pwc-archive/papers-with-abstracts huggingface dataset:
AutoRAN: Weak-to-Strong Jailbreaking of Large Reasoning Models
Authors: Jiacheng Liang, Tanqiu Jiang, Yuhui Wang, Rongyi Zhu, Fenglong Ma, Ting Wang
Date: 2025-05-16 00:00:00

This paper presents AutoRAN, the first automated, weak-to-strong jailbreak attack framework targeting large reasoning models (LRMs). At its core, AutoRAN leverages a weak, less-aligned reasoning model to simulate the target model's high-level reasoning structures, generates narrative prompts, and iteratively refines candidate prompts by incorporating the target model's intermediate reasoning steps. We evaluate AutoRAN against state-of-the-art LRMs including GPT-o3/o4-mini and Gemini-2.5-Flash across multiple benchmark datasets (AdvBench, HarmBench, and StrongReject). Results demonstrate that AutoRAN achieves remarkable success rates (approaching 100%) within one or a few turns across different LRMs, even when judged by a robustly aligned external model. This work reveals that leveraging weak reasoning models can effectively exploit the critical vulnerabilities of much more capable reasoning models, highlighting the need for improved safety measures specifically designed for reasoning-based models. The code for replicating AutoRAN and running records are available at: (https://github.com/JACKPURCELL/AutoRAN-public). (warning: this paper contains potentially harmful content generated by LRMs.)
Foundation model for mass spectrometry proteomics
Authors: Justin Sanders, Melih Yilmaz, Jacob H. Russell, Wout Bittremieux, William E. Fondrie, Nicholas M. Riley, Sewoong Oh, William Stafford Noble
Date: 2025-05-16 00:00:00
Tasks: model, Prediction

Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated computational methods are required for the processing and interpretation of acquired mass spectra. Machine learning has shown great promise to improve the analysis of mass spectrometry data, with numerous purpose-built methods for improving specific steps in the data acquisition and analysis pipeline reaching widespread adoption. Here, we propose unifying various spectrum prediction tasks under a single foundation model for mass spectra. To this end, we pre-train a spectrum encoder using de novo sequencing as a pre-training task. We then show that using these pre-trained spectrum representations improves our performance on the four downstream tasks of spectrum quality prediction, chimericity prediction, phosphorylation prediction, and glycosylation status prediction. Finally, we perform multi-task fine-tuning and find that this approach improves the performance on each task individually. Overall, our work demonstrates that a foundation model for tandem mass spectrometry proteomics trained on de novo sequencing learns generalizable representations of spectra, improves performance on downstream tasks where training data is limited, and can ultimately enhance data acquisition and analysis in proteomics experiments.
ImputeINR: Time Series Imputation via Implicit Neural Representations for Disease Diagnosis with Missing Data
Authors: Mengxuan Li, Ke Liu, Jialong Guo, Jiajun Bu, Hongwei Wang, Haishuai Wang
Date: 2025-05-16 00:00:00
Tasks: Imputation, Missing Values, Time Series

Healthcare data frequently contain a substantial proportion of missing values, necessitating effective time series imputation to support downstream disease diagnosis tasks. However, existing imputation methods focus on discrete data points and are unable to effectively model sparse data, resulting in particularly poor performance for imputing substantial missing values. In this paper, we propose a novel approach, ImputeINR, for time series imputation by employing implicit neural representations (INR) to learn continuous functions for time series. ImputeINR leverages the merits of INR in that the continuous functions are not coupled to sampling frequency and have infinite sampling frequency, allowing ImputeINR to generate fine-grained imputations even on extremely sparse observed values. Extensive experiments conducted on eight datasets with five ratios of masked values show the superior imputation performance of ImputeINR, especially for high missing ratios in time series data. Furthermore, we validate that applying ImputeINR to impute missing values in healthcare data enhances the performance of downstream disease diagnosis tasks. Codes are available.
Improving the Data-efficiency of Reinforcement Learning by Warm-starting with LLM
Authors: Thang Duong, Minglai Yang, Chicheng Zhang
Date: 2025-05-16 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model, OpenAI Gym, Reinforcement Learning (RL)

