pwc-archive/papers-with-abstracts huggingface dataset:
Position: The Future of Bayesian Prediction Is Prior-Fitted
Authors: Samuel Müller, Arik Reuter, Noah Hollmann, David Rügamer, Frank Hutter
Date: 2025-05-29 00:00:00
Tasks: Bayesian Inference, Position

Training neural networks on randomly generated artificial datasets yields Bayesian models that capture the prior defined by the dataset-generating distribution. Prior-data Fitted Networks (PFNs) are a class of methods designed to leverage this insight. In an era of rapidly increasing computational resources for pre-training and a near stagnation in the generation of new real-world data in many applications, PFNs are poised to play a more important role across a wide range of applications. They enable the efficient allocation of pre-training compute to low-data scenarios. Originally applied to small Bayesian modeling tasks, the field of PFNs has significantly expanded to address more complex domains and larger datasets. This position paper argues that PFNs and other amortized inference approaches represent the future of Bayesian inference, leveraging amortized learning to tackle data-scarce problems. We thus believe they are a fruitful area of research. In this position paper, we explore their potential and directions to address their current limitations.
TSENOR: Highly-Efficient Algorithm for Finding Transposable N:M Sparse Masks
Authors: Xiang Meng, Mehdi Makni, Rahul Mazumder
Date: 2025-05-29 00:00:00
Tasks: GPU, Network Pruning

Network pruning reduces the computational requirements of large neural networks, with N:M sparsity -- retaining only N out of every M consecutive weights -- offering a compelling balance between compressed model quality and hardware acceleration. However, N:M sparsity only accelerates forward-pass computations, as N:M patterns are not preserved during matrix transposition, limiting efficiency during training where both passes are computationally intensive. While transposable N:M sparsity has been proposed to address this limitation, existing methods for finding transposable N:M sparse masks either fail to scale to large models or are restricted to M=4 which results in suboptimal compression-accuracy trade-off. We introduce an efficient solver for transposable N:M masks that scales to billion-parameter models. We formulate mask generation as optimal transport problems and solve through entropy regularization and Dykstra's algorithm, followed by a rounding procedure. Our tensor-based implementation exploits GPU parallelism, achieving up to 100x speedup with only 1-10% error compared to existing methods. Our approach can be integrated with layer-wise N:M pruning frameworks including Wanda, SparseGPT and ALPS to produce transposable N:M sparse models with arbitrary N:M values. Experiments show that LLaMA3.2-8B with transposable 16:32 sparsity maintains performance close to its standard N:M counterpart and outperforms standard 2:4 sparse model, showing the practical value of our approach.
Information Structure in Mappings: An Approach to Learning, Representation, and Generalisation
Authors: Henry Conklin
Date: 2025-05-29 00:00:00
Tasks: Multi-agent Reinforcement Learning

Despite the remarkable success of large large-scale neural networks, we still lack unified notation for thinking about and describing their representational spaces. We lack methods to reliably describe how their representations are structured, how that structure emerges over training, and what kinds of structures are desirable. This thesis introduces quantitative methods for identifying systematic structure in a mapping between spaces, and leverages them to understand how deep-learning models learn to represent information, what representational structures drive generalisation, and how design decisions condition the structures that emerge. To do this I identify structural primitives present in a mapping, along with information theoretic quantifications of each. These allow us to analyse learning, structure, and generalisation across multi-agent reinforcement learning models, sequence-to-sequence models trained on a single task, and Large Language Models. I also introduce a novel, performant, approach to estimating the entropy of vector space, that allows this analysis to be applied to models ranging in size from 1 million to 12 billion parameters. The experiments here work to shed light on how large-scale distributed models of cognition learn, while allowing us to draw parallels between those systems and their human analogs. They show how the structures of language and the constraints that give rise to them in many ways parallel the kinds of structures that drive performance of contemporary neural networks.
VisualSphinx: Large-Scale Synthetic Vision Logic Puzzles for RL
Authors: Yichen Feng, Zhangchen Xu, Fengqing Jiang, Yuetai Li, Bhaskar Ramasubramanian, Luyao Niu, Bill Yuchen Lin, Radha Poovendran
Date: 2025-05-29 00:00:00
Tasks: Arithmetic Reasoning, Image Generation, Logical Reasoning, Multimodal Reasoning

