pwc-archive/papers-with-abstracts huggingface dataset:
Precise Antigen-Antibody Structure Predictions Enhance Antibody Development with HelixFold-Multimer
Authors: Jie Gao, Jing Hu, Lihang Liu, Yang Xue, Kunrui Zhu, Xiaonan Zhang, Xiaomin Fang
Date: 2024-12-13 00:00:00

The accurate prediction of antigen-antibody structures is essential for advancing immunology and therapeutic development, as it helps elucidate molecular interactions that underlie immune responses. Despite recent progress with deep learning models like AlphaFold and RoseTTAFold, accurately modeling antigen-antibody complexes remains a challenge due to their unique evolutionary characteristics. HelixFold-Multimer, a specialized model developed for this purpose, builds on the framework of AlphaFold-Multimer and demonstrates improved precision for antigen-antibody structures. HelixFold-Multimer not only surpasses other models in accuracy but also provides essential insights into antibody development, enabling more precise identification of binding sites, improved interaction prediction, and enhanced design of therapeutic antibodies. These advances underscore HelixFold-Multimer's potential in supporting antibody research and therapeutic innovation.
MERaLiON-AudioLLM: Bridging Audio and Language with Large Language Models
Authors: Yingxu He, Zhuohan Liu, Shuo Sun, Bin Wang, Wenyu Zhang, Xunlong Zou, Nancy F. Chen, Ai Ti Aw
Date: 2024-12-13 00:00:00
Tasks: speech-recognition, Speech Recognition

We introduce MERaLiON-AudioLLM (Multimodal Empathetic Reasoning and Learning in One Network), the first speech-text model tailored for Singapore's multilingual and multicultural landscape. Developed under the National Large Language Models Funding Initiative, Singapore, MERaLiON-AudioLLM integrates advanced speech and text processing to address the diverse linguistic nuances of local accents and dialects, enhancing accessibility and usability in complex, multilingual environments. Our results demonstrate improvements in both speech recognition and task-specific understanding, positioning MERaLiON-AudioLLM as a pioneering solution for region specific AI applications. We envision this release to set a precedent for future models designed to address localised linguistic and cultural contexts in a global framework.
Federated Learning of Dynamic Bayesian Network via Continuous Optimization from Time Series Data
Authors: Jianhong Chen, Ying Ma, Xubo Yue
Date: 2024-12-13 00:00:00
Tasks: Causal Discovery, Federated Learning, Personalized Federated Learning, Time Series

Traditionally, learning the structure of a Dynamic Bayesian Network has been centralized, requiring all data to be pooled in one location. However, in real-world scenarios, data are often distributed across multiple entities (e.g., companies, devices) that seek to collaboratively learn a Dynamic Bayesian Network while preserving data privacy and security. More importantly, due to the presence of diverse clients, the data may follow different distributions, resulting in data heterogeneity. This heterogeneity poses additional challenges for centralized approaches. In this study, we first introduce a federated learning approach for estimating the structure of a Dynamic Bayesian Network from homogeneous time series data that are horizontally distributed across different parties. We then extend this approach to heterogeneous time series data by incorporating a proximal operator as a regularization term in a personalized federated learning framework. To this end, we propose \texttt{FDBNL} and \texttt{PFDBNL}, which leverage continuous optimization, ensuring that only model parameters are exchanged during the optimization process. Experimental results on synthetic and real-world datasets demonstrate that our method outperforms state-of-the-art techniques, particularly in scenarios with many clients and limited individual sample sizes.
Universal Inceptive GNNs by Eliminating the Smoothness-generalization Dilemma
Authors: Ming Gu, Zhuonan Zheng, Sheng Zhou, Meihan Liu, Jiawei Chen, Tanyu Qiao, Liangcheng Li, Jiajun Bu
Date: 2024-12-13 00:00:00

Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains, such as transaction and social net-works. However, their application is often hindered by the varyinghomophily levels across different orders of neighboring nodes, ne-cessitating separate model designs for homophilic and heterophilicgraphs. In this paper, we aim to develop a unified framework ca-pable of handling neighborhoods of various orders and homophilylevels. Through theoretical exploration, we identify a previouslyoverlooked architectural aspect in multi-hop learning: the cascadedependency, which leads to asmoothness-generalization dilemma.This dilemma significantly affects the learning process, especiallyin the context of high-order neighborhoods and heterophilic graphs.To resolve this issue, we propose an Inceptive Graph Neural Net-work (IGNN), a universal message-passing framework that replacesthe cascade dependency with an inceptive architecture. IGNN pro-vides independent representations for each hop, allowing personal-ized generalization capabilities, and captures neighborhood-wiserelationships to select appropriate receptive fields. Extensive ex-periments show that our IGNN outperforms 23 baseline methods,demonstrating superior performance on both homophilic and het-erophilic graphs, while also scaling efficiently to large graphs.
CP-DETR: Concept Prompt Guide DETR Toward Stronger Universal Object Detection
Authors: Qibo Chen, Weizhong Jin, Jianyue Ge, Mengdi Liu, Yuchao Yan, Jian Jiang, Li Yu, Xuanjiang Guo, Shuchang Li, Jianzhong Chen
Date: 2024-12-13 00:00:00
Tasks: object-detection, Object Detection, Zero-Shot Object Detection

