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Certifying Stability of Reinforcement Learning Policies using Generalized Lyapunov Functions

Neural Information Processing Systems

Establishing stability certificates for closed-loop systems under reinforcement learning (RL) policies is essential to move beyond empirical performance and offer guarantees of system behavior. Classical Lyapunov methods require a strict stepwise decrease in the Lyapunov function but such certificates are difficult to construct for learned policies. The RL value function is a natural candidate but it is not well understood how it can be adapted for this purpose. To gain intuition, we first study the linear quadratic regulator (LQR) problem and make two key observations. First, a Lyapunov function can be obtained from the value function of an LQR policy by augmenting it with a residual term related to the system dynamics and stage cost.


ReplaceMe: Network Simplification via Depth Pruning and Transformer Block Linearization

Neural Information Processing Systems

We introduce ReplaceMe, a generalized training-free depth pruning method that effectively replaces transformer blocks with a linear operation, while maintaining high performance for low compression ratios. In contrast to conventional pruning approaches that require additional training or fine-tuning, our approach requires only a small calibration dataset that is used to estimate a linear transformation, which approximates the pruned blocks. The estimated linear mapping can be seamlessly merged with the remaining transformer blocks, eliminating the need for any additional network parameters. Our experiments show that ReplaceMe consistently outperforms other training-free approaches and remains highly competitive with state-of-the-art pruning methods that involve extensive retraining/fine-tuning and architectural modifications. Applied to several large language models (LLMs), ReplaceMe achieves up to 25% pruning while retaining approximately 90% of the original model's performance on open benchmarks--without any training or healing steps, resulting in minimal computational overhead.


Fairness-Regularized Online Optimization with Switching Costs

Neural Information Processing Systems

Fairness and action smoothness are two crucial considerations in many online optimization problems, but they have yet to be addressed simultaneously. In this paper, we study a new and challenging setting of fairness-regularized smoothed online convex optimization with switching costs. First, to highlight the fundamental challenges introduced by the long-term fairness regularizer evaluated based on the entire sequence of actions, we prove that even without switching costs, no online algorithms can possibly achieve a sublinear regret or finite competitive ratio compared to the offline optimal algorithm as the problem episode length T increases. Then, we propose FairOBD(Fairness-regularized Online Balanced Descent), which reconciles the tension between minimizing the hitting cost, switching cost, and fairness cost.


Adjoint Schrรถdinger Bridge Sampler

Neural Information Processing Systems

Computational methods for learning to sample from the Boltzmann distribution-- where the target distribution is known only up to an unnormalized energy function-- have advanced significantly recently. Due to the lack of explicit target samples, however, prior diffusion-based methods, known as diffusion samplers, often require importance-weighted estimation or complicated learning processes.


Paper2Poster: Towards Multimodal Poster Automation from Scientific Papers

Neural Information Processing Systems

Academic poster generation is a crucial yet challenging task in scientific communication, requiring the compression of long-context interleaved documents into a single, visually coherent page. To address this challenge, we introduce the first benchmark and metric suite for poster generation, which pairs recent conference papers with author-designed posters and evaluates outputs on (i) Visual Quality--semantic alignment with human posters, (ii) Textual Coherence--language fluency, (iii) Holistic Assessment--six fine-grained aesthetic and informational criteria scored by a VLM-as-judge, and notably (iv) PaperQuiz--the poster's ability to convey core paper content as measured by VLMs answering generated quizzes. Building on this benchmark, we propose PosterAgent, a top-down, visualin-the-loop multi-agent pipeline: the (a) Parser distills the paper into a structured asset library; the (b) Planner aligns text-visual pairs into a binary-tree layout that preserves reading order and spatial balance; and the (c) Painter-Commenter loop refines each panel by executing rendering code and using VLM feedback to eliminate overflow and ensure alignment. In our comprehensive evaluation, we find that GPT-4o outputs--though visually appealing at first glance--often exhibit noisy text and poor PaperQuiz scores, and we find that reader engagement is the primary aesthetic bottleneck, as human-designed posters rely largely on visual semantics to convey meaning. Our fully open-source variants (e.g., based on the Qwen-2.5 series) outperform existing 4o-driven multi-agent systems across nearly all metrics, while using 87%fewer tokens. It transforms a 22-page paper into a finalized yet editable '.pptx' poster -- all for just $0.005. These findings chart clear directions for the next generation of fully automated poster-generation models.