Vision language models (VLMs) are expected to perform effective multimodal reasoning and make logically coherent decisions, which is critical to tasks such as diagram understanding and spatial problem solving. However, current VLM reasoning lacks large-scale and well-structured training datasets. To bridge this gap, we propose VisualSphinx, a first-of-its-kind large-scale synthetic visual logical reasoning training data. To tackle the challenge of image synthesis with grounding answers, we propose a rule-to-image synthesis pipeline, which extracts and expands puzzle rules from seed questions and generates the code of grounding synthesis image synthesis for puzzle sample assembly. Experiments demonstrate that VLM trained using GRPO on VisualSphinx benefit from logical coherence and readability of our dataset and exhibit improved performance on logical reasoning tasks. The enhanced reasoning capabilities developed from VisualSphinx also benefit other reasoning tasks such as algebraic reasoning, arithmetic reasoning and geometry reasoning.
Large Language Models for Controllable Multi-property Multi-objective Molecule Optimization
Authors: Vishal Dey, Xiao Hu, Xia Ning
Date: 2025-05-29 00:00:00
Tasks: Drug Design

In real-world drug design, molecule optimization requires selectively improving multiple molecular properties up to pharmaceutically relevant levels, while maintaining others that already meet such criteria. However, existing computational approaches and instruction-tuned LLMs fail to capture such nuanced property-specific objectives, limiting their practical applicability. To address this, we introduce C-MuMOInstruct, the first instruction-tuning dataset focused on multi-property optimization with explicit, property-specific objectives. Leveraging C-MuMOInstruct, we develop GeLLMO-Cs, a series of instruction-tuned LLMs that can perform targeted property-specific optimization. Our experiments across 5 in-distribution and 5 out-of-distribution tasks show that GeLLMO-Cs consistently outperform strong baselines, achieving up to 126% higher success rate. Notably, GeLLMO-Cs exhibit impressive 0-shot generalization to novel optimization tasks and unseen instructions. This offers a step toward a foundational LLM to support realistic, diverse optimizations with property-specific objectives. C-MuMOInstruct and code are accessible through https://github.com/ninglab/GeLLMO-C.
Is Your Model Fairly Certain? Uncertainty-Aware Fairness Evaluation for LLMs
Authors: Yinong Oliver Wang, Nivedha Sivakumar, Falaah Arif Khan, Rin Metcalf Susa, Adam Golinski, Natalie Mackraz, Barry-John Theobald, Luca Zappella, Nicholas Apostoloff
Date: 2025-05-29 00:00:00
Tasks: Benchmarking, Fairness

The recent rapid adoption of large language models (LLMs) highlights the critical need for benchmarking their fairness. Conventional fairness metrics, which focus on discrete accuracy-based evaluations (i.e., prediction correctness), fail to capture the implicit impact of model uncertainty (e.g., higher model confidence about one group over another despite similar accuracy). To address this limitation, we propose an uncertainty-aware fairness metric, UCerF, to enable a fine-grained evaluation of model fairness that is more reflective of the internal bias in model decisions compared to conventional fairness measures. Furthermore, observing data size, diversity, and clarity issues in current datasets, we introduce a new gender-occupation fairness evaluation dataset with 31,756 samples for co-reference resolution, offering a more diverse and suitable dataset for evaluating modern LLMs. We establish a benchmark, using our metric and dataset, and apply it to evaluate the behavior of ten open-source LLMs. For example, Mistral-7B exhibits suboptimal fairness due to high confidence in incorrect predictions, a detail overlooked by Equalized Odds but captured by UCerF. Overall, our proposed LLM benchmark, which evaluates fairness with uncertainty awareness, paves the way for developing more transparent and accountable AI systems.
Multi-output Classification using a Cross-talk Architecture for Compound Fault Diagnosis of Motors in Partially Labeled Condition
Authors: Wonjun Yi, Wonho Jung, Kangmin Jang, Yong-Hwa Park
Date: 2025-05-29 00:00:00
Tasks: Diagnostic, Domain Adaptation, Fault Diagnosis, Multi-class Classification

