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Stabilizing LTISystems under Partial Observability: Sample Complexity and Fundamental Limits

Neural Information Processing Systems

We study the problem of stabilizing an unknown partially observable linear timeinvariant (LTI) system. For fully observable systems, the state-of-the-art approaches leverage an unstable/stable subspace decomposition to achieve sample complexity that depends only on the number of unstable modes, independent of the dimension of the system state. However, it remains open whether such sample complexity can be achieved for partially observable systems because such systems do not admit a uniquely identifiable unstable subspace. In this paper, we propose LTS-P, a novel technique that leverages compressed singular value decomposition (SVD) on the "lifted" Hankel matrix to estimate the unstable subsystem up to an unknown transformation.


Balancing Performance and Costs in Best Arm Identification

Neural Information Processing Systems

We consider the problem of identifying the best arm in a multi-armed bandit model. Despite a wealth of literature in the traditional fixed budget and fixed confidence regimes of the best arm identification problem, it still remains a mystery to most practitioners as to how to choose an approach and corresponding budget or confidence parameter. We propose a new formalism to avoid this dilemma altogether by minimizing a risk functional which explicitly balances the performance of the recommended arm and the cost incurred by learning this arm. In this framework, a cost is incurred for each observation during the sampling phase, and upon recommending an arm, a performance penalty is incurred for identifying a suboptimal arm. The learner's goal is to minimize the sum of the penalty and cost. This new regime mirrors the priorities of many practitioners, e.g.


MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation

Neural Information Processing Systems

Mass spectrometry (MS) plays a critical role in molecular identification, significantly advancing scientific discovery. However, structure elucidation from MS data remains challenging due to the scarcity of annotated spectra. While largescale pretraining has proven effective in addressing data scarcity in other domains, applying this paradigm to mass spectrometry is hindered by the complexity and heterogeneity of raw spectral signals. To address this, we propose MS-BART, a unified modeling framework that maps mass spectra and molecular structures into a shared token vocabulary, enabling cross-modal learning through large-scale pretraining on reliably computed fingerprint-molecule datasets. Multi-task pretraining objectives further enhance MS-BART's generalization by jointly optimizing denoising and translation task. The pretrained model is subsequently transferred to experimental spectra through finetuning on fingerprint predictions generated with MIST, a pre-trained spectral inference model, thereby enhancing robustness to real-world spectral variability. While finetuning alleviates the distributional difference, MS-BART still suffers molecular hallucination and requires further alignment. We therefore introduce a chemical feedback mechanism that guides the model toward generating molecules closer to the reference structure. Extensive evaluations demonstrate that MS-BART achieves SOTA performance across 5/12 key metrics on MassSpecGym and NPLIB1 and is faster by one order of magnitude than competing diffusion-based methods, while comprehensive ablation studies systematically validate the model's effectiveness and robustness.


Constrained Best Arm Identification

Neural Information Processing Systems

In real-world decision-making problems, one needs to pick among multiple policies the one that performs best while respecting economic constraints. This motivates the problem of constrained best-arm identification for bandit problems where every arm is a joint distribution of reward and cost. We investigate the general case where reward and cost are dependent. The goal is to accurately identify the arm with the highest mean reward among all arms whose mean cost is below a given threshold. We prove information-theoretic lower bounds on the sample complexity for three models: Gaussian with fixed covariance, Gaussian with unknown covariance, and non-parametric distributions of rectangular support. We propose a combination of a sampling and a stopping rule that correctly identifies the constrained best arm and matches the optimal sample complexities for each of the three models. Simulations demonstrate the performance of our algorithms.


Functional Matching of Logic Subgraphs: Beyond Structural Isomorphism

Neural Information Processing Systems

Subgraph matching in logic circuits is foundational for numerous Electronic Design Automation (EDA) applications, including datapath optimization, arithmetic verification, and hardware trojan detection. However, existing techniques rely primarily on structural graph isomorphism and thus fail to identify function-related subgraphs when synthesis transformations substantially alter circuit topology. To overcome this critical limitation, we introduce the concept of functional subgraph matching, a novel approach that identifies whether a given logic function is implicitly present within a larger circuit, irrespective of structural variations induced by synthesis or technology mapping. Specifically, we propose a two-stage multi-modal framework: (1) learning robust functional embeddings across AIG and post-mapping netlists for functional subgraph detection, and (2) identifying fuzzy boundaries using a graph segmentation approach. Evaluations on standard benchmarks (ITC99, OpenABCD, ForgeEDA) demonstrate significant performance improvements over existing structural methods, with average 93.8% accuracy in functional subgraph detection and a dice score of 91.3% in fuzzy boundary identification. The source code and implementation details can be found at our repository.


Optimal Adjustment Sets for Nonparametric Estimation of Weighted Controlled Direct Effect

Neural Information Processing Systems

The weighted controlled direct effect (WCDE) generalizes the standard controlled direct effect (CDE) by averaging over the mediator distribution, providing a robust estimate when treatment effects vary across mediator levels. This makes the WCDE especially relevant in fairness analysis, where it isolates the direct effect of an exposure on an outcome, independent of mediating pathways. This work establishes three fundamental advances for WCDE in observational studies: First, we establish necessary and sufficient conditions for the identifiability of the WCDE, clarifying when it diverges from the CDE. Next, we consider nonparametric estimation of the WCDE and derive its influence function, focusing on the class of regular and asymptotically linear estimators. Lastly, we characterize the optimal covariate adjustment set that minimizes the asymptotic variance, demonstrating how mediator-confounder interactions introduce distinct requirements compared to average treatment effect (ATE) estimation. Using synthetic and real-world data, we validate our theory numerically, showing that the proposed optimal valid adjustment set yields the lowest variance at practical sample sizes. Our results offer a principled framework for efficient estimation of direct effects in complex causal systems, with practical applications in fairness and mediation analysis.


