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BrainEC-LLM: Brain Effective Connectivity Estimation via Multiscale Mixing LLM

Neural Information Processing Systems

Pre-trained Large language models (LLMs) have shown impressive advancements in functional magnetic resonance imaging (fMRI) analysis and causal discovery. Considering the unique nature of the causal discovery field, which focuses on extracting causal graphs from observed data, research on LLMs in this field is still at an early exploratory stage. As a subfield of causal discovery, effective connectivity (EC) has received even less attention, and LLM-based approaches in EC remain unexplored. Existing LLM-based approaches for causal discovery typically rely on iterative querying to assess the causal influence between variable pairs, without any model adaptation or fine-tuning, making them ill-suited for handling the cross-modal gap and complex causal structures. To this end, we propose BrainECLLM, the first method to fine-tune LLMs for estimating brain EC from fMRI data. Specifically, multiscale decomposition mixing module decomposes fMRI time series data into short-term and long-term multiscale trends, then mixing them in bottom-up (fine to coarse) and top-down (coarse to fine) manner to extract multiscale temporal variations. And cross attention is applied with pre-trained word embeddings to ensure consistency between the fMRI input and pre-trained natural language. The experimental results on simulated and real resting-state fMRI datasets demonstrate that BrainEC-LLM can achieve superior performance when compared to state-of-the-art baselines. The code is available at https: //github.com/XiongWenXww/BrainEC-LLM.


Less Greedy Equivalence Search

Neural Information Processing Systems

Greedy Equivalence Search (GES) is a classic score-based algorithm for causal discovery from observational data. In the sample limit, it recovers the Markov equivalence class of graphs that describe the data. Still, it faces two challenges in practice: computational cost and finite-sample accuracy. In this paper, we develop Less Greedy Equivalence Search (LGES), a variant of GES that retains its theoretical guarantees while partially addressing these limitations. LGES modifies the greedy step; rather than always applying the highest-scoring insertion, it avoids edge insertions between variables for which the score implies some conditional independence.


Crucible: Quantifying the Potential of Control Algorithms through LLMAgents

Neural Information Processing Systems

Control algorithms in production environments typically require domain experts to tune their parameters and logic for specific scenarios. However, existing research predominantly focuses on algorithmic performance under ideal or default configurations, overlooking the critical aspect of Tuning Potential. To bridge this gap, we introduce Crucible, an agent that employs an LLM-driven, multi-level expert simulation to turn algorithms and defines a formalized metric to quantitatively evaluate their Tuning Potential. We demonstrate Crucible's effectiveness across a wide spectrum of case studies, from classic control tasks to complex computer systems, and validate its findings in a real-world deployment. Our experimental results reveal that Crucible systematically quantifies the tunable space across different algorithms. Furthermore, Crucibleprovides a new dimension for algorithm analysis and design, which ultimately leads to performance improvements.


Minitron-SSM: Efficient Hybrid Language Model Compression through Group-Aware SSMPruning

Neural Information Processing Systems

Hybrid language models that combine Attention and State Space Models (SSMs) have been shown to achieve state-of-the-art accuracy and runtime performance. Recent work has also demonstrated that applying pruning and distillation to Attentiononly models yields smaller, more accurate models at a fraction of the training cost. In this work, we explore the effectiveness of compressing Hybrid architectures. To this end, we introduce a novel group-aware pruning method for Mamba layers that preserves the structural integrity of SSM blocks and their sequence modeling capabilities. We combine this method with FFN, embedding dimension, and layer pruning, along with knowledge distillation-based retraining to obtain a unified compression recipe for hybrid models. Using this recipe, we compress the Nemotron-H 8BHybrid model down to 4B parameters with up to 40 fewer training tokens compared to similarly-sized models.


