pwc-archive/papers-with-abstracts huggingface dataset:
APOLLO: Automated LLM and Lean Collaboration for Advanced Formal Reasoning
Authors: Azim Ospanov, Farzan Farnia, Roozbeh Yousefzadeh
Date: 2025-05-09 00:00:00
Tasks: Automated Theorem Proving

Formal reasoning and automated theorem proving constitute a challenging subfield of machine learning, in which machines are tasked with proving mathematical theorems using formal languages like Lean. A formal verification system can check whether a formal proof is correct or not almost instantaneously, but generating a completely correct formal proof with large language models (LLMs) remains a formidable task. The usual approach in the literature is to prompt the LLM many times (up to several thousands) until one of the generated proofs passes the verification system. In this work, we present APOLLO (Automated PrOof repair via LLM and Lean cOllaboration), a modular, model-agnostic pipeline that combines the strengths of the Lean compiler with an LLM's reasoning abilities to achieve better proof-generation results at a low sampling budget. Apollo directs a fully automated process in which the LLM generates proofs for theorems, a set of agents analyze the proofs, fix the syntax errors, identify the mistakes in the proofs using Lean, isolate failing sub-lemmas, utilize automated solvers, and invoke an LLM on each remaining goal with a low top-K budget. The repaired sub-proofs are recombined and reverified, iterating up to a user-controlled maximum number of attempts. On the miniF2F benchmark, we establish a new state-of-the-art accuracy of 75.0% among 7B-parameter models while keeping the sampling budget below one thousand. Moreover, Apollo raises the state-of-the-art accuracy for Goedel-Prover-SFT to 65.6% while cutting sample complexity from 25,600 to a few hundred. General-purpose models (o3-mini, o4-mini) jump from 3-7% to over 40% accuracy. Our results demonstrate that targeted, compiler-guided repair of LLM outputs yields dramatic gains in both efficiency and correctness, suggesting a general paradigm for scalable automated theorem proving.
Evolutionary thoughts: integration of large language models and evolutionary algorithms
Authors: Antonio Jimeno Yepes, Pieter Barnard
Date: 2025-05-09 00:00:00
Tasks: Evolutionary Algorithms, Hallucination, valid

Large Language Models (LLMs) have unveiled remarkable capabilities in understanding and generating both natural language and code, but LLM reasoning is prone to hallucination and struggle with complex, novel scenarios, often getting stuck on partial or incorrect solutions. However, the inherent ability of Evolutionary Algorithms (EAs) to explore extensive and complex search spaces makes them particularly effective in scenarios where traditional optimization methodologies may falter. However, EAs explore a vast search space when applied to complex problems. To address the computational bottleneck of evaluating large populations, particularly crucial for complex evolutionary tasks, we introduce a highly efficient evaluation framework. This implementation maintains compatibility with existing primitive definitions, ensuring the generation of valid individuals. Using LLMs, we propose an enhanced evolutionary search strategy that enables a more focused exploration of expansive solution spaces. LLMs facilitate the generation of superior candidate solutions, as evidenced by empirical results demonstrating their efficacy in producing improved outcomes.
Towards Embodiment Scaling Laws in Robot Locomotion
Authors: Bo Ai, Liu Dai, Nico Bohlinger, Dichen Li, Tongzhou Mu, Zhanxin Wu, K. Fay, Henrik I. Christensen, Jan Peters, Hao Su
Date: 2025-05-09 00:00:00

Developing generalist agents that can operate across diverse tasks, environments, and physical embodiments is a grand challenge in robotics and artificial intelligence. In this work, we focus on the axis of embodiment and investigate embodiment scaling laws$\unicode{x2013}$the hypothesis that increasing the number of training embodiments improves generalization to unseen ones. Using robot locomotion as a test bed, we procedurally generate a dataset of $\sim$1,000 varied embodiments, spanning humanoids, quadrupeds, and hexapods, and train generalist policies capable of handling diverse observation and action spaces on random subsets. We find that increasing the number of training embodiments improves generalization to unseen ones, and scaling embodiments is more effective in enabling embodiment-level generalization than scaling data on small, fixed sets of embodiments. Notably, our best policy, trained on the full dataset, zero-shot transfers to novel embodiments in the real world, such as Unitree Go2 and H1. These results represent a step toward general embodied intelligence, with potential relevance to adaptive control for configurable robots, co-design of morphology and control, and beyond.
Accurate and Efficient Multivariate Time Series Forecasting via Offline Clustering
Authors: Yiming Niu, Jinliang Deng, Lulu Zhang, Zimu Zhou, Yongxin Tong
Date: 2025-05-09 00:00:00
Tasks: Clustering, Multivariate Time Series Forecasting, Time Series, Time Series Forecasting

