OpenRaiser/Intern-Atlas huggingface dataset:
TreeBoN: Enhancing Inference-Time Alignment with Speculative Tree-Search and Best-of-N Sampling
Venue: arXiv cs.CL 2025
Year: 2025

Inference-time alignment enhances the performance of large language models without requiring additional training or fine-tuning but presents challenges due to balancing computational efficiency with high-quality output. Best-of-N (BoN) sampling, as a simple yet powerful approach, generates multiple responses and selects the best one, achieving improved performance but with a high computational cost. We propose TreeBoN, a novel framework that integrates a speculative tree-search strategy into Best-of-N (BoN) Sampling. TreeBoN maintains a set of parent nodes, iteratively branching and pruning low-quality responses, thereby reducing computational overhead while maintaining high output quality. Our approach also leverages token-level rewards from Direct Preference Optimization (DPO) to guide tree expansion and prune low-quality paths. We evaluate TreeBoN using AlpacaFarm, HH-RLHF, UltraFeedback, GSM8K, and TutorEval datasets, demonstrating consistent improvements. Specifically, TreeBoN achieves the highest win rate of 65% on TutorEval and around 60% win rates across other different datasets, outperforming standard BoN with the same computational cost and showcasing its scalability and alignment efficacy.
ExDBN: Learning Dynamic Bayesian Networks using Extended Mixed-Integer Programming Formulations
Venue: arXiv cs.LG 2025
Year: 2025

Causal learning from data has received much attention recently. Bayesian networks can be used to capture causal relationships. There, one recovers a weighted directed acyclic graph in which random variables are represented by vertices, and the weights associated with each edge represent the strengths of the causal relationships between them. This concept is extended to capture dynamic effects by introducing a dependency on past data, which may be captured by the structural equation model. This formalism is utilized in the present contribution to propose a score-based learning algorithm. A mixed-integer quadratic program is formulated and an algorithmic solution proposed, in which the pre-generation of exponentially many acyclicity constraints is avoided by utilizing the so-called branch-and-cut (``lazy constraint'') method. Comparing the novel approach to the state-of-the-art, we show that the proposed approach turns out to produce more accurate results when applied to small and medium-sized synthetic instances containing up to 80 time series. Lastly, two interesting applications in bioscience and finance, to which the method is directly applied, further stress the importance of developing highly accurate, globally convergent solvers that can handle instances of modest size.
Pantograph: A Machine-to-Machine Interaction Interface for Advanced Theorem Proving, High Level Reasoning, and Data Extraction in Lean 4
Venue: arXiv cs.LO 2025
Year: 2025

Machine-assisted theorem proving refers to the process of conducting structured reasoning to automatically generate proofs for mathematical theorems. Recently, there has been a surge of interest in using machine learning models in conjunction with proof assistants to perform this task. In this paper, we introduce Pantograph, a tool that provides a versatile interface to the Lean 4 proof assistant and enables efficient proof search via powerful search algorithms such as Monte Carlo Tree Search. In addition, Pantograph enables high-level reasoning by enabling a more robust handling of Lean 4's inference steps. We provide an overview of Pantograph's architecture and features. We also report on an illustrative use case: using machine learning models and proof sketches to prove Lean 4 theorems. Pantograph's innovative features pave the way for more advanced machine learning models to perform complex proof searches and high-level reasoning, equipping future researchers to design more versatile and powerful theorem provers.
Approximate Feedback Nash Equilibria with Sparse Inter-Agent Dependencies
Venue: arXiv cs.GT 2025
Year: 2025

