Goto

Collaborating Authors

 Genre


CausalVerse: Benchmarking Causal Representation Learning with Configurable High-Fidelity Simulations

Neural Information Processing Systems

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,


Rationalized All-Atom Protein Design with Unified Multi-Modal Bayesian Flow

Neural Information Processing Systems

Designing functional proteins is a critical yet challenging problem due to the intricate interplay between backbone structures, sequences, and side-chains. Current approaches often decompose protein design into separate tasks, which can lead to accumulated errors, while recent efforts increasingly focus on all-atom protein design. However, we observe that existing all-atom generation approaches suffering from an information shortcut issue, where models inadvertently infer sequences from side-chain information, compromising their ability to accurately learn sequence distributions. To address this, we introduce a novel rationalized information flow strategy to eliminate the information shortcut. Furthermore, motivated by the advantages of Bayesian flows over differential equation-based methods, we propose the first Bayesian flow formulation for protein backbone orientations by recasting orientation modeling as an equivalent hyperspherical generation problem with antipodal symmetry. To validate, our method delivers consistently exceptional performance in both peptide and antibody design tasks.


Rebalancing Contrastive Alignment with Bottlenecked Semantic Increments in Text-Video Retrieval

Neural Information Processing Systems

Recent progress in text-video retrieval has been largely driven by contrastive learning. However, existing methods often overlook the effect of the modality gap, which causes anchor representations to undergo in-place optimization (i.e., optimization tension) that limits their alignment capacity. Moreover, noisy hard negatives further distort the semantics of anchors. To address these issues, we propose GARE, a Gap-Aware Retrieval framework that introduces a learnable, pair-specific increment ij between text ti and video vj, redistributing gradients to relieve optimization tension and absorb noise. We derive ij via a multivariate first-order Taylor expansion of the InfoNCE loss under a trust-region constraint, showing that it guides updates along locally consistent descent directions. A lightweight neural module conditioned on the semantic gap couples increments across batches for structure-aware correction. Furthermore, we regularize through a variational information bottleneck with relaxed compression, enhancing stability and semantic consistency. Experiments on four benchmarks demonstrate that GARE consistently improves alignment accuracy and robustness, validating the effectiveness of gap-aware tension mitigation.


QSVD: Efficient Low-rank Approximation for Unified Query-Key-Value Weight Compression in Low-Precision Vision-Language Models

Neural Information Processing Systems

Vision-Language Models (VLMs) are integral to tasks such as image captioning and visual question answering, but their high computational cost, driven by large memory footprints and processing time, limits their scalability and real-time applicability. In this work, we propose leveraging Singular-Value Decomposition (SVD) over the joint query (Q), key (K), and value (V) weight matrices to reduce KV cache size and computational overhead. We in addition introduce an efficient rank allocation strategy that dynamically adjusts the SVD rank based on its impact on VLM accuracy, achieving a significant reduction in both memory usage and computational cost. Finally, we extend this approach by applying quantization to both VLM weights and activations, resulting in a highly efficient VLM.


Optimal Spectral Transitions in High-Dimensional Multi-Index Models

Neural Information Processing Systems

We consider the problem of how many samples from a Gaussian multi-index model are required to weakly reconstruct the relevant index subspace. Despite its increasing popularity as a testbed for investigating the computational complexity of neural networks, results beyond the single-index setting remain elusive. In this work, we introduce spectral algorithms based on the linearization of a message passing scheme tailored to this problem. Our main contribution is to show that the proposed methods achieve the optimal reconstruction threshold. Leveraging a high-dimensional characterization of the algorithms, we show that above the critical threshold the leading eigenvector correlates with the relevant index subspace, a phenomenon reminiscent of the Baik-Ben Arous-Peche (BBP) transition in spiked models arising in random matrix theory.