The increasing complexity of rotating machinery and the diversity of operating conditions, such as rotating speed and varying torques, have amplified the challenges in fault diagnosis in scenarios requiring domain adaptation, particularly involving compound faults. This study addresses these challenges by introducing a novel multi-output classification (MOC) framework tailored for domain adaptation in partially labeled (PL) target datasets. Unlike conventional multi-class classification (MCC) approaches, the proposed MOC framework classifies the severity levels of compound faults simultaneously. Furthermore, we explore various single-task and multi-task architectures applicable to the MOC formulation-including shared trunk and cross-talk-based designs-for compound fault diagnosis under PL conditions. Based on this investigation, we propose a novel cross-talk layer structure that enables selective information sharing across diagnostic tasks, effectively enhancing classification performance in compound fault scenarios. In addition, frequency-layer normalization was incorporated to improve domain adaptation performance on motor vibration data. Compound fault conditions were implemented using a motor-based test setup, and the proposed model was evaluated across six domain adaptation scenarios. The experimental results demonstrate its superior macro F1 performance compared to baseline models. We further showed that the proposed mode's structural advantage is more pronounced in compound fault settings through a single-fault comparison. We also found that frequency-layer normalization fits the fault diagnosis task better than conventional methods. Lastly, we discuss that this improvement primarily stems from the model's structural ability to leverage inter-fault classification task interactions, rather than from a simple increase in model parameters.
Multi-Modal View Enhanced Large Vision Models for Long-Term Time Series Forecasting
Authors: ChengAo Shen, Wenchao Yu, Ziming Zhao, Dongjin Song, Wei Cheng, Haifeng Chen, Jingchao Ni
Date: 2025-05-29 00:00:00
Tasks: Inductive Bias, Time Series, Time Series Forecasting

Time series, typically represented as numerical sequences, can also be transformed into images and texts, offering multi-modal views (MMVs) of the same underlying signal. These MMVs can reveal complementary patterns and enable the use of powerful pre-trained large models, such as large vision models (LVMs), for long-term time series forecasting (LTSF). However, as we identified in this work, applying LVMs to LTSF poses an inductive bias towards "forecasting periods". To harness this bias, we propose DMMV, a novel decomposition-based multi-modal view framework that leverages trend-seasonal decomposition and a novel backcast residual based adaptive decomposition to integrate MMVs for LTSF. Comparative evaluations against 14 state-of-the-art (SOTA) models across diverse datasets show that DMMV outperforms single-view and existing multi-modal baselines, achieving the best mean squared error (MSE) on 6 out of 8 benchmark datasets.
Diversity of Transformer Layers: One Aspect of Parameter Scaling Laws
Authors: Hidetaka Kamigaito, Ying Zhang, Jingun Kwon, Katsuhiko Hayashi, Manabu Okumura, Taro Watanabe
Date: 2025-05-29 00:00:00
Tasks: Diversity

Transformers deliver outstanding performance across a wide range of tasks and are now a dominant backbone architecture for large language models (LLMs). Their task-solving performance is improved by increasing parameter size, as shown in the recent studies on parameter scaling laws. Although recent mechanistic-interpretability studies have deepened our understanding of the internal behavior of Transformers by analyzing their residual stream, the relationship between these internal mechanisms and the parameter scaling laws remains unclear. To bridge this gap, we focus on layers and their size, which mainly decide the parameter size of Transformers. For this purpose, we first theoretically investigate the layers within the residual stream through a bias-diversity decomposition. The decomposition separates (i) bias, the error of each layer's output from the ground truth, and (ii) diversity, which indicates how much the outputs of each layer differ from each other. Analyzing Transformers under this theory reveals that performance improves when individual layers make predictions close to the correct answer and remain mutually diverse. We show that diversity becomes especially critical when individual layers' outputs are far from the ground truth. Finally, we introduce an information-theoretic diversity and show our main findings that adding layers enhances performance only when those layers behave differently, i.e., are diverse. We also reveal the performance gains from increasing the number of layers exhibit submodularity: marginal improvements diminish as additional layers increase, mirroring the logarithmic convergence predicted by the parameter scaling laws. Experiments on multiple semantic-understanding tasks with various LLMs empirically confirm the theoretical properties derived in this study.
Large Language Model Meets Constraint Propagation
Authors: Alexandre Bonlarron, Florian Régin, Elisabetta De Maria, Jean-Charles Régin
Date: 2025-05-29 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model, model, Text Generation