Recent research on universal object detection aims to introduce language in a SoTA closed-set detector and then generalize the open-set concepts by constructing large-scale (text-region) datasets for training. However, these methods face two main challenges: (i) how to efficiently use the prior information in the prompts to genericise objects and (ii) how to reduce alignment bias in the downstream tasks, both leading to sub-optimal performance in some scenarios beyond pre-training. To address these challenges, we propose a strong universal detection foundation model called CP-DETR, which is competitive in almost all scenarios, with only one pre-training weight. Specifically, we design an efficient prompt visual hybrid encoder that enhances the information interaction between prompt and visual through scale-by-scale and multi-scale fusion modules. Then, the hybrid encoder is facilitated to fully utilize the prompted information by prompt multi-label loss and auxiliary detection head. In addition to text prompts, we have designed two practical concept prompt generation methods, visual prompt and optimized prompt, to extract abstract concepts through concrete visual examples and stably reduce alignment bias in downstream tasks. With these effective designs, CP-DETR demonstrates superior universal detection performance in a broad spectrum of scenarios. For example, our Swin-T backbone model achieves 47.6 zero-shot AP on LVIS, and the Swin-L backbone model achieves 32.2 zero-shot AP on ODinW35. Furthermore, our visual prompt generation method achieves 68.4 AP on COCO val by interactive detection, and the optimized prompt achieves 73.1 fully-shot AP on ODinW13.
AutoPatent: A Multi-Agent Framework for Automatic Patent Generation
Authors: Qiyao Wang, Shiwen Ni, Huaren Liu, Shule Lu, Guhong Chen, Xi Feng, Chi Wei, Qiang Qu, Hamid Alinejad-Rokny, Yuan Lin, Min Yang
Date: 2024-12-13 00:00:00
Tasks: Text Generation

As the capabilities of Large Language Models (LLMs) continue to advance, the field of patent processing has garnered increased attention within the natural language processing community. However, the majority of research has been concentrated on classification tasks, such as patent categorization and examination, or on short text generation tasks like patent summarization and patent quizzes. In this paper, we introduce a novel and practical task known as Draft2Patent, along with its corresponding D2P benchmark, which challenges LLMs to generate full-length patents averaging 17K tokens based on initial drafts. Patents present a significant challenge to LLMs due to their specialized nature, standardized terminology, and extensive length. We propose a multi-agent framework called AutoPatent which leverages the LLM-based planner agent, writer agents, and examiner agent with PGTree and RRAG to generate lengthy, intricate, and high-quality complete patent documents. The experimental results demonstrate that our AutoPatent framework significantly enhances the ability to generate comprehensive patents across various LLMs. Furthermore, we have discovered that patents generated solely with the AutoPatent framework based on the Qwen2.5-7B model outperform those produced by larger and more powerful LLMs, such as GPT-4o, Qwen2.5-72B, and LLAMA3.1-70B, in both objective metrics and human evaluations. We will make the data and code available upon acceptance at \url{https://github.com/QiYao-Wang/AutoPatent}.
Semi-IIN: Semi-supervised Intra-inter modal Interaction Learning Network for Multimodal Sentiment Analysis
Authors: Jinhao Lin, Yifei Wang, Yanwu Xu, Qi Liu
Date: 2024-12-13 00:00:00
Tasks: Multimodal Sentiment Analysis, Sentiment Analysis

Despite multimodal sentiment analysis being a fertile research ground that merits further investigation, current approaches take up high annotation cost and suffer from label ambiguity, non-amicable to high-quality labeled data acquisition. Furthermore, choosing the right interactions is essential because the significance of intra- or inter-modal interactions can differ among various samples. To this end, we propose Semi-IIN, a Semi-supervised Intra-inter modal Interaction learning Network for multimodal sentiment analysis. Semi-IIN integrates masked attention and gating mechanisms, enabling effective dynamic selection after independently capturing intra- and inter-modal interactive information. Combined with the self-training approach, Semi-IIN fully utilizes the knowledge learned from unlabeled data. Experimental results on two public datasets, MOSI and MOSEI, demonstrate the effectiveness of Semi-IIN, establishing a new state-of-the-art on several metrics. Code is available at https://github.com/flow-ljh/Semi-IIN.
Learning Visually Grounded Domain Ontologies via Embodied Conversation and Explanation
Authors: Jonghyuk Park, Alex Lascarides, Subramanian Ramamoorthy
Date: 2024-12-13 00:00:00