b238324b309da12c7446d92c14db9f7e-Paper-Conference.pdf

Neural Information Processing Systems

Multimodal hallucination in multimodal large language models (MLLMs) restricts the correctness of MLLMs. However, multimodal hallucinations are multi-sourced and arise from diverse causes. Existing benchmarks fail to adequately distinguish between perception-induced hallucinations and reasoning-induced hallucinations. This failure constitutes a significant issue and hinders the diagnosis of multimodal reasoning failures within MLLMs. To address this, we propose the MIRAGE benchmark, which isolates reasoning hallucinations by constructing questions where input images are correctly perceived by MLLMs yet reasoning errors persist. MIRAGE introduces multi-granular evaluation metrics: accuracy, factuality, and LLMs hallucination score for hallucination quantification. Our analysis reveals that (1) the model scale, data scale, and training stages significantly affect the degree of logical, fabrication, and factual hallucinations; (2) current MLLMs show no effective improvement on spatial hallucinations caused by misinterpreted spatial relationships, indicating their limited visual reasoning capabilities; and (3) question types correlate with distinct hallucination patterns, highlighting targeted challenges and potential mitigation strategies. To address these challenges, we propose Logos, a method that combines curriculum reinforcement fine-tuning to encourage models to generate logic-consistent reasoning chains by stepwise reducing learning difficulty, and collaborative hint inference to reduce reasoning complexity. Logos establishes a baseline on MIRAGE, and reduces the logical hallucinations in original base models.


Mars-Bench: ABenchmark for Evaluating Foundation Models for Mars Science Tasks

Neural Information Processing Systems

Foundation models have enabled rapid progress across many specialized domains by leveraging large-scale pre-training on unlabeled data, demonstrating strong generalization to a variety of downstream tasks. While such models have gained significant attention in fields like Earth Observation, their application to Mars science remains limited. A key enabler of progress in other domains has been the availability of standardized benchmarks that support systematic evaluation. In contrast, Mars science lacks such benchmarks and standardized evaluation frameworks, which have limited progress toward developing foundation models for Martian tasks. To address this gap, we introduce Mars-Bench, the first benchmark designed to systematically evaluate models across a broad range of Mars-related tasks using both orbital and surface imagery.


Adv-SSL: Adversarial Self-Supervised Representation Learning with Theoretical Guarantees

Neural Information Processing Systems

Learning transferable data representations from abundant unlabeled data remains a central challenge in machine learning. Although numerous self-supervised learning methods have been proposed to address this challenge, a significant class of these approaches aligns the covariance or correlation matrix with the identity matrix. Despite impressive performance across various downstream tasks, these methods often suffer from biased sample risk, leading to substantial optimization shifts in mini-batch settings and complicating theoretical analysis. In this paper, we introduce a novel Adversarial Self-Supervised Representation Learning (AdvSSL) for unbiased transfer learning with no additional cost compared to its biased counterparts. Our approach not only outperforms the existing methods across multiple benchmark datasets but is also supported by comprehensive end-to-end theoretical guarantees. Our analysis reveals that the minimax optimization in AdvSSL encourages representations to form well-separated clusters in the embedding space, provided there is sufficient upstream unlabeled data. As a result, our method achieves strong classification performance even with limited downstream labels, shedding new light on few-shot learning.


Decomposing motor units through elimination for real-time intention driven assistive neurotechnology

Neural Information Processing Systems

Extracting neural signals at the single motor neuron level provides an optimal control signal for neuroprosthetic applications. However, current algorithms to decompose motor units from high-density electromyography (HD-EMG) are timeconsuming and inconsistent, limiting their application to controlled scenarios in a research setting. We introduce MUelim, an algorithm for efficient motor unit decomposition that uses approximate joint diagonalization with a subtractive approach to rapidly identify and refine candidate sources. The algorithm incorporates an extend-lag procedure to augment data for enhanced source separability prior to diagonalization. By systematically iterating and eliminating redundant or noisy sources, MUelim achieves high decomposition accuracy while significantly reducing computational complexity, making it well-suited for real-time applications.


Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets

Neural Information Processing Systems

Chemical reaction prediction remains a fundamental challenge in organic chemistry, where existing machine learning models face two critical limitations: sensitivity to input permutations (molecule/atom orderings) and inadequate modeling of substructural interactions governing reactivity. These shortcomings lead to inconsistent predictions and poor generalization to real-world scenarios. To address these challenges, we propose ReaDISH, a novel reaction prediction model that learns permutation-invariant representations while incorporating interaction-aware features. It introduces two innovations: (1) symmetric difference shingle encoding, which extends the differential reaction fingerprint (DRFP) by representing shingles as continuous high-dimensional embeddings, capturing structural changes while eliminating order sensitivity; and (2) geometry-structure interaction attention, a mechanism that models intra-and inter-molecular interactions at the shingle level. Extensive experiments demonstrate that ReaDISH improves reaction prediction performance across diverse benchmarks. It shows enhanced robustness with an average improvement of 8.76% on R2 under permutation perturbations.1