Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and \textit{de novo} generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, and incorporating synthetic feasibility constraints, are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.

The integration of IoT and AI has unlocked innovation across industries, but growing privacy concerns and data isolation hinder progress. Traditional centralized ML struggles to overcome these challenges, which has led to the rise of Federated Learning (FL), a decentralized paradigm that enables collaborative model training without sharing local raw data. FL ensures data privacy, reduces communication overhead, and supports scalability, yet its heterogeneity adds complexity compared to centralized approaches. This survey focuses on three main FL research directions: personalization, optimization, and robustness, offering a structured classification through a hybrid methodology that combines bibliometric analysis with systematic review to identify the most influential works. We examine challenges and techniques related to heterogeneity, efficiency, security, and privacy, and provide a comprehensive overview of aggregation strategies, including architectures, synchronization methods, and diverse federation objectives. To complement this, we discuss practical evaluation approaches and present experiments comparing aggregation methods under IID and non-IID data distributions. Finally, we outline promising research directions to advance FL, aiming to guide future innovation in this rapidly evolving field.

When deep learning models are sequentially trained on new data, they tend to abruptly lose performance on previously learned tasks, a critical failure known as catastrophic forgetting. This challenge severely limits the deployment of AI in medical imaging, where models must continually adapt to data from new hospitals without compromising established diagnostic knowledge. To address this, we introduce a latent drift-guided replay method that identifies and replays samples with high representational instability. Specifically, our method quantifies this instability via latent drift, the change in a sample internal feature representation after naive domain adaptation. To ensure diversity and clinical relevance, we aggregate drift at the patient level, our memory buffer stores the per patient slices exhibiting the greatest multi-layer representation shift. Evaluated on a cross-hospital COVID-19 CT classification task using state-of-the-art CNN and Vision Transformer backbones, our method substantially reduces forgetting compared to naive fine-tuning and random replay. This work highlights latent drift as a practical and interpretable replay signal for advancing robust continual learning in real world medical settings.

Eye tracking has become increasingly important in virtual and augmented reality applications; however, the current gaze accuracy falls short of meeting the requirements for spatial computing. We designed a gaze collection framework and utilized high-precision equipment to gather the first precise benchmark dataset, GazeTrack, encompassing diverse ethnicities, ages, and visual acuity conditions for pupil localization and gaze tracking. We propose a novel shape error regularization method to constrain pupil ellipse fitting and train on open-source datasets, enhancing semantic segmentation and pupil position prediction accuracy. Additionally, we invent a novel coordinate transformation method similar to paper unfolding to accurately predict gaze vectors on the GazeTrack dataset. Finally, we built a gaze vector generation model that achieves reduced gaze angle error with lower computational complexity compared to other methods.Please refer to our project page for more details: https://github.com/---(please

Deploying Large Language Model (LLM) services at the edge benefits latency-sensitive and privacy-aware applications. However, the stateless nature of LLMs makes managing user context (e.g., sessions, preferences) across geo-distributed edge nodes challenging. Existing solutions, such as client-side context storage, often introduce network latency and bandwidth overhead, undermining the advantages of edge deployment. We propose DisCEdge, a distributed context management system that stores and replicates user context in tokenized form across edge nodes. By maintaining context as token sequences rather than raw text, our system avoids redundant computation and enables efficient data replication. We implement and evaluate an open-source prototype in a realistic edge environment with commodity hardware. We show DisCEdge improves median response times by up to 14.46% and lowers median inter-node synchronization overhead by up to 15% compared to a raw-text-based system. It also reduces client request sizes by a median of 90% compared to client-side context management, while guaranteeing data consistency.

Large language models (LLMs) such as ChatGPT o1, ChatGPT o3, and DeepSeek R1 have shown great potential in solving difficult problems. However, current LLM evaluation benchmarks are limited to one-step interactions. Some of the existing sequence decision-making environments, such as TextStarCraftII and LLM-PySC2, are too complicated and require hours of interaction to complete a game. In this paper, we introduce LLM-Cave, a benchmark and light environment for LLM reasoning and decision-making systems. This environment is a classic instance in the era of Symbolism. Artificial intelligence enables the agent to explore the environment and avoid potential losses by reasoning about nearby dangers using partial observable state information. In the experiment, we evaluated the sequential reasoning ability, decision-making performance and computational efficiency of mainstream large language models (LLMs) such as GPT-4o-mini, o1-mini, and DeepSeek-R1. Experiments show that while Deepseek-R1 achieved the highest success rate on complex reasoning tasks, smaller models like 4o-mini significantly narrowed the performance gap on challenges by employing Chain of Speculation and Planner-Critic strategies, at the expense of reduced computational efficiency. This indicates that structured, multi-step reasoning combined with an LLM-based feedback mechanism can substantially enhance an LLM's decision-making capabilities, providing a promising direction for improving reasoning in weaker models and suggesting a new reasoning-centered benchmark for LLM assessment. Our code is open-sourced in https://github.com/puleya1277/CaveEnv.

