pwc-archive/papers-with-abstracts huggingface dataset:
Training-Free Guidance Beyond Differentiability: Scalable Path Steering with Tree Search in Diffusion and Flow Models
Authors: Yingqing Guo, Yukang Yang, Hui Yuan, Mengdi Wang
Date: 2025-02-17 00:00:00
Tasks: Music Generation

Training-free guidance enables controlled generation in diffusion and flow models, but most existing methods assume differentiable objectives and rely on gradients. This work focuses on training-free guidance addressing challenges from non-differentiable objectives and discrete data distributions. We propose an algorithmic framework TreeG: Tree Search-Based Path Steering Guidance, applicable to both continuous and discrete settings in diffusion and flow models. TreeG offers a unified perspective on training-free guidance: proposing candidates for the next step, evaluating candidates, and selecting the best to move forward, enhanced by a tree search mechanism over active paths or parallelizing exploration. We comprehensively investigate the design space of TreeG over the candidate proposal module and the evaluation function, instantiating TreeG into three novel algorithms. Our experiments show that TreeG consistently outperforms the top guidance baselines in symbolic music generation, small molecule generation, and enhancer DNA design, all of which involve non-differentiable challenges. Additionally, we identify an inference-time scaling law showing TreeG's scalability in inference-time computation.
ADO: Automatic Data Optimization for Inputs in LLM Prompts
Authors: Sam Lin, Wenyue Hua, Lingyao Li, Zhenting Wang, Yongfeng Zhang
Date: 2025-02-17 00:00:00
Tasks: Missing Values, Prompt Engineering

This study explores a novel approach to enhance the performance of Large Language Models (LLMs) through the optimization of input data within prompts. While previous research has primarily focused on refining instruction components and augmenting input data with in-context examples, our work investigates the potential benefits of optimizing the input data itself. We introduce a two-pronged strategy for input data optimization: content engineering and structural reformulation. Content engineering involves imputing missing values, removing irrelevant attributes, and enriching profiles by generating additional information inferred from existing attributes. Subsequent to content engineering, structural reformulation is applied to optimize the presentation of the modified content to LLMs, given their sensitivity to input format. Our findings suggest that these optimizations can significantly improve the performance of LLMs in various tasks, offering a promising avenue for future research in prompt engineering. The source code is available at https://anonymous.4open.science/r/ADO-6BC5/
Continuous Diffusion Model for Language Modeling
Authors: Jaehyeong Jo, Sung Ju Hwang
Date: 2025-02-17 00:00:00
Tasks: Language Modeling, Language Modelling, model

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at \href{https://github.com/harryjo97/RDLM}{https://github.com/harryjo97/RDLM}.
Towards a Trustworthy Anomaly Detection for Critical Applications through Approximated Partial AUC Loss
Authors: Arnaud Bougaham, Benoît Frénay
Date: 2025-02-17 00:00:00
Tasks: Anomaly Detection

Anomaly Detection is a crucial step for critical applications such in the industrial, medical or cybersecurity domains. These sectors share the same requirement of handling differently the different types of classification errors. Indeed, even if false positives are acceptable, false negatives are not, because it would reflect a missed detection of a quality issue, a disease or a cyber threat. To fulfill this requirement, we propose a method that dynamically applies a trustworthy approximated partial AUC ROC loss (tapAUC). A binary classifier is trained to optimize the specific range of the AUC ROC curve that prevents the True Positive Rate (TPR) to reach 100% while minimizing the False Positive Rate (FPR). The optimal threshold that does not trigger any false negative is then kept and used at the test step. The results show a TPR of 92.52% at a 20.43% FPR for an average across 6 datasets, representing a TPR improvement of 4.3% for a FPR cost of 12.2% against other state-of-the-art methods. The code is available at https://github.com/ArnaudBougaham/tapAUC.
GraphThought: Graph Combinatorial Optimization with Thought Generation
Authors: Zixiao Huang, Lifeng Guo, Junjie Sheng, Haosheng Chen, Wenhao Li, Bo Jin, Changhong Lu, Xiangfeng Wang
Date: 2025-02-17 00:00:00
Tasks: Combinatorial Optimization