In this paper, we offer a learning framework in which the agent's knowledge gaps are overcome through corrective feedback from a teacher whenever the agent explains its (incorrect) predictions. We test it in a low-resource visual processing scenario, in which the agent must learn to recognize distinct types of toy truck. The agent starts the learning process with no ontology about what types of trucks exist nor which parts they have, and a deficient model for recognizing those parts from visual input. The teacher's feedback to the agent's explanations addresses its lack of relevant knowledge in the ontology via a generic rule (e.g., "dump trucks have dumpers"), whereas an inaccurate part recognition is corrected by a deictic statement (e.g., "this is not a dumper"). The learner utilizes this feedback not only to improve its estimate of the hypothesis space of possible domain ontologies and probability distributions over them, but also to use those estimates to update its visual interpretation of the scene. Our experiments demonstrate that teacher-learner pairs utilizing explanations and corrections are more data-efficient than those without such a faculty.
Memory Layers at Scale
Authors: Vincent-Pierre Berges, Barlas Oğuz, Daniel Haziza, Wen-tau Yih, Luke Zettlemoyer, Gargi Ghosh
Date: 2024-12-12 00:00:00

Memory layers use a trainable key-value lookup mechanism to add extra parameters to a model without increasing FLOPs. Conceptually, sparsely activated memory layers complement compute-heavy dense feed-forward layers, providing dedicated capacity to store and retrieve information cheaply. This work takes memory layers beyond proof-of-concept, proving their utility at contemporary scale. On downstream tasks, language models augmented with our improved memory layer outperform dense models with more than twice the computation budget, as well as mixture-of-expert models when matched for both compute and parameters. We find gains are especially pronounced for factual tasks. We provide a fully parallelizable memory layer implementation, demonstrating scaling laws with up to 128B memory parameters, pretrained to 1 trillion tokens, comparing to base models with up to 8B parameters.
Congruence-based Learning of Probabilistic Deterministic Finite Automata
Authors: Matías Carrasco, Franz Mayr, Sergio Yovine
Date: 2024-12-12 00:00:00
Tasks: Active Learning, Language Modeling, Language Modelling

This work studies the question of learning probabilistic deterministic automata from language models. For this purpose, it focuses on analyzing the relations defined on algebraic structures over strings by equivalences and similarities on probability distributions. We introduce a congruence that extends the classical Myhill-Nerode congruence for formal languages. This new congruence is the basis for defining regularity over language models. We present an active learning algorithm that computes the quotient with respect to this congruence whenever the language model is regular. The paper also defines the notion of recognizability for language models and shows that it coincides with regularity for congruences. For relations which are not congruences, it shows that this is not the case. Finally, it discusses the impact of this result on learning in the context of language models.
AI red-teaming is a sociotechnical challenge: on values, labor, and harms
Authors: Tarleton Gillespie, Ryland Shaw, Mary L. Gray, Jina Suh
Date: 2024-12-12 00:00:00
Tasks: Red Teaming

As generative AI technologies find more and more real-world applications, the importance of testing their performance and safety seems paramount. "Red-teaming" has quickly become the primary approach to test AI models--prioritized by AI companies, and enshrined in AI policy and regulation. Members of red teams act as adversaries, probing AI systems to test their safety mechanisms and uncover vulnerabilities. Yet we know far too little about this work or its implications. This essay calls for collaboration between computer scientists and social scientists to study the sociotechnical systems surrounding AI technologies, including the work of red-teaming, to avoid repeating the mistakes of the recent past. We highlight the importance of understanding the values and assumptions behind red-teaming, the labor arrangements involved, and the psychological impacts on red-teamers, drawing insights from the lessons learned around the work of content moderation.
On Round-Off Errors and Gaussian Blur in Superresolution and in Image Registration
Authors: Serap A. Savari
Date: 2024-12-12 00:00:00
Tasks: Image Registration, Quantization

Superresolution theory and techniques seek to recover signals from samples in the presence of blur and noise. Discrete image registration can be an approach to fuse information from different sets of samples of the same signal. Quantization errors in the spatial domain are inherent to digital images. We consider superresolution and discrete image registration for one-dimensional spatially-limited piecewise constant functions which are subject to blur which is Gaussian or a mixture of Gaussians as well as to round-off errors. We describe a signal-dependent measurement matrix which captures both types of effects. For this setting we show that the difficulties in determining the discontinuity points from two sets of samples even in the absence of other types of noise. If the samples are also subject to statistical noise, then it is necessary to align and segment the data sequences to make the most effective inferences about the amplitudes and discontinuity points. Under some conditions on the blur, the noise, and the distance between discontinuity points, we prove that we can correctly align and determine the first samples following each discontinuity point in two data sequences with an approach based on dynamic programming.
Let Curves Speak: A Continuous Glucose Monitor based Large Sensor Foundation Model for Diabetes Management
Authors: Junjie Luo, Abhimanyu Kumbara, Mansur Shomali, Rui Han, Anand Iyer, Ritu Agarwal, Gordon Gao
Date: 2024-12-12 00:00:00
Tasks: Management, Prediction