Feedback Nash equilibrium strategies in multi-agent dynamic games require availability of all players' state information to compute control actions. However, in real-world scenarios, sensing and communication limitations between agents make full state feedback expensive or impractical, and such strategies can become fragile when state information from other agents is inaccurate. To this end, we propose a regularized dynamic programming approach for finding sparse feedback policies that selectively depend on the states of a subset of agents in dynamic games. The proposed approach solves convex adaptive group Lasso problems to compute sparse policies approximating Nash equilibrium solutions. We prove the regularized solutions' asymptotic convergence to a neighborhood of Nash equilibrium policies in linear-quadratic (LQ) games. Further, we extend the proposed approach to general non-LQ games via an iterative algorithm. Simulation results in multi-robot interaction scenarios show that the proposed approach effectively computes feedback policies with varying sparsity levels. When agents have noisy observations of other agents' states, simulation results indicate that the proposed regularized policies consistently achieve lower costs than standard Nash equilibrium policies by up to 77% for all interacting agents whose costs are coupled with other agents' states.
Rényi divergence-based uniformity guarantees for $k$-universal hash functions
Venue: arXiv cs.IT 2025
Year: 2025

Universal hash functions map the output of a source to random strings over a finite alphabet, aiming to approximate the uniform distribution on the set of strings. A classic result on these functions, called the Leftover Hash Lemma, gives an estimate of the distance from uniformity based on the assumptions about the min-entropy of the source. We prove several results concerning extensions of this lemma to a class of functions that are $k^\ast$-universal, i.e., $l$-universal for all $2\le l\le k$. As a common distinctive feature, our results provide estimates of closeness to uniformity in terms of the $α$-R{é}nyi divergence for all $α\in (1,\infty]$. For $1\le α\le k$ we show that it is possible to convert all the randomness of the source measured in $α$-\Renyi entropy into approximately uniform bits with nearly the same amount of randomness. For large enough $k$ we show that it is possible to distill random bits that are nearly uniform, as measured by min-entropy. We also extend these results to hashing with side information.
Implementation and Assessment of Machine Learning Models for Forecasting Suspected Opioid Overdoses in Emergency Medical Services Data
Venue: arXiv cs.LG 2025
Year: 2025

We present efforts in the fields of machine learning and time series forecasting to accurately predict counts of future suspected opioid overdoses recorded by Emergency Medical Services (EMS) in the state of Kentucky. Forecasts help government agencies properly prepare and distribute resources related to opioid overdoses. Our approach uses county and district level aggregations of suspected opioid overdose encounters and forecasts future counts for different time intervals. Models with different levels of complexity were evaluated to minimize forecasting error. A variety of additional covariates relevant to opioid overdoses and public health were tested to determine their impact on model performance. Our evaluation shows that useful predictions can be generated with limited error for different types of regions, and high performance can be achieved using commonly available covariates and relatively simple forecasting models.
Adsorb-Agent: Autonomous Identification of Stable Adsorption Configurations via Large Language Model Agent
Venue: arXiv cs.CL 2025
Year: 2025

Adsorption energy is a key reactivity descriptor in catalysis. Determining adsorption energy requires evaluating numerous adsorbate-catalyst configurations, making it computationally intensive. Current methods rely on exhaustive sampling, which does not guarantee the identification of the global minimum energy. To address this, we introduce Adsorb-Agent, a Large Language Model (LLM) agent designed to efficiently identify stable adsorption configurations corresponding to the global minimum energy. Adsorb-Agent leverages its built-in knowledge and reasoning to strategically explore configurations, significantly reducing the number of initial setups required while improving energy prediction accuracy. In this study, we also evaluated the performance of different LLMs, including GPT-4o, GPT-4o-mini, Claude-3.7-Sonnet, and DeepSeek-Chat, as the reasoning engine for Adsorb-Agent, with GPT-4o showing the strongest overall performance. Tested on twenty diverse systems, Adsorb-Agent identifies comparable adsorption energies for 84% of cases and achieves lower energies for 35%, particularly excelling in complex systems. It identifies lower energies in 47% of intermetallic systems and 67% of systems with large adsorbates. These findings demonstrate Adsorb-Agent's potential to accelerate catalyst discovery by reducing computational costs and enhancing prediction reliability compared to exhaustive search methods.
Satori: Towards Proactive AR Assistant with Belief-Desire-Intention User Modeling
Venue: arXiv cs.HC 2025
Year: 2025