Large language models (LLMs) have demonstrated remarkable capabilities across various domains, especially in text processing and generative tasks. Recent advancements in the reasoning capabilities of state-of-the-art LLMs, such as OpenAI-o1, have significantly broadened their applicability, particularly in complex problem-solving and logical inference. However, most existing LLMs struggle with notable limitations in handling graph combinatorial optimization (GCO) problems. To bridge this gap, we formally define the Optimal Thoughts Design (OTD) problem, including its state and action thought space. We then introduce a novel framework, GraphThought, designed to generate high-quality thought datasets for GCO problems. Leveraging these datasets, we fine-tune the Llama-3-8B-Instruct model to develop Llama-GT. Notably, despite its compact 8B-parameter architecture, Llama-GT matches the performance of state-of-the-art LLMs on the GraphArena benchmark. Experimental results show that our approach outperforms both proprietary and open-source models, even rivaling specialized models like o1-mini. This work sets a new state-of-the-art benchmark while challenging the prevailing notion that model scale is the primary driver of reasoning capability.
Exploiting Task Relationships for Continual Learning Using Transferability-Aware Task Embeddings
Authors: Yanru Wu, Xiangyu Chen, Jianning Wang, Enming Zhang, Hanbing Liu, Yang Li
Date: 2025-02-17 00:00:00
Tasks: Continual Learning, Permuted-MNIST

Continual learning (CL) has been an essential topic in the contemporary application of deep neural networks, where catastrophic forgetting (CF) can impede a model's ability to acquire knowledge progressively. Existing CL strategies primarily address CF by regularizing model updates or separating task-specific and shared components. However, these methods focus on task model elements while overlooking the potential of leveraging inter-task relationships for learning enhancement. To address this, we propose a transferability-aware task embedding named H-embedding and train a hypernet under its guidance to learn task-conditioned model weights for CL tasks. Particularly, H-embedding is introduced based on an information theoretical transferability measure and is designed to be online and easy to compute. The framework is also characterized by notable practicality, which only requires storing a low-dimensional task embedding for each task, and can be efficiently trained in an end-to-end way. Extensive evaluations and experimental analyses on datasets including Permuted MNIST, Cifar10/100, and ImageNet-R demonstrate that our framework performs prominently compared to various baseline methods, displaying great potential in exploiting intrinsic task relationships.
Hyperspherical Energy Transformer with Recurrent Depth
Authors: Yunzhe Hu, Difan Zou, Dong Xu
Date: 2025-02-17 00:00:00

Transformer-based foundation models have achieved unprecedented success with a gigantic amount of parameters and computational resources. Yet, the core building blocks of these models, the Transformer layers, and how they are arranged and configured are primarily engineered from the bottom up and driven by heuristics. For advancing next-generation architectures, it demands exploring a prototypical model that is amenable to high interpretability and of practical competence. To this end, we take a step from the top-down view and design neural networks from an energy minimization perspective. Specifically, to promote isotropic token distribution on the sphere, we formulate a modified Hopfield energy function on the subspace-embedded hypersphere, based on which Transformer layers with symmetric structures are designed as the iterative optimization for the energy function. By integrating layers with the same parameters, we propose \textit{Hyper-Spherical Energy Transformer} (Hyper-SET), an alternative to the vanilla Transformer with recurrent depth. This design inherently provides greater interpretability and allows for scaling to deeper layers without a significant increase in the number of parameters. We also empirically demonstrate that Hyper-SET achieves comparable or even superior performance on both synthetic and real-world tasks, such as solving Sudoku and masked image modeling, while utilizing fewer parameters.
Spectral structure learning for clinical time series
Authors: Ivan Lerner, Anita Burgun, Francis Bach
Date: 2025-02-17 00:00:00
Tasks: Time Series

We develop and evaluate a structure learning algorithm for clinical time series. Clinical time series are multivariate time series observed in multiple patients and irregularly sampled, challenging existing structure learning algorithms. We assume that our times series are realizations of StructGP, a k-dimensional multi-output or multi-task stationary Gaussian process (GP), with independent patients sharing the same covariance function. StructGP encodes ordered conditional relations between time series, represented in a directed acyclic graph. We implement an adapted NOTEARS algorithm, which based on a differentiable definition of acyclicity, recovers the graph by solving a series of continuous optimization problems. Simulation results show that up to mean degree 3 and 20 tasks, we reach a median recall of 0.93% [IQR, 0.86, 0.97] while keeping a median precision of 0.71% [0.57-0.84], for recovering directed edges. We further show that the regularization path is key to identifying the graph. With StructGP, we proposed a model of time series dependencies, that flexibly adapt to different time series regularity, while enabling us to learn these dependencies from observations.
Mitigating Visual Knowledge Forgetting in MLLM Instruction-tuning via Modality-decoupled Gradient Descent
Authors: Junda Wu, Yuxin Xiong, Xintong Li, Yu Xia, Ruoyu Wang, Yu Wang, Tong Yu, Sungchul Kim, Ryan A. Rossi, Lina Yao, Jingbo Shang, Julian McAuley
Date: 2025-02-17 00:00:00
Tasks: Continual Learning, parameter-efficient fine-tuning