While previous studies of AI in diabetes management focus on long-term risk, research on near-future glucose prediction remains limited but important as it enables timely diabetes self-management. Integrating AI with continuous glucose monitoring (CGM) holds promise for near-future glucose prediction. However, existing models have limitations in capturing patterns of blood glucose fluctuations and demonstrate poor generalizability. A robust approach is needed to leverage massive CGM data for near-future glucose prediction. We propose large sensor models (LSMs) to capture knowledge in CGM data by modeling patients as sequences of glucose. CGM-LSM is pretrained on 15.96 million glucose records from 592 diabetes patients for near-future glucose prediction. We evaluated CGM-LSM against state-of-the-art methods using the OhioT1DM dataset across various metrics, prediction horizons, and unseen patients. Additionally, we assessed its generalizability across factors like diabetes type, age, gender, and hour of day. CGM-LSM achieved exceptional performance, with an rMSE of 29.81 mg/dL for type 1 diabetes patients and 23.49 mg/dL for type 2 diabetes patients in a two-hour prediction horizon. For the OhioT1DM dataset, CGM-LSM achieved a one-hour rMSE of 15.64 mg/dL, halving the previous best of 31.97 mg/dL. Robustness analyses revealed consistent performance not only for unseen patients and future periods, but also across diabetes type, age, and gender. The model demonstrated adaptability to different hours of day, maintaining accuracy across periods of various activity intensity levels. CGM-LSM represents a transformative step in diabetes management by leveraging pretraining to uncover latent glucose generation patterns in sensor data. Our findings also underscore the broader potential of LSMs to drive innovation across domains involving complex sensor data.
The Unreasonable Effectiveness of Gaussian Score Approximation for Diffusion Models and its Applications
Authors: Binxu Wang, John J. Vastola
Date: 2024-12-12 00:00:00

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.
TransferLight: Zero-Shot Traffic Signal Control on any Road-Network
Authors: Johann Schmidt, Frank Dreyer, Sayed Abid Hashimi, Sebastian Stober
Date: 2024-12-12 00:00:00
Tasks: Graph Neural Network, Traffic Signal Control

Traffic signal control plays a crucial role in urban mobility. However, existing methods often struggle to generalize beyond their training environments to unseen scenarios with varying traffic dynamics. We present TransferLight, a novel framework designed for robust generalization across road-networks, diverse traffic conditions and intersection geometries. At its core, we propose a log-distance reward function, offering spatially-aware signal prioritization while remaining adaptable to varied lane configurations - overcoming the limitations of traditional pressure-based rewards. Our hierarchical, heterogeneous, and directed graph neural network architecture effectively captures granular traffic dynamics, enabling transferability to arbitrary intersection layouts. Using a decentralized multi-agent approach, global rewards, and novel state transition priors, we develop a single, weight-tied policy that scales zero-shot to any road network without re-training. Through domain randomization during training, we additionally enhance generalization capabilities. Experimental results validate TransferLight's superior performance in unseen scenarios, advancing practical, generalizable intelligent transportation systems to meet evolving urban traffic demands.
CUAL: Continual Uncertainty-aware Active Learner
Authors: Amanda Rios, Ibrahima Ndiour, Parual Datta, Jerry Sydir, Omesh Tickoo, Nilesh Ahuja
Date: 2024-12-12 00:00:00
Tasks: AI Agent

AI deployed in many real-world use cases should be capable of adapting to novelties encountered after deployment. Here, we consider a challenging, under-explored and realistic continual adaptation problem: a deployed AI agent is continuously provided with unlabeled data that may contain not only unseen samples of known classes but also samples from novel (unknown) classes. In such a challenging setting, it has only a tiny labeling budget to query the most informative samples to help it continuously learn. We present a comprehensive solution to this complex problem with our model "CUAL" (Continual Uncertainty-aware Active Learner). CUAL leverages an uncertainty estimation algorithm to prioritize active labeling of ambiguous (uncertain) predicted novel class samples while also simultaneously pseudo-labeling the most certain predictions of each class. Evaluations across multiple datasets, ablations, settings and backbones (e.g. ViT foundation model) demonstrate our method's effectiveness. We will release our code upon acceptance.