Accurate greenhouse gas (GHG) emission reporting is critical for governments, businesses, and investors. However, adoption remains limited particularly among small and medium enterprises due to high implementation costs, fragmented emission factor databases, and a lack of robust sector classification methods. To address these challenges, we introduce Group Reasoning Emission Estimation Networks (GREEN), an AI-driven carbon accounting framework that standardizes enterprise-level emission estimation, constructs a large-scale benchmark dataset, and leverages a novel reasoning approach with large language models (LLMs). Specifically, we compile textual descriptions for 20,850 companies with validated North American Industry Classification System (NAICS) labels and align these with an economic model of carbon intensity factors. By reframing sector classification as an information retrieval task, we fine-tune Sentence-BERT models using a contrastive learning loss. To overcome the limitations of single-stage models in handling thousands of hierarchical categories, we propose a Group Reasoning method that ensembles LLM classifiers based on the natural NAICS ontology, decomposing the task into multiple sub-classification steps. We theoretically prove that this approach reduces classification uncertainty and computational complexity. Experiments on 1,114 NAICS categories yield state-of-the-art performance (83.68% Top-1, 91.47% Top-10 accuracy), and case studies on 20 companies report a mean absolute percentage error (MAPE) of 45.88%. The project is available at: https://huggingface.co/datasets/Yvnminc/ExioNAICS.

In this position paper, we argue that understanding the relation between structure in the data distribution and structure in trained models is central to AI alignment. First, we discuss how two neural networks can have equivalent performance on the training set but compute their outputs in essentially different ways and thus generalise differently. For this reason, standard testing and evaluation are insufficient for obtaining assurances of safety for widely deployed generally intelligent systems. We argue that to progress beyond evaluation to a robust mathematical science of AI alignment, we need to develop statistical foundations for an understanding of the relation between structure in the data distribution, internal structure in models, and how these structures underlie generalisation.

Decision-focused learning (DFL) integrates predictive models with downstream optimization, directly training machine learning models to minimize decision errors. While DFL has been shown to provide substantial advantages when compared to a counterpart that treats the predictive and prescriptive models separately, it has also been shown to struggle in high-dimensional and risk-sensitive settings, limiting its applicability in real-world settings. To address this limitation, this paper introduces decision-focused generative learning (Gen-DFL), a novel framework that leverages generative models to adaptively model uncertainty and improve decision quality. Instead of relying on fixed uncertainty sets, Gen-DFL learns a structured representation of the optimization parameters and samples from the tail regions of the learned distribution to enhance robustness against worst-case scenarios. This approach mitigates over-conservatism while capturing complex dependencies in the parameter space. The paper shows, theoretically, that Gen-DFL achieves improved worst-case performance bounds compared to traditional DFL. Empirically, it evaluates Gen-DFL on various scheduling and logistics problems, demonstrating its strong performance against existing DFL methods.

Power distribution networks are evolving due to the integration of DERs and increased customer participation. To maintain optimal operation, minimize losses, and meet varying load demands, frequent network reconfiguration is necessary. Traditionally, the reconfiguration task relies on optimization software and expert operators, but as systems grow more complex, faster and more adaptive solutions are required without expert intervention. Data-driven reconfiguration is gaining traction for its accuracy, speed, and robustness against incomplete network data. LLMs, with their ability to capture complex patterns, offer a promising approach for efficient and responsive network reconfiguration in evolving complex power networks. In this work, we introduce LLM4DistReconfig, a deep learning-based approach utilizing a fine-tuned LLM to solve the distribution network reconfiguration problem. By carefully crafting prompts and designing a custom loss function, we train the LLM with inputs representing network parameters such as buses, available lines, open lines, node voltages, and system loss. The model then predicts optimal reconfigurations by outputting updated network configurations that minimize system loss while meeting operational constraints. Our approach significantly reduces inference time compared to classical algorithms, allowing for near real-time optimal reconfiguration after training. Experimental results show that our method generates optimal configurations minimizing system loss for five individual and a combined test dataset. It also produces minimal invalid edges, no cycles, or subgraphs across all datasets, fulfilling domain-specific needs. Additionally, the generated responses contain less than 5% improper outputs on seen networks and satisfactory results on unseen networks, demonstrating its effectiveness and reliability for the reconfiguration task.