Recent MLLMs have shown emerging visual understanding and reasoning abilities after being pre-trained on large-scale multimodal datasets. Unlike pre-training, where MLLMs receive rich visual-text alignment, instruction-tuning is often text-driven with weaker visual supervision, leading to the degradation of pre-trained visual understanding and causing visual forgetting. Existing approaches, such as direct fine-tuning and continual learning methods, fail to explicitly address this issue, often compressing visual representations and prioritizing task alignment over visual retention, which further worsens visual forgetting. To overcome this limitation, we introduce a novel perspective leveraging effective rank to quantify the degradation of visual representation richness, interpreting this degradation through the information bottleneck principle as excessive compression that leads to the degradation of crucial pre-trained visual knowledge. Building on this view, we propose a modality-decoupled gradient descent (MDGD) method that regulates gradient updates to maintain the effective rank of visual representations while mitigating the over-compression effects described by the information bottleneck. By explicitly disentangling the optimization of visual understanding from task-specific alignment, MDGD preserves pre-trained visual knowledge while enabling efficient task adaptation. To enable lightweight instruction-tuning, we further develop a memory-efficient fine-tuning approach using gradient masking, which selectively updates a subset of model parameters to enable parameter-efficient fine-tuning (PEFT), reducing computational overhead while preserving rich visual representations. Extensive experiments across various downstream tasks and backbone MLLMs demonstrate that MDGD effectively mitigates visual forgetting from pre-trained tasks while enabling strong adaptation to new tasks.
IMTS-Mixer: Mixer-Networks for Irregular Multivariate Time Series Forecasting
Authors: Christian Klötergens, Tim Dernedde, Lars Schmidt-Thieme
Date: 2025-02-17 00:00:00
Tasks: Computational Efficiency, Missing Values, Multivariate Time Series Forecasting, Time Series, Time Series Forecasting

Forecasting Irregular Multivariate Time Series (IMTS) has recently emerged as a distinct research field, necessitating specialized models to address its unique challenges. While most forecasting literature assumes regularly spaced observations without missing values, many real-world datasets - particularly in healthcare, climate research, and biomechanics - violate these assumptions. Time Series (TS)-mixer models have achieved remarkable success in regular multivariate time series forecasting. However, they remain unexplored for IMTS due to their requirement for complete and evenly spaced observations. To bridge this gap, we introduce IMTS-Mixer, a novel forecasting architecture designed specifically for IMTS. Our approach retains the core principles of TS mixer models while introducing innovative methods to transform IMTS into fixed-size matrix representations, enabling their seamless integration with mixer modules. We evaluate IMTS-Mixer on a benchmark of four real-world datasets from various domains. Our results demonstrate that IMTS-Mixer establishes a new state-of-the-art in forecasting accuracy while also improving computational efficiency.
Model Generalization on Text Attribute Graphs: Principles with Large Language Models
Authors: Haoyu Wang, Shikun Liu, Rongzhe Wei, Pan Li
Date: 2025-02-17 00:00:00
Tasks: Attribute, Graph Learning, TAG, Zero-shot Generalization

Large language models (LLMs) have recently been introduced to graph learning, aiming to extend their zero-shot generalization success to tasks where labeled graph data is scarce. Among these applications, inference over text-attributed graphs (TAGs) presents unique challenges: existing methods struggle with LLMs' limited context length for processing large node neighborhoods and the misalignment between node embeddings and the LLM token space. To address these issues, we establish two key principles for ensuring generalization and derive the framework LLM-BP accordingly: (1) Unifying the attribute space with task-adaptive embeddings, where we leverage LLM-based encoders and task-aware prompting to enhance generalization of the text attribute embeddings; (2) Developing a generalizable graph information aggregation mechanism, for which we adopt belief propagation with LLM-estimated parameters that adapt across graphs. Evaluations on 11 real-world TAG benchmarks demonstrate that LLM-BP significantly outperforms existing approaches, achieving 8.10% improvement with task-conditional embeddings and an additional 1.71% gain from adaptive aggregation.
StructTransform: A Scalable Attack Surface for Safety-Aligned Large Language Models
Authors: Shehel Yoosuf, Temoor Ali, Ahmed Lekssays, Mashael AlSabah, Issa Khalil
Date: 2025-02-17 00:00:00
Tasks: Safety Alignment

In this work, we present a series of structure transformation attacks on LLM alignment, where we encode natural language intent using diverse syntax spaces, ranging from simple structure formats and basic query languages (e.g. SQL) to new novel spaces and syntaxes created entirely by LLMs. Our extensive evaluation shows that our simplest attacks can achieve close to 90% success rate, even on strict LLMs (such as Claude 3.5 Sonnet) using SOTA alignment mechanisms. We improve the attack performance further by using an adaptive scheme that combines structure transformations along with existing \textit{content transformations}, resulting in over 96% ASR with 0% refusals. To generalize our attacks, we explore numerous structure formats, including syntaxes purely generated by LLMs. Our results indicate that such novel syntaxes are easy to generate and result in a high ASR, suggesting that defending against our attacks is not a straightforward process. Finally, we develop a benchmark and evaluate existing safety-alignment defenses against it, showing that most of them fail with 100% ASR. Our results show that existing safety alignment mostly relies on token-level patterns without recognizing harmful concepts, highlighting and motivating the need for serious research efforts in this direction. As a case study, we demonstrate how attackers can use our attack to easily generate a sample malware, and a corpus of fraudulent SMS messages, which perform well in bypassing detection.
Adversarial Alignment for LLMs Requires Simpler, Reproducible, and More Measurable Objectives
Authors: Leo Schwinn, Yan Scholten, Tom Wollschläger, Sophie Xhonneux, Stephen Casper, Stephan Günnemann, Gauthier Gidel
Date: 2025-02-17 00:00:00
Tasks: Adversarial Robustness