Accurate and efficient multivariate time series (MTS) forecasting is essential for applications such as traffic management and weather prediction, which depend on capturing long-range temporal dependencies and interactions between entities. Existing methods, particularly those based on Transformer architectures, compute pairwise dependencies across all time steps, leading to a computational complexity that scales quadratically with the length of the input. To overcome these challenges, we introduce the Forecaster with Offline Clustering Using Segments (FOCUS), a novel approach to MTS forecasting that simplifies long-range dependency modeling through the use of prototypes extracted via offline clustering. These prototypes encapsulate high-level events in the real-world system underlying the data, summarizing the key characteristics of similar time segments. In the online phase, FOCUS dynamically adapts these patterns to the current input and captures dependencies between the input segment and high-level events, enabling both accurate and efficient forecasting. By identifying prototypes during the offline clustering phase, FOCUS reduces the computational complexity of modeling long-range dependencies in the online phase to linear scaling. Extensive experiments across diverse benchmarks demonstrate that FOCUS achieves state-of-the-art accuracy while significantly reducing computational costs.
Assessing Robustness to Spurious Correlations in Post-Training Language Models
Authors: Julia Shuieh, Prasann Singhal, Apaar Shanker, John Heyer, George Pu, Samuel Denton
Date: 2025-05-09 00:00:00
Tasks: Instruction Following, Mathematical Reasoning, Question Answering

Supervised and preference-based fine-tuning techniques have become popular for aligning large language models (LLMs) with user intent and correctness criteria. However, real-world training data often exhibits spurious correlations -- arising from biases, dataset artifacts, or other "shortcut" features -- that can compromise a model's performance or generalization. In this paper, we systematically evaluate three post-training algorithms -- Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), and KTO (Kahneman-Tversky Optimization) -- across a diverse set of synthetic tasks and spuriousness conditions. Our tasks span mathematical reasoning, constrained instruction-following, and document-grounded question answering. We vary the degree of spurious correlation (10% vs. 90%) and investigate two forms of artifacts: "Feature Ambiguity" and "Distributional Narrowness." Our results show that the models often but not always degrade under higher spuriousness. The preference-based methods (DPO/KTO) can demonstrate relative robustness in mathematical reasoning tasks. By contrast, SFT maintains stronger performance in complex, context-intensive tasks. These findings highlight that no single post-training strategy universally outperforms in all scenarios; the best choice depends on the type of target task and the nature of spurious correlations.
Pretraining a Shared Q-Network for Data-Efficient Offline Reinforcement Learning
Authors: Jongchan Park, MinGyu Park, Donghwan Lee
Date: 2025-05-09 00:00:00
Tasks: D4RL, Offline RL, Reinforcement Learning (RL)

Offline reinforcement learning (RL) aims to learn a policy from a static dataset without further interactions with the environment. Collecting sufficiently large datasets for offline RL is exhausting since this data collection requires colossus interactions with environments and becomes tricky when the interaction with the environment is restricted. Hence, how an agent learns the best policy with a minimal static dataset is a crucial issue in offline RL, similar to the sample efficiency problem in online RL. In this paper, we propose a simple yet effective plug-and-play pretraining method to initialize a feature of a $Q$-network to enhance data efficiency in offline RL. Specifically, we introduce a shared $Q$-network structure that outputs predictions of the next state and $Q$-value. We pretrain the shared $Q$-network through a supervised regression task that predicts a next state and trains the shared $Q$-network using diverse offline RL methods. Through extensive experiments, we empirically demonstrate that our method enhances the performance of existing popular offline RL methods on the D4RL, Robomimic and V-D4RL benchmarks. Furthermore, we show that our method significantly boosts data-efficient offline RL across various data qualities and data distributions trough D4RL and ExoRL benchmarks. Notably, our method adapted with only 10% of the dataset outperforms standard algorithms even with full datasets.
Prompted Meta-Learning for Few-shot Knowledge Graph Completion
Authors: Han Wu, Jie Yin
Date: 2025-05-08 00:00:00
Tasks: Knowledge Graph Completion, Meta-Learning, Transfer Learning