Conformal prediction for time series presents two key challenges: (1) leveraging sequential correlations in features and non-conformity scores and (2) handling multi-dimensional outcomes. We propose a novel conformal prediction method to address these two key challenges by integrating Transformer and Normalizing Flow. Specifically, the Transformer encodes the historical context of time series, and normalizing flow learns the transformation from the base distribution to the distribution of non-conformity scores conditioned on the encoded historical context. This enables the construction of prediction regions by transforming samples from the base distribution using the learned conditional flow. We ensure the marginal coverage by defining the prediction regions as sets in the transformed space that correspond to a predefined probability mass in the base distribution. The model is trained end-to-end by Flow Matching, avoiding the need for computationally intensive numerical solutions of ordinary differential equations. We demonstrate that our proposed method achieves smaller prediction regions compared to the baselines while satisfying the desired coverage through comprehensive experiments using simulated and real-world time series datasets.

Large language models (LLMs) are increasingly recognized for their exceptional generative capabilities and versatility across various tasks. However, the high inference costs associated with these models have not received adequate attention, particularly when compared to the focus on training costs in existing research. In response to this gap, our study conducts a comprehensive benchmarking of LLM inference energy across a wide range of NLP tasks, where we analyze the impact of different models, tasks, prompts, and system-related factors on inference energy. Specifically, our experiments reveal several interesting insights, including strong correlation of inference energy with output token length and response time. Also, we find that quantization and optimal batch sizes, along with targeted prompt phrases, can significantly reduce energy usage. This study is the first to thoroughly benchmark LLM inference across such a diverse range of aspects, providing insights and offering several recommendations for improving energy efficiency in model deployment.

In this work, we present a novel approach to system identification for dynamical systems, based on a specific class of Deep Gaussian Processes (Deep GPs). These models are constructed by interconnecting linear dynamic GPs (equivalent to stochastic linear time-invariant dynamical systems) and static GPs (to model static nonlinearities). Our approach combines the strengths of data-driven methods, such as those based on neural network architectures, with the ability to output a probability distribution. This offers a more comprehensive framework for system identification that includes uncertainty quantification. Using both simulated and real-world data, we demonstrate the effectiveness of the proposed approach.

We present a novel framework for online learning in Stackelberg general-sum games, where two agents, the leader and follower, engage in sequential turn-based interactions. At the core of this approach is a learned diffeomorphism that maps the joint action space to a smooth Riemannian manifold, referred to as the Stackelberg manifold. This mapping, facilitated by neural normalizing flows, ensures the formation of tractable isoplanar subspaces, enabling efficient techniques for online learning. By assuming linearity between the agents' reward functions on the Stackelberg manifold, our construct allows the application of standard bandit algorithms. We then provide a rigorous theoretical basis for regret minimization on convex manifolds and establish finite-time bounds on simple regret for learning Stackelberg equilibria. This integration of manifold learning into game theory uncovers a previously unrecognized potential for neural normalizing flows as an effective tool for multi-agent learning. We present empirical results demonstrating the effectiveness of our approach compared to standard baselines, with applications spanning domains such as cybersecurity and economic supply chain optimization.

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem formulation space to identify optimal design formulations in line with decision-maker preferences. By mapping various design scenarios to a multi attribute utility function, our approach enables the system to balance conflicting objectives such as ductility, yield strength, density, and solidification range without requiring an exact problem definition at the outset. We demonstrate the efficacy of our method through an in silico case study on a Mo-Nb-Ti-V-W alloy system targeted for gas turbine engine blade applications. The framework converges on a sweet spot that satisfies critical performance thresholds, illustrating that integrating problem formulation discovery into the autonomous design loop can significantly streamline the experimental process. Future work will incorporate human feedback to further enhance the adaptability of the system in real-world experimental settings.

One-max search is a classic problem in online decision-making, in which a trader acts on a sequence of revealed prices and accepts one of them irrevocably to maximise its profit. The problem has been studied both in probabilistic and in worst-case settings, notably through competitive analysis, and more recently in learning-augmented settings in which the trader has access to a prediction on the sequence. However, existing approaches either lack smoothness, or do not achieve optimal worst-case guarantees: they do not attain the best possible trade-off between the consistency and the robustness of the algorithm. We close this gap by presenting the first algorithm that simultaneously achieves both of these important objectives. Furthermore, we show how to leverage the obtained smoothness to provide an analysis of one-max search in stochastic learning-augmented settings which capture randomness in both the observed prices and the prediction.