ConStellaration: A dataset of QI-like stellarator plasma boundaries and optimization benchmarks

Neural Information Processing Systems

Stellarators are magnetic confinement devices under active development to deliver steady-state carbon-free fusion energy. Their design involves a high-dimensional, constrained optimization problem that requires expensive physics simulations and significant domain expertise. Recent advances in plasma physics and open-source tools have made stellarator optimization more accessible. However, broader community progress is currently bottlenecked by the lack of standardized optimization problems with strong baselines and datasets that enable data-driven approaches, particularly for quasi-isodynamic (QI) stellarator configurations, considered as a promising path to commercial fusion due to their inherent resilience to currentdriven disruptions. Here, we release an open dataset of diverse QI-like stellarator plasma boundary shapes, paired with their ideal magnetohydrodynamic (MHD) equilibria and performance metrics. We generated this dataset by sampling a variety of QI fields and optimizing corresponding stellarator plasma boundaries. We introduce three optimization benchmarks of increasing complexity: (1) a singleobjective geometric optimization problem, (2) a "simple-to-build" QI stellarator, and (3) a multi-objective ideal-MHD stable QI stellarator that investigates trade-offs between compactness and coil simplicity. For every benchmark, we provide reference code, evaluation scripts, and strong baselines based on classical optimization techniques. Finally, we show how learned models trained on our dataset can efficiently generate novel, feasible configurations without querying expensive physics oracles.


Metropolis Adjusted Microcanonical Hamiltonian Monte Carlo

Neural Information Processing Systems

Sampling from high dimensional distributions is a computational bottleneck in many scientific applications. Hamiltonian Monte Carlo (HMC), and in particular the No-U-Turn Sampler (NUTS), are widely used, yet they struggle on problems with a very large number of parameters or a complicated geometry. Microcanonical Langevin Monte Carlo (MCLMC) has been recently proposed as an alternative which shows striking gains in efficiency over NUTS, especially for high-dimensional problems. However, it produces biased samples, with a bias that is hard to control in general. We introduce the Metropolis-Adjusted Microcanonical sampler (MAMS), which relies on the same dynamics as MCLMC, but introduces a Metropolis-Hastings step and thus produces asymptotically unbiased samples. We develop an automated tuning scheme for the hyperparameters of the algorithm, making it applicable out of the box. We demonstrate that MAMS outperforms NUTS across the board on benchmark problems of varying complexity and dimensionality, achieving up to a factor of seven speedup.


SSTAG: Structure-Aware Self-Supervised Learning Method for Text-Attributed Graphs

Neural Information Processing Systems

Large-scale pre-trained models have revolutionized Natural Language Processing (NLP) and Computer Vision (CV), showcasing remarkable cross-domain generalization abilities. However, in graph learning, models are typically trained on individual graph datasets, limiting their capacity to transfer knowledge across different graphs and tasks. This approach also heavily relies on large volumes of annotated data, which presents a significant challenge in resource-constrained settings. Unlike NLP and CV, graph-structured data presents unique challenges due to its inherent heterogeneity, including domain-specific feature spaces and structural diversity across various applications. To address these challenges, we propose a novel structure-aware self-supervised learning method for Text-Attributed Graphs (SSTAG).


Geometric Mixture Models for Electrolyte Conductivity Prediction

Neural Information Processing Systems

Accurate prediction of ionic conductivity in electrolyte systems is crucial for advancing numerous scientific and technological applications. While significant progress has been made, current research faces two fundamental challenges: (1) the lack of high-quality standardized benchmarks, and (2) inadequate modeling of geometric structure and intermolecular interactions in mixture systems. To address these limitations, we first reorganize and enhance the CALiSol and DiffMix electrolyte datasets by incorporating geometric graph representations of molecules. We then propose GeoMix, a novel geometry-aware framework that preserves Set-SE(3) equivariance--an essential but challenging property for mixture systems. At the heart of GeoMix lies the Geometric Interaction Network (GIN), an equivariant module specifically designed for intermolecular geometric message passing. Comprehensive experiments demonstrate that GeoMix consistently outperforms diverse baselines (including MLPs, GNNs, and geometric GNNs) across both datasets, validating the importance of cross-molecular geometric interactions and equivariant message passing for accurate property prediction. This work not only establishes new benchmarks for electrolyte research but also provides a general geometric learning framework that advances modeling of mixture systems in energy materials, pharmaceutical development, and beyond.


ZeroS: Zero-Sum Linear Attention for Efficient Transformers

Neural Information Processing Systems

Linear attention methods offer Transformers O(N) complexity but typically underperform standard softmax attention. We identify two fundamental limitations affecting these approaches: the restriction to convex combinations that only permits additive information blending, and uniform accumulated weight bias that dilutes attention in long contexts. We propose Zero-Sum Linear Attention (ZeroS), which addresses these limitations by removing the constant zero-order term 1/t and reweighting the remaining zero-sum softmax residuals. This modification creates mathematically stable weights, enabling both positive and negative values and allowing a single attention layer to perform contrastive operations. While maintaining O(N)complexity, ZeroS theoretically expands the set of representable functions compared to convex combinations. Empirically, it matches or exceeds standard softmax attention across various sequence modeling benchmarks. The code implementation is available at this link.