In the supervised binary classification setting, score-oriented losses have been introduced with the aim of optimizing a chosen performance metric directly during the training phase, thus avoiding \textit{a posteriori} threshold tuning. To do this, in their construction, the decision threshold is treated as a random variable provided with a certain \textit{a priori} distribution. In this paper, we use a recently introduced multidimensional threshold-based classification framework to extend such score-oriented losses to multiclass classification, defining the Multiclass Score-Oriented Loss (MultiSOL) functions. As also demonstrated by several classification experiments, this proposed family of losses is designed to preserve the main advantages observed in the binary setting, such as the direct optimization of the target metric and the robustness to class imbalance, achieving performance comparable to other state-of-the-art loss functions and providing new insights into the interaction between simplex geometry and score-oriented learning.

Hardware-in-the-Loop (HIL) testing is essential for automotive validation but suffers from fragmented and underutilized test artifacts. This paper presents HIL-GPT, a retrieval-augmented generation (RAG) system integrating domain-adapted large language models (LLMs) with semantic retrieval. HIL-GPT leverages embedding fine-tuning using a domain-specific dataset constructed via heuristic mining and LLM-assisted synthesis, combined with vector indexing for scalable, traceable test case and requirement retrieval. Experiments show that fine-tuned compact models, such as \texttt{bge-base-en-v1.5}, achieve a superior trade-off between accuracy, latency, and cost compared to larger models, challenging the notion that bigger is always better. An A/B user study further confirms that RAG-enhanced assistants improve perceived helpfulness, truthfulness, and satisfaction over general-purpose LLMs. These findings provide insights for deploying efficient, domain-aligned LLM-based assistants in industrial HIL environments.

This technical report presents a comprehensive formal verification approach for probabilistic agent systems modeling ballistic rocket flight trajectories using Probabilistic Alternating-Time Temporal Logic (PATL). We describe an innovative verification framework specifically designed for analyzing critical safety properties of ballistic rockets engineered to achieve microgravity conditions for scientific experimentation. Our model integrates authentic flight telemetry data encompassing velocity vectors, pitch angles, attitude parameters, and GPS coordinates to construct probabilistic state transition systems that rigorously account for environmental stochasticity, particularly meteorological variability. We formalize mission-critical safety properties through PATL specifications to systematically identify trajectory deviation states where the rocket risks landing in prohibited or hazardous zones. The verification framework facilitates real-time safety monitoring and enables automated intervention mechanisms, including emergency engine disengagement protocols, when predefined safety thresholds are exceeded. Experimental validation demonstrates the practical effectiveness and reliability of our approach in ensuring mission safety while maintaining scientific mission objectives.

Large language models have made significant progress in mathematical reasoning, which serves as an important testbed for AI and could impact scientific research if further advanced. By scaling reasoning with reinforcement learning that rewards correct final answers, LLMs have improved from poor performance to saturating quantitative reasoning competitions like AIME and HMMT in one year. However, this approach faces fundamental limitations. Pursuing higher final answer accuracy doesn't address a key issue: correct answers don't guarantee correct reasoning. Moreover, many mathematical tasks like theorem proving require rigorous step-by-step derivation rather than numerical answers, making final answer rewards inapplicable. To push the limits of deep reasoning, we believe it is necessary to verify the comprehensiveness and rigor of mathematical reasoning. Self-verification is particularly important for scaling test-time compute, especially for open problems without known solutions. Towards self-verifiable mathematical reasoning, we investigate how to train an accurate and faithful LLM-based verifier for theorem proving. We then train a proof generator using the verifier as the reward model, and incentivize the generator to identify and resolve as many issues as possible in their own proofs before finalizing them. To maintain the generation-verification gap as the generator becomes stronger, we propose to scale verification compute to automatically label new hard-to-verify proofs, creating training data to further improve the verifier. Our resulting model, DeepSeekMath-V2, demonstrates strong theorem-proving capabilities, achieving gold-level scores on IMO 2025 and CMO 2024 and a near-perfect 118/120 on Putnam 2024 with scaled test-time compute.