Efficiently Verifiable Proofs of Data Attribution

Neural Information Processing Systems

Data attribution methods aim to answer useful counterfactual questions like "what would a ML model's prediction be if it were trained on a different dataset?" However, estimation of data attribution models through techniques like empirical influence or "datamodeling" remains very computationally expensive. This causes a critical trust issue: if only a few computationally rich parties can obtain data attributions, how can resource-constrained parties trust that the provided attributions are indeed "good," especially when they are used for important downstream applications (e.g., data pricing)? In this paper, we address this trust issue by proposing an interactive verification paradigm for data attribution. An untrusted and computationally powerful Prover learns data attributions, and then engages in an interactive proof with a resource-constrained Verifier.


ffab50f3cad7cb5733ca324e5be20976-Paper-Conference.pdf

Neural Information Processing Systems

The capacity of deep learning models is often large enough to both learn the underlying statistical signal and overfit to noise in the training set. This noise memorization can be harmful especially for data with a low signal-to-noise ratio (SNR), leading to poor generalization. Inspired by prior observations that label noise provides implicit regularization that improves generalization, in this work, we investigate whether introducing label noise to the gradient updates can enhance the test performance of neural network (NN) in the low SNR regime. Specifically, we consider training a two-layer NN with a simple label noise gradient descent (GD) algorithm, in an idealized signal-noise data setting. We prove that adding label noise during training suppresses noise memorization, preventing it from dominating the learning process; consequently, label noise GD enjoys rapid signal growth while the overfitting remains controlled, thereby achieving good generalization despite the low SNR. In contrast, we also show that NN trained with standard GD tends to overfit to noise in the same low SNR setting and establish a non-vanishing lower bound on its test error, thus demonstrating the benefit of introducing label noise in gradient-based training.


Clip-and-Verify: Linear Constraint-Driven Domain Clipping for Accelerating Neural Network Verification

Neural Information Processing Systems

State-of-the-art neural network (NN) verifiers demonstrate that applying the branchand-bound (BaB) procedure with fast bounding techniques plays a key role in tackling many challenging verification properties. In this work, we introduce the linear constraint-driven clipping framework, a class of scalable and efficient methods designed to enhance the efficacy of NN verifiers. Under this framework, we develop two novel algorithms that efficiently utilize linear constraints to 1) reduce portions of the input space that are either verified or irrelevant to a subproblem in the context of branch-and-bound, and 2) directly improve intermediate bounds throughout the network. The process novelly leverages linear constraints that often arise from bound propagation methods and is general enough to also incorporate constraints from other sources. It efficiently handles linear constraints using a specialized GPU procedure that can scale to large neural networks without the use of expensive external solvers. Our verification procedure, Clip-and-Verify, consistently tightens bounds across multiple benchmarks and can significantly reduce the number of subproblems handled during BaB. We show that our clipping algorithms can be integrated with BaB-based verifiers such as α,β-CROWN, utilizing either the split constraints in activation-space BaB or the output constraints that denote the unverified input space. We demonstrate the effectiveness of our procedure on a broad range of benchmarks where, in some instances, we witness a 96% reduction in the number of subproblems during branch-and-bound, and also achieve state-of-the-art verified accuracy across multiple benchmarks. Clip-and-Verify is part of the α,β-CROWNverifier, the VNN-COMP 2025 winner.


Do In Context Learning for Causal Effect Estimation

Neural Information Processing Systems

Causal effect estimation is critical to a range of scientific disciplines. Existing methods for this task either require interventional data, knowledge about the ground-truth causal graph, or rely on assumptions such as unconfoundedness, restricting their applicability in real-world settings. In the domain of tabular machine learning, Prior-data fitted networks (PFNs) have achieved state-of-theart predictive performance, having been pre-trained on synthetic causal data to solve tabular prediction problems via in-context learning. To assess whether this can be transferred to the problem of causal effect estimation, we pre-train PFNs on synthetic data drawn from a wide variety of causal structures, including interventions, to predict interventional outcomes given observational data. Through extensive experiments in synthetic and semi-synthetic settings, we show that our approach allows for the accurate estimation of causal effects without knowledge of the underlying causal graph.


Tight Asymptotics of Extreme Order Statistics

Neural Information Processing Systems

A classic statistical problem is to study the asymptotic behavior of the order statistics of a large number of independent samples taken from a distribution with finite expectation. This behavior has implications for several core problems in machine learning and economics -- including robust learning under adversarial noise, best-arm identification in bandit algorithms, revenue estimation in secondprice auctions, and the analysis of tail-sensitive statistics used in out-of-distribution detection. The research question we tackle in this paper is: How large can the expectation of the ℓ-th maximum of the n samples be? For ℓ = 1, i.e., the maximum, this expectation is known to grow as o(n), which can be shown to be tight. We show that there is a sharp contrast when considering any fixed ℓ > 1. Surprisingly, in