Large Language Models (LLMs) excel at generating fluent text but struggle to enforce external constraints because they generate tokens sequentially without explicit control mechanisms. GenCP addresses this limitation by combining LLM predictions with Constraint Programming (CP) reasoning, formulating text generation as a Constraint Satisfaction Problem (CSP). In this paper, we improve GenCP by integrating Masked Language Models (MLMs) for domain generation, which allows bidirectional constraint propagation that leverages both past and future tokens. This integration bridges the gap between token-level prediction and structured constraint enforcement, leading to more reliable and constraint-aware text generation. Our evaluation on COLLIE benchmarks demonstrates that incorporating domain preview via MLM calls significantly improves GenCP's performance. Although this approach incurs additional MLM calls and, in some cases, increased backtracking, the overall effect is a more efficient use of LLM inferences and an enhanced ability to generate feasible and meaningful solutions, particularly in tasks with strict content constraints.
Multi-Group Proportional Representation for Text-to-Image Models
Authors: Sangwon Jung, Alex Oesterling, Claudio Mayrink Verdun, Sajani Vithana, Taesup Moon, Flavio P. Calmon
Date: 2025-05-29 00:00:00
Tasks: Image Generation

Text-to-image (T2I) generative models can create vivid, realistic images from textual descriptions. As these models proliferate, they expose new concerns about their ability to represent diverse demographic groups, propagate stereotypes, and efface minority populations. Despite growing attention to the "safe" and "responsible" design of artificial intelligence (AI), there is no established methodology to systematically measure and control representational harms in image generation. This paper introduces a novel framework to measure the representation of intersectional groups in images generated by T2I models by applying the Multi-Group Proportional Representation (MPR) metric. MPR evaluates the worst-case deviation of representation statistics across given population groups in images produced by a generative model, allowing for flexible and context-specific measurements based on user requirements. We also develop an algorithm to optimize T2I models for this metric. Through experiments, we demonstrate that MPR can effectively measure representation statistics across multiple intersectional groups and, when used as a training objective, can guide models toward a more balanced generation across demographic groups while maintaining generation quality.
DINO-R1: Incentivizing Reasoning Capability in Vision Foundation Models
Authors: Chenbin Pan, Wenbin He, Zhengzhong Tu, Liu Ren
Date: 2025-05-29 00:00:00
Tasks: Visual Prompting

The recent explosive interest in the reasoning capabilities of large language models, such as DeepSeek-R1, has demonstrated remarkable success through reinforcement learning-based fine-tuning frameworks, exemplified by methods like Group Relative Policy Optimization (GRPO). However, such reasoning abilities remain underexplored and notably absent in vision foundation models, including representation models like the DINO series. In this work, we propose \textbf{DINO-R1}, the first such attempt to incentivize visual in-context reasoning capabilities of vision foundation models using reinforcement learning. Specifically, DINO-R1 introduces \textbf{Group Relative Query Optimization (GRQO)}, a novel reinforcement-style training strategy explicitly designed for query-based representation models, which computes query-level rewards based on group-normalized alignment quality. We also apply KL-regularization to stabilize the objectness distribution to reduce the training instability. This joint optimization enables dense and expressive supervision across queries while mitigating overfitting and distributional drift. Building upon Grounding-DINO, we train a series of DINO-R1 family models that integrate a visual prompt encoder and a visual-guided query selection mechanism. Extensive experiments on COCO, LVIS, and ODinW demonstrate that DINO-R1 significantly outperforms supervised fine-tuning baselines, achieving strong generalization in both open-vocabulary and closed-set visual prompting scenarios.
MaskAdapt: Unsupervised Geometry-Aware Domain Adaptation Using Multimodal Contextual Learning and RGB-Depth Masking
Authors: Numair Nadeem, Muhammad Hamza Asad, Saeed Anwar, Abdul Bais
Date: 2025-05-29 00:00:00
Tasks: Domain Adaptation, Semantic Segmentation, Unsupervised Domain Adaptation

