on AIMC hardware with nonideal response functions.

Characterizing the cellular properties of neurons is fundamental to understanding their function in the brain. In this quest, the generation of bio-realistic models is central towards integrating multimodal cellular data sets and establishing causal relationships. However, current modeling approaches remain constrained by the limited availability and intrinsic variability of experimental neuronal data. The deterministic formalism of bio-realistic models currently precludes accounting for the natural variability observed experimentally. While deep learning is becoming increasingly relevant in this space, it fails to capture the full biophysical complexity of neurons, their nonlinear voltage dynamics, and variability.

Vehicle aerodynamics optimization has become critical for automotive electrification, where drag reduction directly determines electric vehicle range and energy efficiency. Traditional approaches face an intractable trade-off: computationally expensive Computational Fluid Dynamics (CFD) simulations requiring weeks per design iteration, or simplified models that sacrifice production-grade accuracy. While machine learning offers transformative potential, existing datasets exhibit fundamental limitations--inadequate mesh resolution, missing vehicle components, and validation errors exceeding 5%--preventing deployment in industrial workflows. We present DrivAerStar, comprising 12,000 industrial-grade automotive CFD simulations generated using STAR-CCM+ software. The dataset systematically explores three vehicle configurations through 20 Computer Aided Design (CAD) parameters via Free Form Deformation (FFD) algorithms, including complete engine compartments and cooling systems with realistic internal airflow. DrivAerStar achieves wind tunnel validation accuracy below 1.04%-- a five-fold improvement over existing datasets--through refined mesh strategies with strict wall y` control. Benchmarks demonstrate that models trained on this data achieve production-ready accuracy while reducing computational costs from weeks to minutes. This represents the first dataset bridging academic machine learning research and industrial CFD practice, establishing a new standard for data-driven aerodynamic optimization in automotive development. Beyond automotive applications, DrivAerStardemonstrates a paradigm for integrating highfidelity physics simulations with Artificial Intelligence (AI) across engineering disciplines where computational constraints currently limit innovation.

Tactile sensing is crucial for achieving human-level robotic capabilities in ma-nipulation tasks [ 54].