We investigate the usage of Large Language Model (LLM) in collecting high-quality data to warm-start Reinforcement Learning (RL) algorithms for learning in some classical Markov Decision Process (MDP) environments. In this work, we focus on using LLM to generate an off-policy dataset that sufficiently covers state-actions visited by optimal policies, then later using an RL algorithm to explore the environment and improve the policy suggested by the LLM. Our algorithm, LORO, can both converge to an optimal policy and have a high sample efficiency thanks to the LLM's good starting policy. On multiple OpenAI Gym environments, such as CartPole and Pendulum, we empirically demonstrate that LORO outperforms baseline algorithms such as pure LLM-based policies, pure RL, and a naive combination of the two, achieving up to $4 \times$ the cumulative rewards of the pure RL baseline.
Graph and Simplicial Complex Prediction Gaussian Process via the Hodgelet Representations
Authors: Mathieu Alain, So Takao, Xiaowen Dong, Bastian Rieck, Emmanuel Noutahi
Date: 2025-05-16 00:00:00
Tasks: Gaussian Processes

Predicting the labels of graph-structured data is crucial in scientific applications and is often achieved using graph neural networks (GNNs). However, when data is scarce, GNNs suffer from overfitting, leading to poor performance. Recently, Gaussian processes (GPs) with graph-level inputs have been proposed as an alternative. In this work, we extend the Gaussian process framework to simplicial complexes (SCs), enabling the handling of edge-level attributes and attributes supported on higher-order simplices. We further augment the resulting SC representations by considering their Hodge decompositions, allowing us to account for homological information, such as the number of holes, in the SC. We demonstrate that our framework enhances the predictions across various applications, paving the way for GPs to be more widely used for graph and SC-level predictions.
Prior-Guided Diffusion Planning for Offline Reinforcement Learning
Authors: Donghyeon Ki, JunHyeok Oh, Seong-Woong Shim, Byung-Jun Lee
Date: 2025-05-16 00:00:00
Tasks: Decision Making, Denoising, Offline RL, reinforcement-learning, Reinforcement Learning

Diffusion models have recently gained prominence in offline reinforcement learning due to their ability to effectively learn high-performing, generalizable policies from static datasets. Diffusion-based planners facilitate long-horizon decision-making by generating high-quality trajectories through iterative denoising, guided by return-maximizing objectives. However, existing guided sampling strategies such as Classifier Guidance, Classifier-Free Guidance, and Monte Carlo Sample Selection either produce suboptimal multi-modal actions, struggle with distributional drift, or incur prohibitive inference-time costs. To address these challenges, we propose Prior Guidance (PG), a novel guided sampling framework that replaces the standard Gaussian prior of a behavior-cloned diffusion model with a learnable distribution, optimized via a behavior-regularized objective. PG directly generates high-value trajectories without costly reward optimization of the diffusion model itself, and eliminates the need to sample multiple candidates at inference for sample selection. We present an efficient training strategy that applies behavior regularization in latent space, and empirically demonstrate that PG outperforms state-of-the-art diffusion policies and planners across diverse long-horizon offline RL benchmarks.
Multi-Objective Preference Optimization: Improving Human Alignment of Generative Models
Authors: Akhil Agnihotri, Rahul Jain, Deepak Ramachandran, Zheng Wen
Date: 2025-05-16 00:00:00