Few-shot knowledge graph completion (KGC) has obtained significant attention due to its practical applications in real-world scenarios, where new knowledge often emerges with limited available data. While most existing methods for few-shot KGC have predominantly focused on leveraging relational information, rich semantics inherent in KGs have been largely overlooked. To address this gap, we propose a novel prompted meta-learning (PromptMeta) framework that seamlessly integrates meta-semantics with relational information for few-shot KGC. PrompMeta has two key innovations: (1) a meta-semantic prompt pool that captures and consolidates high-level meta-semantics, enabling effective knowledge transfer and adaptation to rare and newly emerging relations. (2) a learnable fusion prompt that dynamically combines meta-semantic information with task-specific relational information tailored to different few-shot tasks. Both components are optimized together with model parameters within a meta-learning framework. Extensive experiments on two benchmark datasets demonstrate the effectiveness of our approach.
Interactive Diabetes Risk Prediction Using Explainable Machine Learning: A Dash-Based Approach with SHAP, LIME, and Comorbidity Insights
Authors: Udaya Allani
Date: 2025-05-08 00:00:00

This study presents a web-based interactive health risk prediction tool designed to assess diabetes risk using machine learning models. Built on the 2015 CDC BRFSS dataset, the study evaluates models including Logistic Regression, Random Forest, XGBoost, LightGBM, KNN, and Neural Networks under original, SMOTE, and undersampling strategies. LightGBM with undersampling achieved the best recall, making it ideal for risk detection. The tool integrates SHAP and LIME to explain predictions and highlights comorbidity correlations using Pearson analysis. A Dash-based UI enables user-friendly interaction with model predictions, personalized suggestions, and feature insights, supporting data-driven health awareness.
Lost in OCR Translation? Vision-Based Approaches to Robust Document Retrieval
Authors: Alexander Most, Joseph Winjum, Ayan Biswas, Shawn Jones, Nishath Rajiv Ranasinghe, Dan O'Malley, Manish Bhattarai
Date: 2025-05-08 00:00:00
Tasks: Computational Efficiency, Optical Character Recognition, Optical Character Recognition (OCR), Question Answering, RAG, Retrieval, Retrieval-augmented Generation

Retrieval-Augmented Generation (RAG) has become a popular technique for enhancing the reliability and utility of Large Language Models (LLMs) by grounding responses in external documents. Traditional RAG systems rely on Optical Character Recognition (OCR) to first process scanned documents into text. However, even state-of-the-art OCRs can introduce errors, especially in degraded or complex documents. Recent vision-language approaches, such as ColPali, propose direct visual embedding of documents, eliminating the need for OCR. This study presents a systematic comparison between a vision-based RAG system (ColPali) and more traditional OCR-based pipelines utilizing Llama 3.2 (90B) and Nougat OCR across varying document qualities. Beyond conventional retrieval accuracy metrics, we introduce a semantic answer evaluation benchmark to assess end-to-end question-answering performance. Our findings indicate that while vision-based RAG performs well on documents it has been fine-tuned on, OCR-based RAG is better able to generalize to unseen documents of varying quality. We highlight the key trade-offs between computational efficiency and semantic accuracy, offering practical guidance for RAG practitioners in selecting between OCR-dependent and vision-based document retrieval systems in production environments.
Adaptive Stress Testing Black-Box LLM Planners
Authors: Neeloy Chakraborty, John Pohovey, Melkior Ornik, Katherine Driggs-Campbell
Date: 2025-05-08 00:00:00