Augmented Reality (AR) assistance is increasingly used for supporting users with physical tasks like assembly and cooking. However, most systems rely on reactive responses triggered by user input, overlooking rich contextual and user-specific information. To address this, we present Satori, a novel AR system that proactively guides users by modeling both -- their mental states and environmental contexts. Satori integrates the Belief-Desire-Intention (BDI) framework with the state-of-the-art multi-modal large language model (LLM) to deliver contextually appropriate guidance. Our system is designed based on two formative studies involving twelve experts. We evaluated the system with a sixteen within-subject study and found that Satori matches the performance of designer-created Wizard-of-Oz (WoZ) systems, without manual configurations or heuristics, thereby improving generalizability, reusability, and expanding the potential of AR assistance.
Toolpath Generation for High Density Spatial Fiber Printing Guided by Principal Stresses
Venue: arXiv cs.GR 2025
Year: 2025

While multi-axis 3D printing can align continuous fibers along principal stresses in continuous fiber-reinforced thermoplastic (CFRTP) composites to enhance mechanical strength, existing methods have difficulty generating toolpaths with high fiber coverage. This is mainly due to the orientation consistency constraints imposed by vector-field-based methods and the turbulent stress fields around stress concentration regions. This paper addresses these challenges by introducing a 2-RoSy representation for computing the direction field, which is then converted into a periodic scalar field to generate partial iso-curves for fiber toolpaths with nearly equal hatching distance. To improve fiber coverage in stress-concentrated regions, such as around holes, we extend the quaternion-based method for curved slicing by incorporating winding compatibility considerations. Our proposed method can achieve toolpaths coverage between 87.5% and 90.6% by continuous fibers with 1.1mm width. Models fabricated using our toolpaths show up to 84.6% improvement in failure load and 54.4% increase in stiffness when compared to the results obtained from multi-axis 3D printing with sparser fibers.
Polycubes via Dual Loops
Venue: arXiv cs.CG 2025
Year: 2025

In this paper we study polycubes: orthogonal polyhedra with axis-aligned quadrilateral faces. We present a complete characterization of polycubes of any genus based on their dual structure: a collection of oriented loops which run in each of the axis directions and capture polycubes via their intersection patterns. A polycube loop structure uniquely corresponds to a polycube. We also describe all combinatorially different ways to add a loop to a loop structure while maintaining its validity. Similarly, we show how to identify loops that can be removed from a polycube loop structure without invalidating it. Our characterization gives rise to an iterative algorithm to construct provably valid polycube maps for a given input surface.
Self-Steering Optimization: Autonomous Preference Optimization for Large Language Models
Venue: arXiv cs.CL 2025
Year: 2025

The key to effective alignment lies in high-quality preference data. Recent research has focused on automated alignment, which involves developing alignment systems with minimal human intervention. However, prior research has predominantly focused on developing data generation methods, while insufficient attention has been paid to quality control mechanisms, which often produce inaccurate and unhelpful data, leading to unpredictable benefits during iterative optimization. In this paper, we present Self-Steering Optimization ($SSO$), an algorithm that autonomously generates high-quality preference data, eliminating manual annotation requirements. $SSO$ employs a specialized optimization objective to build a data generator from the policy model itself, which is used to produce accurate and on-policy data. We demonstrate $SSO$'s effectiveness through comprehensive experiments on two series of models: Llama 3 and Qwen 2. Our evaluation across diverse benchmarks shows that $SSO$ consistently outperforms baselines in human preference alignment and reward optimization. Further analysis validates $SSO$ as a scalable framework for preference optimization, benefiting the advancement in automated alignment techniques.
Towards Automated Penetration Testing: Introducing LLM Benchmark, Analysis, and Improvements
Venue: arXiv cs.CR 2025
Year: 2025