Semantic segmentation of crops and weeds is crucial for site-specific farm management; however, most existing methods depend on labor intensive pixel-level annotations. A further challenge arises when models trained on one field (source domain) fail to generalize to new fields (target domain) due to domain shifts, such as variations in lighting, camera setups, soil composition, and crop growth stages. Unsupervised Domain Adaptation (UDA) addresses this by enabling adaptation without target-domain labels, but current UDA methods struggle with occlusions and visual blending between crops and weeds, leading to misclassifications in real-world conditions. To overcome these limitations, we introduce MaskAdapt, a novel approach that enhances segmentation accuracy through multimodal contextual learning by integrating RGB images with features derived from depth data. By computing depth gradients from depth maps, our method captures spatial transitions that help resolve texture ambiguities. These gradients, through a cross-attention mechanism, refines RGB feature representations, resulting in sharper boundary delineation. In addition, we propose a geometry-aware masking strategy that applies horizontal, vertical, and stochastic masks during training. This encourages the model to focus on the broader spatial context for robust visual recognition. Evaluations on real agricultural datasets demonstrate that MaskAdapt consistently outperforms existing State-of-the-Art (SOTA) UDA methods, achieving improved segmentation mean Intersection over Union (mIOU) across diverse field conditions.
From Images to Signals: Are Large Vision Models Useful for Time Series Analysis?
Authors: Ziming Zhao, ChengAo Shen, Hanghang Tong, Dongjin Song, Zhigang Deng, Qingsong Wen, Jingchao Ni
Date: 2025-05-29 00:00:00
Tasks: Time Series, Time Series Analysis, Time Series Classification

Transformer-based models have gained increasing attention in time series research, driving interest in Large Language Models (LLMs) and foundation models for time series analysis. As the field moves toward multi-modality, Large Vision Models (LVMs) are emerging as a promising direction. In the past, the effectiveness of Transformer and LLMs in time series has been debated. When it comes to LVMs, a similar question arises: are LVMs truely useful for time series analysis? To address it, we design and conduct the first principled study involving 4 LVMs, 8 imaging methods, 18 datasets and 26 baselines across both high-level (classification) and low-level (forecasting) tasks, with extensive ablation analysis. Our findings indicate LVMs are indeed useful for time series classification but face challenges in forecasting. Although effective, the contemporary best LVM forecasters are limited to specific types of LVMs and imaging methods, exhibit a bias toward forecasting periods, and have limited ability to utilize long look-back windows. We hope our findings could serve as a cornerstone for future research on LVM- and multimodal-based solutions to different time series tasks.
MedPAIR: Measuring Physicians and AI Relevance Alignment in Medical Question Answering
Authors: Yuexing Hao, Kumail Alhamoud, Hyewon Jeong, Haoran Zhang, Isha Puri, Philip Torr, Mike Schaekermann, Ariel D. Stern, Marzyeh Ghassemi
Date: 2025-05-29 00:00:00
Tasks: Medical Question Answering, Question Answering, Sentence

Large Language Models (LLMs) have demonstrated remarkable performance on various medical question-answering (QA) benchmarks, including standardized medical exams. However, correct answers alone do not ensure correct logic, and models may reach accurate conclusions through flawed processes. In this study, we introduce the MedPAIR (Medical Dataset Comparing Physicians and AI Relevance Estimation and Question Answering) dataset to evaluate how physician trainees and LLMs prioritize relevant information when answering QA questions. We obtain annotations on 1,300 QA pairs from 36 physician trainees, labeling each sentence within the question components for relevance. We compare these relevance estimates to those for LLMs, and further evaluate the impact of these "relevant" subsets on downstream task performance for both physician trainees and LLMs. We find that LLMs are frequently not aligned with the content relevance estimates of physician trainees. After filtering out physician trainee-labeled irrelevant sentences, accuracy improves for both the trainees and the LLMs. All LLM and physician trainee-labeled data are available at: http://medpair.csail.mit.edu/.