Large language models (LLMs) have recently demonstrated success in generalizing across decision-making tasks including planning, control and prediction, but their tendency to hallucinate unsafe and undesired outputs poses risks. We argue that detecting such failures is necessary, especially in safety-critical scenarios. Existing black-box methods often detect hallucinations by identifying inconsistencies across multiple samples. Many of these approaches typically introduce prompt perturbations like randomizing detail order or generating adversarial inputs, with the intuition that a confident model should produce stable outputs. We first perform a manual case study showing that other forms of perturbations (e.g., adding noise, removing sensor details) cause LLMs to hallucinate in a driving environment. We then propose a novel method for efficiently searching the space of prompt perturbations using Adaptive Stress Testing (AST) with Monte-Carlo Tree Search (MCTS). Our AST formulation enables discovery of scenarios and prompts that cause language models to act with high uncertainty. By generating MCTS prompt perturbation trees across diverse scenarios, we show that offline analyses can be used at runtime to automatically generate prompts that influence model uncertainty, and to inform real-time trust assessments of an LLM.
Closing the Loop: Motion Prediction Models beyond Open-Loop Benchmarks
Authors: Mohamed-Khalil Bouzidi, Christian Schlauch, Nicole Scheuerer, Yue Yao, Nadja Klein, Daniel Göhring, Jörg Reichardt
Date: 2025-05-08 00:00:00
Tasks: Autonomous Driving, motion prediction, Prediction

Fueled by motion prediction competitions and benchmarks, recent years have seen the emergence of increasingly large learning based prediction models, many with millions of parameters, focused on improving open-loop prediction accuracy by mere centimeters. However, these benchmarks fail to assess whether such improvements translate to better performance when integrated into an autonomous driving stack. In this work, we systematically evaluate the interplay between state-of-the-art motion predictors and motion planners. Our results show that higher open-loop accuracy does not always correlate with better closed-loop driving behavior and that other factors, such as temporal consistency of predictions and planner compatibility, also play a critical role. Furthermore, we investigate downsized variants of these models, and, surprisingly, find that in some cases models with up to 86% fewer parameters yield comparable or even superior closed-loop driving performance. Our code is available at https://github.com/continental/pred2plan.
Privacy-Preserved Automated Scoring using Federated Learning for Educational Research
Authors: Ehsan Latif, Xiaoming Zhai
Date: 2025-03-12 00:00:00
Tasks: Federated Learning, parameter-efficient fine-tuning

Data privacy remains a critical concern in educational research, requiring strict adherence to ethical standards and regulatory protocols. While traditional approaches rely on anonymization and centralized data collection, they often expose raw student data to security vulnerabilities and impose substantial logistical overhead. In this study, we propose a federated learning (FL) framework for automated scoring of educational assessments that eliminates the need to share sensitive data across institutions. Our approach leverages parameter-efficient fine-tuning of large language models (LLMs) with Low-Rank Adaptation (LoRA), enabling each client (school) to train locally while sharing only optimized model updates. To address data heterogeneity, we implement an adaptive weighted aggregation strategy that considers both client performance and data volume. We benchmark our model against two state-of-the-art FL methods and a centralized learning baseline using NGSS-aligned multi-label science assessment data from nine middle schools. Results show that our model achieves the highest accuracy (94.5%) among FL approaches, and performs within 0.5-1.0 percentage points of the centralized model on these metrics. Additionally, it achieves comparable rubric-level scoring accuracy, with only a 1.3% difference in rubric match and a lower score deviation (MAE), highlighting its effectiveness in preserving both prediction quality and interpretability.
Looking Beyond Language Priors: Enhancing Visual Comprehension and Attention in Multimodal Models
Authors: Aarti Ghatkesar, Uddeshya Upadhyay, Ganesh Venkatesh
Date: 2025-05-08 00:00:00
Tasks: Text Generation

