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TREND: Unsupervised 3DRepresentation Learning via Temporal Forecasting for LiDARPerception

Neural Information Processing Systems

Labeling LiDAR point clouds is notoriously time-and-energy-consuming, which spurs recent unsupervised 3D representation learning methods to alleviate the labeling burden in LiDAR perception via pretrained weights. Existing work focus on either masked auto encoding or contrastive learning on LiDAR point clouds, which neglects the temporal LiDAR sequence that naturally accounts for object motion (and their semantics). Instead, we propose TREND, short for Temporal REndering with Neural fielD, to learn 3D representation via forecasting the future observation in an unsupervised manner. TREND integrates forecasting for 3D pretraining through a Recurrent Embedding scheme to generate 3D embeddings across time and a Temporal LiDARNeural Field specifically designed for LiDAR modality to represent the 3D scene, with which we compute the loss using differentiable rendering. We evaluate TREND on 3D object detection and LiDAR semantic segmentation tasks on popular datasets, including Once, Waymo, NuScenes, and SemanticKITTI. TREND generally improves from-scratch models across datasets and tasks and brings gains of 1.77% mAP on Once and 2.11% mAP on NuScenes, which are up to 400%more improvement compared to previous SOTA unsupervised 3D pre-training methods. Codes and models will be available here.


CoC-VLA: Delving into Adversarial Domain Transfer for Explainable Autonomous Driving via Chain-of-Causality Visual-Language-Action Model

Neural Information Processing Systems

Autonomous driving represents a prominent application of artificial intelligence. Recent approaches have shifted from focusing solely on common scenarios to addressing complex, long-tail situations such as subtle human behaviors, traffic accidents, and non-compliant driving patterns. Given the demonstrated capabilities of large language models (LLMs) in understanding visual and natural language inputs and following instructions, recent methods have integrated LLMs into autonomous driving systems to enhance reasoning, interpretability, and performance across diverse scenarios. However, existing methods typically rely either on realworld data, which is suitable for industrial deployment, or on simulation data tailored to rare or hard case scenarios. Few approaches effectively integrate the complementary advantages of both data sources.


EraseFlow Learning Concept Erasure Policies via Driven Alignment

Neural Information Processing Systems

Erasing harmful or proprietary concepts from powerful text-to-image generators is an emerging safety requirement, yet current "concept erasure" techniques either collapse image quality, rely on brittle adversarial losses, or demand prohibitive retraining cycles. We trace these limitations to a myopic view of the denoising trajectories that govern diffusion-based generation. We introduce EraseFlow, the first framework that casts concept unlearning as exploration in the space of denoising paths and optimizes it with GFlowNets equipped with the trajectory-balance objective. By sampling entire trajectories rather than single end states, EraseFlow learns a stochastic policy that steers generation away from target concepts while preserving the model's prior. EraseFloweliminates the need for carefully crafted reward models and by doing this, it generalizes effectively to unseen concepts and avoids hackable rewards while improving the performance. Extensive empirical results demonstrate that EraseFlowoutperforms existing baselines and achieves an optimal trade-off between performance and prior preservation. Warning: This paper may contain content that may seem as offensive in nature.


Stability and Oracle Inequalities for Optimal Transport Maps between General Distributions

Neural Information Processing Systems

Optimal transport (OT) provides a powerful framework for comparing and transforming probability distributions, with wide applications in generative modeling, AI4Science and statistical inference. However, existing estimation theory typically requires stringent smoothness conditions on the underlying Brenier potentials and assumes bounded distribution supports, limiting practical applicability. In this paper, we introduce a unified theoretical framework for semi-dual OT map estimation that relaxes both of these restrictions. Building on sieved convex conjugate, our framework has two key contributions: (i) a new map stability bounds that holds without any second-order regularity assumptions on the true Brenier potentials, and (ii) an oracle inequality that cleanly decomposes the estimation error into statistical error, sieved bias, and approximation error. Specifically, our approximation error is measured in the L1 norm rather than Sobolev norm in the existing results, aligning more naturally with classical approximation theory. Leveraging these tools, we provide statistical error of semi-dual estimators with mild and verifiable conditions on the true OT map. Moreover, we establish the first theoretical guarantee for deep neural network OT map estimator between general distributions, with Tanh network function class as an example.


Improved Algorithms for Overlapping and Robust Clustering of Edge-Colored Hypergraphs: An LP-Based Combinatorial Approach

Neural Information Processing Systems

Clustering is a fundamental task in both machine learning and data mining. Among various methods, edge-colored clustering (ECC) has emerged as a useful approach for handling categorical data. Given a hypergraph with (hyper)edges labeled by colors, ECC aims to assign vertex colors to minimize the number of edges where the vertex color differs from the edge's color. However, traditional ECC has inherent limitations, as it enforces a nonoverlapping and exhaustive clustering. To tackle these limitations, three versions of ECC have been studied: LOCALECC and GLOBALECC, which allow overlapping clusters, and ROBUSTECC, which accounts for vertex outliers.