Post-training of LLMs with RLHF, and subsequently preference optimization algorithms such as DPO, IPO, etc., made a big difference in improving human alignment. However, all such techniques can only work with a single (human) objective. In practice, human users have multiple objectives, such as helpfulness and harmlessness, and there is no natural way to aggregate them into a single objective. In this paper, we address the multi-objective preference-alignment problem, where a policy must optimize several, potentially conflicting, objectives. We introduce the Multi-Objective Preference Optimization (MOPO) algorithm, which frames alignment as a constrained KL-regularized optimization: the primary objective is maximized while secondary objectives are lower-bounded by tunable safety thresholds. Unlike prior work, MOPO operates directly on pairwise preference data, requires no point-wise reward assumption, and avoids heuristic prompt-context engineering. The method recovers policies on the Pareto front whenever the front is attainable; practically, it reduces to simple closed-form iterative updates suitable for large-scale training. On synthetic benchmarks with diverse canonical preference structures, we show that MOPO approximates the Pareto front. When fine-tuning a 1.3B-parameter language model on real-world human-preference datasets, MOPO attains higher rewards and yields policies that Pareto-dominate baselines; ablation studies confirm optimization stability and robustness to hyperparameters.
Automated Identification of Logical Errors in Programs: Advancing Scalable Analysis of Student Misconceptions
Authors: Muntasir Hoq, Ananya Rao, Reisha Jaishankar, Krish Piryani, Nithya Janapati, Jessica Vandenberg, Bradford Mott, Narges Norouzi, James Lester, Bita Akram
Date: 2025-05-16 00:00:00
Tasks: Misconceptions

In Computer Science (CS) education, understanding factors contributing to students' programming difficulties is crucial for effective learning support. By identifying specific issues students face, educators can provide targeted assistance to help them overcome obstacles and improve learning outcomes. While identifying sources of struggle, such as misconceptions, in real-time can be challenging in current educational practices, analyzing logical errors in students' code can offer valuable insights. This paper presents a scalable framework for automatically detecting logical errors in students' programming solutions. Our framework is based on an explainable Abstract Syntax Tree (AST) embedding model, the Subtree-based Attention Neural Network (SANN), that identifies the structural components of programs containing logical errors. We conducted a series of experiments to evaluate its effectiveness, and the results suggest that our framework can accurately capture students' logical errors and, more importantly, provide us with deeper insights into their learning processes, offering a valuable tool for enhancing programming education.
A Dataset for Spatiotemporal-Sensitive POI Question Answering
Authors: Xiao Han, Dayan Pan, Xiangyu Zhao, Xuyuan Hu, Zhaolin Deng, Xiangjie Kong, Guojiang Shen
Date: 2025-05-16 00:00:00
Tasks: Question Answering, RAG

Spatiotemporal relationships are critical in data science, as many prediction and reasoning tasks require analysis across both spatial and temporal dimensions--for instance, navigating an unfamiliar city involves planning itineraries that sequence locations and timing cultural experiences. However, existing Question-Answering (QA) datasets lack sufficient spatiotemporal-sensitive questions, making them inadequate benchmarks for evaluating models' spatiotemporal reasoning capabilities. To address this gap, we introduce POI-QA, a novel spatiotemporal-sensitive QA dataset centered on Point of Interest (POI), constructed through three key steps: mining and aligning open-source vehicle trajectory data from GAIA with high-precision geographic POI data, rigorous manual validation of noisy spatiotemporal facts, and generating bilingual (Chinese/English) QA pairs that reflect human-understandable spatiotemporal reasoning tasks. Our dataset challenges models to parse complex spatiotemporal dependencies, and evaluations of state-of-the-art multilingual LLMs (e.g., Qwen2.5-7B, Llama3.1-8B) reveal stark limitations: even the top-performing model (Qwen2.5-7B fine-tuned with RAG+LoRA) achieves a top 10 Hit Ratio (HR@10) of only 0.41 on the easiest task, far below human performance at 0.56. This underscores persistent weaknesses in LLMs' ability to perform consistent spatiotemporal reasoning, while highlighting POI-QA as a robust benchmark to advance algorithms sensitive to spatiotemporal dynamics. The dataset is publicly available at https://www.kaggle.com/ds/7394666.
Physics-informed Temporal Alignment for Auto-regressive PDE Foundation Models
Authors: Congcong Zhu, Xiaoyan Xu, Jiayue Han, Jingrun Chen
Date: 2025-05-16 00:00:00
Tasks: Self-Supervised Learning