Faster Generic Identification in Tree-Shaped Structural Causal Models

Neural Information Processing Systems

Linear structural causal models (SCMs) are used to analyze the relationships between random variables. Directed edges represent direct causal effects and bidirected edges represent hidden confounders. Generically identifying the causal parameters from observed correlations between the random variables is an open problem in causality.


Supplementary Materials AGMMU: AComprehensive Agricultural Multimodal Understanding Benchmark Aruna Gauba1,2,5 Irene Pi1,3,5 Yunze Man1,4,5 Ziqi Pang1,4,5 Vikram S. Adve1,4,5 Yu-Xiong Wang1,4,5

Neural Information Processing Systems

Our evaluation and analysis are conducted mainly on the group of models listed in Table 2 in the13 main paper. We have chosen models such that they cover most of the popular and best-performing14 methods used by recent multimodal understanding work. In this part, we discuss all the models we15 have used in our experiments and explain their evaluation details, the public checkpoints we have16 chosen, and display the prompts we used to adapt the model to our datasets.17 During evaluation, we chose to follow the standard prompt provided by the authors whenever possi-18 ble for multiple-choice and short-answer questions. When the prompt is not provided for the model,19 we select a custom prompt that is created through several iterations of prompt engineering to select20 the one that produces the most effective results. The images are always included as the prefix.21 We used three proprietary models in our evaluation: GPT-o4-mini [1], Gem-22 ini 1.5 Pro [9], and Claude 3 Haiku [10]. Below we note the model API version used for evaluation.23 GPT-o4-mini: May 13-15, 2025.24 Cambrian-1 is a recent state-of-the-art model that excels at visual-centric tasks.27 This model explores combinations of vision encoders, text and image integration techniques, and28 instruction tuning strategies. We use the official implementation and checkpoint1 with a LLaMA3-29 8B-Instruct LLM backbone model in our evaluation.30 InternVL scales up the vision foundation model while aligning it with the back-31 bone LLM, and is trained on web-scale image-text data to achieve strong performance across a vari-32 ety of vision-centric tasks. We use the official implementation and checkpoint2 with the InternViT-33 300M-448px vision backbone and Internlm2.5-7B-chat LLaMA-3.2 is the first collection of multimodal large language model from the35 LLaMA family that was previously text-only. The integration of vision involves utilizing cross-36 attention layers and a pre-trained vision encoder that feeds directly into the text-processor. The37 model follows a commonly used training recipe that includes pretraining on noisy image-text pairs38 and then high-quality knowledge enhanced pairs. Notably, the language-model parameters were39 frozen during the training of alignment of image and text to retain strong text-only capabilities. We40 use the official implementation and checkpoint3 that uses a LLaMA-3.1 text-only language backbone41 in our evaluation. When evaluating the model, we choose to use a custom prompt since no standard42 prompt is provided.43


AGMMU: AComprehensive Agricultural Multimodal Understanding Benchmark

Neural Information Processing Systems

Unlike prior datasets that rely on crowdsourced prompts, AGMMU is distilled from 116,231 authentic dialogues between everyday growers and USDAauthorized Cooperative Extension experts. Through a three-stage pipeline: automated knowledge extraction, QA generation, and human verification, we construct (i) AGMMU, an evaluation set of 746 multiple-choice questions (MCQs) and 746 open-ended questions (OEQs), and (ii) AGBASE, a development corpus of 57,079 multimodal facts covering five high-stakes agricultural topics: insect identification, species identification, disease categorization, symptom description, and management instruction. AGMMU has three key advantages: Authentic & Expert-Verified: All facts, images, and answers originate from real farmer and gardener inquiries answered by credentialed specialists, ensuring high-fidelity agricultural knowledge. Complete Development Suite: AGMMU uniquely couples a dual-format evaluation benchmark (MCQ and OEQ) with AGBASE, a large-scale training set, enabling both rigorous assessment and targeted improvement of VLMs. Knowledge-intensive Challenge: Our tasks demand the synergy of nuanced visual perception and domain expertise, exposing fundamental limitations of current general-purpose models and charting a path toward robust, application-ready agricultural AI. Benchmarking 12 leading VLMs reveals pronounced gaps in fine-grained perception and factual grounding. Open-sourced models trail after proprietary ones by a wide margin. Simple fine-tuning on AGBASE boosts open-sourced model performance on challenging OEQs for up to 11.6% on average, narrowing this gap and also motivating future research to propose better strategies in knowledge extraction and distillation from AGBASE. We hope AGMMU stimulates research on domain-specific knowledge integration and trustworthy decision support in agriculture AI development.


ConnectomeBench: Can LLMs Proofread the Connectome?

Neural Information Processing Systems

Connectomics--the mapping of neural connections in an organism's brain--currently requires extraordinary human effort to proofread the data collected from imaging and machine-learning assisted segmentation. With the growing excitement around using AI agents to automate important scientific tasks, we explore whether current AI systems can perform multiple tasks necessary for data proofreading. We introduce ConnectomeBench, a multimodal benchmark evaluating large language model (LLM) capabilities in three critical proofreading tasks: segment type identification, split error correction, and merge error detection. Using expert annotated data from two large open-source datasets--a cubic millimeter of mouse visual cortex and the complete Drosophila brain--we evaluate proprietary multimodal LLMs including Claude 3.7/4 Sonnet, o4-mini, GPT-4.1,