Hacking poses a significant threat to cybersecurity, inflicting billions of dollars in damages annually. To mitigate these risks, ethical hacking, or penetration testing, is employed to identify vulnerabilities in systems and networks. Recent advancements in large language models (LLMs) have shown potential across various domains, including cybersecurity. However, there is currently no comprehensive, open, automated, end-to-end penetration testing benchmark to drive progress and evaluate the capabilities of these models in security contexts. This paper introduces a novel open benchmark for LLM-based automated penetration testing, addressing this critical gap. We first evaluate the performance of LLMs, including GPT-4o and LLama 3.1-405B, using the state-of-the-art PentestGPT tool. Our findings reveal that while LLama 3.1 demonstrates an edge over GPT-4o, both models currently fall short of performing end-to-end penetration testing even with some minimal human assistance. Next, we advance the state-of-the-art and present ablation studies that provide insights into improving the PentestGPT tool. Our research illuminates the challenges LLMs face in each aspect of Pentesting, e.g. enumeration, exploitation, and privilege escalation. This work contributes to the growing body of knowledge on AI-assisted cybersecurity and lays the foundation for future research in automated penetration testing using large language models.
ICPL: Few-shot In-context Preference Learning via LLMs
Venue: arXiv cs.AI 2025
Year: 2025

Preference-based reinforcement learning is an effective way to handle tasks where rewards are hard to specify but can be exceedingly inefficient as preference learning is often tabula rasa. We demonstrate that Large Language Models (LLMs) have native preference-learning capabilities that allow them to achieve sample-efficient preference learning, addressing this challenge. We propose In-Context Preference Learning (ICPL), which uses in-context learning capabilities of LLMs to reduce human query inefficiency. ICPL uses the task description and basic environment code to create sets of reward functions which are iteratively refined by placing human feedback over videos of the resultant policies into the context of an LLM and then requesting better rewards. We first demonstrate ICPL's effectiveness through a synthetic preference study, providing quantitative evidence that it significantly outperforms baseline preference-based methods with much higher performance and orders of magnitude greater efficiency. We observe that these improvements are not solely coming from LLM grounding in the task but that the quality of the rewards improves over time, indicating preference learning capabilities. Additionally, we perform a series of real human preference-learning trials and observe that ICPL extends beyond synthetic settings and can work effectively with humans-in-the-loop.
EmoGene: Audio-Driven Emotional 3D Talking-Head Generation
Venue: arXiv cs.CV 2025
Year: 2025

Audio-driven talking-head generation is a crucial and useful technology for virtual human interaction and film-making. While recent advances have focused on improving image fidelity and lip synchronization, generating accurate emotional expressions remains underexplored. In this paper, we introduce EmoGene, a novel framework for synthesizing high-fidelity, audio-driven video portraits with accurate emotional expressions. Our approach employs a variational autoencoder (VAE)-based audio-to-motion module to generate facial landmarks, which are concatenated with emotional embedding in a motion-to-emotion module to produce emotional landmarks. These landmarks drive a Neural Radiance Fields (NeRF)-based emotion-to-video module to render realistic emotional talking-head videos. Additionally, we propose a pose sampling method to generate natural idle-state (non-speaking) videos for silent audio inputs. Extensive experiments demonstrate that EmoGene outperforms previous methods in generating high-fidelity emotional talking-head videos.
Whose Journey Matters? Investigating Identity Biases in Large Language Models (LLMs) for Travel Planning Assistance
Venue: arXiv cs.AI 2025
Year: 2025

As large language models (LLMs) become increasingly integral to the hospitality and tourism industry, concerns about their fairness in serving diverse identity groups persist. Grounded in social identity theory and sociotechnical systems theory, this study examines ethnic and gender biases in travel recommendations generated by LLMs. Using fairness probing, we analyze outputs from three leading open-source LLMs. The results show that test accuracy for both ethnicity and gender classifiers exceed random chance. Analysis of the most influential features reveals the presence of stereotype bias in LLM-generated recommendations. We also found hallucinations among these features, occurring more frequently in recommendations for minority groups. These findings indicate that LLMs exhibit ethnic and gender bias when functioning as travel planning assistants. This study underscores the need for bias mitigation strategies to improve the inclusivity and reliability of generative AI-driven travel planning assistance.
Captions Speak Louder than Images: Generalizing Foundation Models for E-commerce from High-quality Multimodal Instruction Data
Venue: arXiv cs.CL 2025
Year: 2025