Extragradient Method for (L0,L1)-Lipschitz Root-finding Problems

Neural Information Processing Systems

Introduced by Korpelevich in 1976, the extragradient method (EG) has become a cornerstone technique for solving min-max optimization, root-finding problems, and variational inequalities (VIs). Despite its longstanding presence and significant attention within the optimization community, most works focusing on understanding its convergence guarantees assume the strong L-Lipschitz condition. In this work, building on the proposed assumptions by Zhang et al. [2020b] for minimization and Vankov et al. [2024] for VIs, we focus on the more relaxed ฮฑ-symmetric (L0,L1)-Lipschitz condition. This condition generalizes the standard Lipschitz assumption by allowing the Lipschitz constant to scale with the operator norm, providing a more refined characterization of problem structures in modern machine learning. Under the ฮฑ-symmetric (L0,L1)-Lipschitz condition, we propose a novel step size strategy for EG to solve root-finding problems and establish sublinear convergence rates for monotone operators and linear convergence rates for strongly monotone operators. Additionally, we prove local convergence guarantees for weak Minty operators. We supplement our analysis with experiments validating our theory and demonstrating the effectiveness and robustness of the proposed step sizes for EG.


RETRO-R1: LLM-based Agentic Retrosynthesis

Neural Information Processing Systems

Retrosynthetic planning is a fundamental task in chemical discovery. Due to the vast combinatorial search space, identifying viable synthetic routes remains a significant challenge-even for expert chemists. Recent advances in Large Language Models (LLMs), particularly equipped with reinforcement learning, have demonstrated strong human-like reasoning and planning abilities, especially in mathematics and code problem solving. This raises a natural question: Can the reasoning capabilities of LLMs be harnessed to develop an AI chemist capable of learning effective policies for multi-step retrosynthesis? In this study, we introduce RETROR1, a novel LLM-based retrosynthesis agent trained via reinforcement learning to design molecular synthesis pathways. Unlike prior approaches, which typically rely on single-turn, question-answering formats, RETRO-R1 interacts dynamically with plug-in single-step retrosynthesis tools and learns from environmental feedback. Experimental results show that RETRO-R1 achieves a 55.79% pass@1 success rate, surpassing the previous state of the art by 8.95%. Notably, RETRO-R1 demonstrates strong generalization to out-of-domain test cases, where existing methods tend to fail despite their high in-domain performance. Our work marks a significant step toward equipping LLMs with advanced, chemist-like reasoning abilities, highlighting the promise of reinforcement learning for enabling data-efficient, generalizable, and sophisticated scientific problem-solving in LLM-based agents.


LUNA: Efficient and Topology-Agnostic Foundation Model for EEGSignal Analysis

Neural Information Processing Systems

Electroencephalography (EEG) offers a non-invasive lens into human brain activity, but building large-scale models is hampered by topological heterogeneity: each public EEG data defines its own electrode layout, limiting generalization. We introduce LUNA (Latent Unified Network Architecture), a self-supervised foundation model that reconciles disparate electrode geometries while scaling linearly--not quadratically--with channel count. LUNA compresses multi-channel EEG into a fixed-size, topology-agnostic latent space via learned queries and cross-attention. Downstream transformer blocks then operate exclusively on this latent representation using patch-wise temporal self-attention, decoupling computation from electrode count.


SeCon-RAG: ATwo-Stage Semantic Filtering and Conflict-Free Framework for Trustworthy RAG

Neural Information Processing Systems

Retrieval-augmented generation (RAG) systems enhance large language models (LLMs) with external knowledge but are vulnerable to corpus poisoning and contamination attacks, which can compromise output integrity. Existing defenses often apply aggressive filtering, leading to unnecessary loss of valuable information and reduced reliability in generation. To address this problem, we propose a two-stage semantic filtering and conflict-free framework for trustworthy RAG. In the first stage, we perform a joint filter with semantic and cluster-based filtering which is guided by the Entity-intent-relation extractor (EIRE). EIRE extracts entities, latent objectives, and entity relations from both the user query and filtered documents, scores their semantic relevance, and selectively adds valuable documents into the clean retrieval database. In the second stage, we proposed an EIRE-guided conflict-aware filtering module, which analyzes semantic consistency between the query, candidate answers, and retrieved knowledge before final answer generation, filtering out internal and external contradictions that could mislead the model. Through this two-stage process, SeCon-RAG effectively preserves useful knowledge while mitigating conflict contamination, achieving significant improvements in both generation robustness and output trustworthiness. Extensive experiments across various LLMs and datasets demonstrate that the proposed SeCon-RAG markedly outperforms state-of-the-art defense methods.


Generative Model Inversion Through the Lens of the Manifold Hypothesis

Neural Information Processing Systems

Model inversion attacks (MIAs) aim to reconstruct class-representative samples from trained models. Recent generative MIAs utilize generative adversarial networks to learn image priors that guide the inversion process, yielding reconstructions with high visual quality and strong fidelity to the private training data. To explore the reason behind their effectiveness, we begin by examining the gradients of inversion loss w.r.t.