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.

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.

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.

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.

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).

Effective modeling of endangered marine mammal species, such as the North Atlantic Right Whale, is critical for balancing marine conservation with the growing blue economy. Passive acoustic monitoring data collected by autonomous underwater vehicles provide new opportunities for localized marine species detection and oceanographic sensing, but introduce complex statistical challenges such as zero inflation, imperfect detection, and intricate dependence structures. In response, we propose the Deep Zero-Inflated Bernoulli (DeepZIB) model--a deep statistical method which jointly models latent species presence and conditional detection probabilities while learning complex habitat relationships from heterogeneous covariate information. We establish theoretical results on the model's structural properties and conduct simulation experiments to demonstrate its ability to recover underlying parameters and latent presence fields. Application to real-world passive acoustic monitoring data on the North Atlantic Right Whale along the U.S. East Coast demonstrates improved model adequacy and predictive performance in capturing the species' dynamic and spatially varying habitat. A key advantage of DeepZIB is its ability to generate high-resolution, spatially and temporally varying presence maps, providing valuable insights for targeted and risk-aware management of blue economy industries, ranging from offshore and marine energy, to fisheries management and maritime transport.

Hidden Markov models are foundational for sequential inference, but their Markovian assumption fails under pathwise constraints such as precedence requirements, visitation cardinalities, or monotonic state progression, which induce long-range dependencies that invalidate standard dynamic programming algorithms. To deal with this, we present Controller-Augmented Hidden Markov Models (CHMMs), a framework that compiles each constraint into a finite-state controller tracking the minimal sufficient history, after which standard forward--backward and Viterbi recursions on the augmented chain compute exact constrained posteriors and maximum a posteriori paths in both discrete and continuous time, the latter through uniformization. We establish four theoretical guarantees: exactness of constrained inference, monotone ascent of constrained EM, inference complexity linear in the controller cardinality, and a total-variation bound under constraint misspecification. A catalog of controller encodings covering 11 constraint families across the ordering, visitation, path, and temporal categories operationalizes the framework. Empirically, we evaluate CHMMs against 6 alternative decoders on 3 real-world sequence-labeling tasks of substantively different character: gene-structure decoding in \emph{Drosophila melanogaster}, free-living activity recognition in CASAS smart-home environments, and protocol-defined human activity recognition from wearable sensors. The results reveal a clean local-versus-cumulative dichotomy in which controller augmentation is uniquely able to recover globally feasible trajectories on cumulative-constraint regimes, whilst simpler decoders are matched in validity on locally-dominated regimes. Together, theory and experiment characterize when exact controller augmentation is necessary and when simpler approaches suffice.

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.

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.

Conformal prediction has been explored as a general and efficient way to provide uncertainty quantification for time series. However, current methods struggle to handle time series data with change points -- sudden shifts in the underlying data-generating process. In this paper, we propose a novel Conformal Prediction for Time-series with Change points (CPTC) algorithm, addressing this gap by integrating a model to predict the underlying state with online conformal prediction to model uncertainties in non-stationary time series. We prove CPTC's validity and improved adaptivity in the time series setting under minimum assumptions, and demonstrate CPTC's practical effectiveness on 6 synthetic and real-world datasets, showing improved validity and adaptivity compared to state-of-the-art baselines.