Misaligned research objectives have considerably hindered progress in adversarial robustness research over the past decade. For instance, an extensive focus on optimizing target metrics, while neglecting rigorous standardized evaluation, has led researchers to pursue ad-hoc heuristic defenses that were seemingly effective. Yet, most of these were exposed as flawed by subsequent evaluations, ultimately contributing little measurable progress to the field. In this position paper, we illustrate that current research on the robustness of large language models (LLMs) risks repeating past patterns with potentially worsened real-world implications. To address this, we argue that realigned objectives are necessary for meaningful progress in adversarial alignment. To this end, we build on established cybersecurity taxonomy to formally define differences between past and emerging threat models that apply to LLMs. Using this framework, we illustrate that progress requires disentangling adversarial alignment into addressable sub-problems and returning to core academic principles, such as measureability, reproducibility, and comparability. Although the field presents significant challenges, the fresh start on adversarial robustness offers the unique opportunity to build on past experience while avoiding previous mistakes.
Continual Learning Should Move Beyond Incremental Classification
Authors: Rupert Mitchell, Antonio Alliegro, Raffaello Camoriano, Dustin Carrión-Ojeda, Antonio Carta, Georgia Chalvatzaki, Nikhil Churamani, Carlo D'Eramo, Samin Hamidi, Robin Hesse, Fabian Hinder, Roshni Ramanna Kamath, Vincenzo Lomonaco, Subarnaduti Paul, Francesca Pistilli, Tinne Tuytelaars, Gido M van de Ven, Kristian Kersting, Simone Schaub-Meyer, Martin Mundt
Date: 2025-02-17 00:00:00
Tasks: Classification, Continual Learning, Density Estimation, Memorization

Continual learning (CL) is the sub-field of machine learning concerned with accumulating knowledge in dynamic environments. So far, CL research has mainly focused on incremental classification tasks, where models learn to classify new categories while retaining knowledge of previously learned ones. Here, we argue that maintaining such a focus limits both theoretical development and practical applicability of CL methods. Through a detailed analysis of concrete examples - including multi-target classification, robotics with constrained output spaces, learning in continuous task domains, and higher-level concept memorization - we demonstrate how current CL approaches often fail when applied beyond standard classification. We identify three fundamental challenges: (C1) the nature of continuity in learning problems, (C2) the choice of appropriate spaces and metrics for measuring similarity, and (C3) the role of learning objectives beyond classification. For each challenge, we provide specific recommendations to help move the field forward, including formalizing temporal dynamics through distribution processes, developing principled approaches for continuous task spaces, and incorporating density estimation and generative objectives. In so doing, this position paper aims to broaden the scope of CL research while strengthening its theoretical foundations, making it more applicable to real-world problems.
Selective Task Group Updates for Multi-Task Optimization
Authors: Wooseong Jeong, Kuk-Jin Yoon
Date: 2025-02-17 00:00:00
Tasks: Multi-Task Learning

Multi-task learning enables the acquisition of task-generic knowledge by training multiple tasks within a unified architecture. However, training all tasks together in a single architecture can lead to performance degradation, known as negative transfer, which is a main concern in multi-task learning. Previous works have addressed this issue by optimizing the multi-task network through gradient manipulation or weighted loss adjustments. However, their optimization strategy focuses on addressing task imbalance in shared parameters, neglecting the learning of task-specific parameters. As a result, they show limitations in mitigating negative transfer, since the learning of shared space and task-specific information influences each other during optimization. To address this, we propose a different approach to enhance multi-task performance by selectively grouping tasks and updating them for each batch during optimization. We introduce an algorithm that adaptively determines how to effectively group tasks and update them during the learning process. To track inter-task relations and optimize multi-task networks simultaneously, we propose proximal inter-task affinity, which can be measured during the optimization process. We provide a theoretical analysis on how dividing tasks into multiple groups and updating them sequentially significantly affects multi-task performance by enhancing the learning of task-specific parameters. Our methods substantially outperform previous multi-task optimization approaches and are scalable to different architectures and various numbers of tasks.