Leveraging multimodal data to drive breakthroughs in e-commerce applications through Multimodal Foundation Models (MFMs) is gaining increasing attention from the research community. However, there are significant challenges that hinder the optimal use of multimodal e-commerce data by foundation models: (1) the scarcity of large-scale, high-quality multimodal benchmark datasets; and (2) the lack of effective multimodal information integration methods. To address these challenges, in this paper, we introduce MMECInstruct, the first-ever, large-scale, and high-quality multimodal instruction dataset for e-commerce. We also develop CASLIE, a simple, lightweight, yet effective framework for integrating multimodal information for e-commerce. Leveraging MMECInstruct, we fine-tune a series of e-commerce MFMs within CASLIE, denoted as CASLIE models. Our comprehensive evaluation demonstrates that CASLIE models substantially outperform 5 categories of advanced baseline models in the in-domain evaluation. Moreover, CASLIE models show strong generalizability to out-of-domain settings. MMECInstruct and CASLIE models are publicly accessible through https://ninglab.github.io/CASLIE/.
All Entities are Not Created Equal: Examining the Long Tail for Ultra-Fine Entity Typing
Venue: arXiv cs.CL 2025
Year: 2025

Due to their capacity to acquire world knowledge from large corpora, pre-trained language models (PLMs) are extensively used in ultra-fine entity typing tasks where the space of labels is extremely large. In this work, we explore the limitations of the knowledge acquired by PLMs by proposing a novel heuristic to approximate the pre-training distribution of entities when the pre-training data is unknown. Then, we systematically demonstrate that entity-typing approaches that rely solely on the parametric knowledge of PLMs struggle significantly with entities at the long tail of the pre-training distribution, and that knowledge-infused approaches can account for some of these shortcomings. Our findings suggest that we need to go beyond PLMs to produce solutions that perform well for infrequent entities.
AI-generated Essays: Characteristics and Implications on Automated Scoring and Academic Integrity
Venue: arXiv cs.CL 2025
Year: 2025

The rapid advancement of large language models (LLMs) has enabled the generation of coherent essays, making AI-assisted writing increasingly common in educational and professional settings. Using large-scale empirical data, we examine and benchmark the characteristics and quality of essays generated by popular LLMs and discuss their implications for two key components of writing assessments: automated scoring and academic integrity. Our findings highlight limitations in existing automated scoring systems, such as e-rater, when applied to essays generated or heavily influenced by AI, and identify areas for improvement, including the development of new features to capture deeper thinking and recalibrating feature weights. Despite growing concerns that the increasing variety of LLMs may undermine the feasibility of detecting AI-generated essays, our results show that detectors trained on essays generated from one model can often identify texts from others with high accuracy, suggesting that effective detection could remain manageable in practice.
Securing Federated Learning against Backdoor Threats with Foundation Model Integration
Venue: arXiv cs.LG 2025
Year: 2025

Federated Learning (FL) enables decentralized model training while preserving privacy. Recently, the integration of Foundation Models (FMs) into FL has enhanced performance but introduced a novel backdoor attack mechanism. Attackers can exploit FM vulnerabilities to embed backdoors into synthetic data generated by FMs. During global model fusion, these backdoors are transferred to the global model through compromised synthetic data, subsequently infecting all client models. Existing FL backdoor defenses are ineffective against this novel attack due to its fundamentally different mechanism compared to classic ones. In this work, we propose a novel data-free defense strategy that addresses both classic and novel backdoor attacks in FL. The shared attack pattern lies in the abnormal activations within the hidden feature space during model aggregation. Hence, we propose to constrain internal activations to remain within reasonable ranges, effectively mitigating attacks while preserving model functionality. The activation constraints are optimized using synthetic data alongside FL training. Extensive experiments demonstrate its effectiveness against both novel and classic backdoor attacks, outperforming existing defenses.