Auto-regressive partial differential equation (PDE) foundation models have shown great potential in handling time-dependent data. However, these models suffer from the shortcut problem deeply rooted in auto-regressive prediction, causing error accumulation. The challenge becomes particularly evident for out-of-distribution data, as the pretraining performance may approach random model initialization for downstream tasks with long-term dynamics. To deal with this problem, we propose physics-informed temporal alignment (PITA), a self-supervised learning framework inspired by inverse problem solving. Specifically, PITA aligns the physical dynamics discovered at different time steps on each given PDE trajectory by integrating physics-informed constraints into the self-supervision signal. The alignment is derived from observation data without relying on known physics priors, indicating strong generalization ability to the out-of-distribution data. Extensive experiments show that PITA significantly enhances the accuracy and robustness of existing foundation models on diverse time-dependent PDE data. The code is available at https://github.com/SCAILab-USTC/PITA.
Privacy-Aware Lifelong Learning
Authors: Ozan Özdenizci, Elmar Rueckert, Robert Legenstein
Date: 2025-05-16 00:00:00
Tasks: image-classification, Image Classification, Incremental Learning, Lifelong learning, Machine Unlearning, Transfer Learning

Lifelong learning algorithms enable models to incrementally acquire new knowledge without forgetting previously learned information. Contrarily, the field of machine unlearning focuses on explicitly forgetting certain previous knowledge from pretrained models when requested, in order to comply with data privacy regulations on the right-to-be-forgotten. Enabling efficient lifelong learning with the capability to selectively unlearn sensitive information from models presents a critical and largely unaddressed challenge with contradicting objectives. We address this problem from the perspective of simultaneously preventing catastrophic forgetting and allowing forward knowledge transfer during task-incremental learning, while ensuring exact task unlearning and minimizing memory requirements, based on a single neural network model to be adapted. Our proposed solution, privacy-aware lifelong learning (PALL), involves optimization of task-specific sparse subnetworks with parameter sharing within a single architecture. We additionally utilize an episodic memory rehearsal mechanism to facilitate exact unlearning without performance degradations. We empirically demonstrate the scalability of PALL across various architectures in image classification, and provide a state-of-the-art solution that uniquely integrates lifelong learning and privacy-aware unlearning mechanisms for responsible AI applications.
Certifying Stability of Reinforcement Learning Policies using Generalized Lyapunov Functions
Authors: Kehan Long, Jorge Cortés, Nikolay Atanasov
Date: 2025-05-16 00:00:00
Tasks: Reinforcement Learning (RL)

We study the problem of certifying the stability of closed-loop systems under control policies derived from optimal control or reinforcement learning (RL). Classical Lyapunov methods require a strict step-wise decrease in the Lyapunov function but such a certificate is difficult to construct for a learned control policy. The value function associated with an RL policy is a natural Lyapunov function candidate but it is not clear how it should be modified. To gain intuition, we first study the linear quadratic regulator (LQR) problem and make two key observations. First, a Lyapunov function can be obtained from the value function of an LQR policy by augmenting it with a residual term related to the system dynamics and stage cost. Second, the classical Lyapunov decrease requirement can be relaxed to a generalized Lyapunov condition requiring only decrease on average over multiple time steps. Using this intuition, we consider the nonlinear setting and formulate an approach to learn generalized Lyapunov functions by augmenting RL value functions with neural network residual terms. Our approach successfully certifies the stability of RL policies trained on Gymnasium and DeepMind Control benchmarks. We also extend our method to jointly train neural controllers and stability certificates using a multi-step Lyapunov loss, resulting in larger certified inner approximations of the region of attraction compared to the classical Lyapunov approach. Overall, our formulation enables stability certification for a broad class of systems with learned policies by making certificates easier to construct, thereby bridging classical control theory and modern learning-based methods.
FP64 is All You Need: Rethinking Failure Modes in Physics-Informed Neural Networks
Authors: Chenhui Xu, Dancheng Liu, Amir Nassereldine, JinJun Xiong
Date: 2025-05-16 00:00:00
Tasks: All