Achieving deep alignment between vision and language remains a central challenge for Multimodal Large Language Models (MLLMs). These models often fail to fully leverage visual input, defaulting to strong language priors. Our approach first provides insights into how MLLMs internally build visual understanding of image regions and then introduces techniques to amplify this capability. Specifically, we explore techniques designed both to deepen the model's understanding of visual content and to ensure that these visual insights actively guide language generation. We demonstrate the superior multimodal understanding of our resultant model through a detailed upstream analysis quantifying its ability to predict visually-dependent tokens as well as 10 pt boost on visually challenging tasks.
SPIN-ODE: Stiff Physics-Informed Neural ODE for Chemical Reaction Rate Estimation
Authors: Wenqing Peng, Zhi-Song Liu, Michael Boy
Date: 2025-05-08 00:00:00

Estimating rate constants from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability and poor convergence that hinder effective rate constant estimation using learning-based approaches. To address this, we propose a Stiff Physics-Informed Neural ODE framework (SPIN-ODE) for chemical reaction modelling. Our method introduces a three-stage optimisation process: first, a latent neural ODE learns the continuous and differentiable trajectory between chemical concentrations and their time derivatives; second, an explicit Chemical Reaction Neural Network (CRNN) extracts the underlying rate coefficients based on the learned dynamics; and third, fine-tune CRNN using a neural ODE solver to further improve rate coefficient estimation. Extensive experiments on both synthetic and newly proposed real-world datasets validate the effectiveness and robustness of our approach. As the first work on stiff Neural ODEs for chemical rate coefficient discovery, our study opens promising directions for integrating neural networks with detailed chemistry.
CityNavAgent: Aerial Vision-and-Language Navigation with Hierarchical Semantic Planning and Global Memory
Authors: Weichen Zhang, Chen Gao, Shiquan Yu, Ruiying Peng, Baining Zhao, Qian Zhang, Jinqiang Cui, Xinlei Chen, Yong Li
Date: 2025-05-08 00:00:00
Tasks: Large Language Model, Navigate, Spatial Reasoning, Vision and Language Navigation

Aerial vision-and-language navigation (VLN), requiring drones to interpret natural language instructions and navigate complex urban environments, emerges as a critical embodied AI challenge that bridges human-robot interaction, 3D spatial reasoning, and real-world deployment. Although existing ground VLN agents achieved notable results in indoor and outdoor settings, they struggle in aerial VLN due to the absence of predefined navigation graphs and the exponentially expanding action space in long-horizon exploration. In this work, we propose \textbf{CityNavAgent}, a large language model (LLM)-empowered agent that significantly reduces the navigation complexity for urban aerial VLN. Specifically, we design a hierarchical semantic planning module (HSPM) that decomposes the long-horizon task into sub-goals with different semantic levels. The agent reaches the target progressively by achieving sub-goals with different capacities of the LLM. Additionally, a global memory module storing historical trajectories into a topological graph is developed to simplify navigation for visited targets. Extensive benchmark experiments show that our method achieves state-of-the-art performance with significant improvement. Further experiments demonstrate the effectiveness of different modules of CityNavAgent for aerial VLN in continuous city environments. The code is available at \href{https://github.com/VinceOuti/CityNavAgent}{link}.
Leveraging Large Language Models for enzymatic reaction prediction and characterization
Authors: Lorenzo Di Fruscia, Jana Marie Weber
Date: 2025-05-08 00:00:00
Tasks: Drug Discovery, In-Context Learning, parameter-efficient fine-tuning, Retrosynthesis

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable success in various scientific domains, e.g., through their ability to generalize knowledge, reason over complex structures, and leverage in-context learning strategies. In this study, we systematically evaluate the capability of LLMs, particularly the Llama-3.1 family (8B and 70B), across three core biochemical tasks: Enzyme Commission number prediction, forward synthesis, and retrosynthesis. We compare single-task and multitask learning strategies, employing parameter-efficient fine-tuning via LoRA adapters. Additionally, we assess performance across different data regimes to explore their adaptability in low-data settings. Our results demonstrate that fine-tuned LLMs capture biochemical knowledge, with multitask learning enhancing forward- and retrosynthesis predictions by leveraging shared enzymatic information. We also identify key limitations, for example challenges in hierarchical EC classification schemes, highlighting areas for further improvement in LLM-driven biochemical modeling.