Physics Informed Neural Networks (PINNs) often exhibit failure modes in which the PDE residual loss converges while the solution error stays large, a phenomenon traditionally blamed on local optima separated from the true solution by steep loss barriers. We challenge this understanding by demonstrate that the real culprit is insufficient arithmetic precision: with standard FP32, the LBFGS optimizer prematurely satisfies its convergence test, freezing the network in a spurious failure phase. Simply upgrading to FP64 rescues optimization, enabling vanilla PINNs to solve PDEs without any failure modes. These results reframe PINN failure modes as precision induced stalls rather than inescapable local minima and expose a three stage training dynamic unconverged, failure, success whose boundaries shift with numerical precision. Our findings emphasize that rigorous arithmetic precision is the key to dependable PDE solving with neural networks.
Shackled Dancing: A Bit-Locked Diffusion Algorithm for Lossless and Controllable Image Steganography
Authors: Tianshuo Zhang, Gao Jia, Wenzhe Zhai, Rui Yann, Xianglei Xing
Date: 2025-05-16 00:00:00
Tasks: Image Generation, Image Steganography, Steganalysis

Data steganography aims to conceal information within visual content, yet existing spatial- and frequency-domain approaches suffer from trade-offs between security, capacity, and perceptual quality. Recent advances in generative models, particularly diffusion models, offer new avenues for adaptive image synthesis, but integrating precise information embedding into the generative process remains challenging. We introduce Shackled Dancing Diffusion, or SD$^2$, a plug-and-play generative steganography method that combines bit-position locking with diffusion sampling injection to enable controllable information embedding within the generative trajectory. SD$^2$ leverages the expressive power of diffusion models to synthesize diverse carrier images while maintaining full message recovery with $100\%$ accuracy. Our method achieves a favorable balance between randomness and constraint, enhancing robustness against steganalysis without compromising image fidelity. Extensive experiments show that SD$^2$ substantially outperforms prior methods in security, embedding capacity, and stability. This algorithm offers new insights into controllable generation and opens promising directions for secure visual communication.
SubGCache: Accelerating Graph-based RAG with Subgraph-level KV Cache
Authors: Qiuyu Zhu, Liang Zhang, Qianxiong Xu, Cheng Long, Jie Zhang
Date: 2025-05-16 00:00:00
Tasks: RAG, Retrieval, Retrieval-augmented Generation

Graph-based retrieval-augmented generation (RAG) enables large language models (LLMs) to incorporate structured knowledge via graph retrieval as contextual input, enhancing more accurate and context-aware reasoning. We observe that for different queries, it could retrieve similar subgraphs as prompts, and thus we propose SubGCache, which aims to reduce inference latency by reusing computation across queries with similar structural prompts (i.e., subgraphs). Specifically, SubGCache clusters queries based on subgraph embeddings, constructs a representative subgraph for each cluster, and pre-computes the key-value (KV) cache of the representative subgraph. For each query with its retrieved subgraph within a cluster, it reuses the pre-computed KV cache of the representative subgraph of the cluster without computing the KV tensors again for saving computation. Experiments on two new datasets across multiple LLM backbones and graph-based RAG frameworks demonstrate that SubGCache consistently reduces inference latency with comparable and even improved generation quality, achieving up to 6.68$\times$ reduction in time-to-first-token (TTFT).
Constrained Preferential Bayesian Optimization and Its Application in Banner Ad Design
Authors: Koki Iwai, Yusuke Kumagae, Yuki Koyama, Masahiro Hamasaki, Masataka Goto
Date: 2025-05-16 00:00:00
Tasks: Bayesian Optimization

Preferential Bayesian optimization (PBO) is a variant of Bayesian optimization that observes relative preferences (e.g., pairwise comparisons) instead of direct objective values, making it especially suitable for human-in-the-loop scenarios. However, real-world optimization tasks often involve inequality constraints, which existing PBO methods have not yet addressed. To fill this gap, we propose constrained preferential Bayesian optimization (CPBO), an extension of PBO that incorporates inequality constraints for the first time. Specifically, we present a novel acquisition function for this purpose. Our technical evaluation shows that our CPBO method successfully identifies optimal solutions by focusing on exploring feasible regions. As a practical application, we also present a designer-in-the-loop system for banner ad design using CPBO, where the objective is the designer's subjective preference, and the constraint ensures a target predicted click-through rate. We conducted a user study with professional ad designers, demonstrating the potential benefits of our approach in guiding creative design under real-world constraints.