pwc-archive/papers-with-abstracts huggingface dataset:
APOLLO: SGD-like Memory, AdamW-level Performance
Authors: Hanqing Zhu, Zhenyu Zhang, Wenyan Cong, Xi Liu, Sem Park, Vikas Chandra, Bo Long, David Z. Pan, Zhangyang Wang, Jinwon Lee
Date: 2024-12-06 00:00:00
Tasks: GPU, Quantization

Large language models (LLMs) are notoriously memory-intensive during training, particularly with the popular AdamW optimizer. This memory burden necessitates using more or higher-end GPUs or reducing batch sizes, limiting training scalability and throughput. To address this, various memory-efficient optimizers have been proposed to reduce optimizer memory usage. However, they face critical challenges: (i) reliance on costly SVD operations; (ii) significant performance trade-offs compared to AdamW; and (iii) still substantial optimizer memory overhead to maintain competitive performance. In this work, we identify that AdamW's learning rate adaptation rule can be effectively coarsened as a structured learning rate update. Based on this insight, we propose Approximated Gradient Scaling for Memory-Efficient LLM Optimization (APOLLO), which approximates learning rate scaling using an auxiliary low-rank optimizer state based on pure random projection. This structured learning rate update rule makes APOLLO highly tolerant to further memory reductions while delivering comparable pre-training performance. Even its rank-1 variant, APOLLO-Mini, achieves superior pre-training performance compared to AdamW with SGD-level memory costs. Extensive experiments demonstrate that the APOLLO series performs on-par with or better than AdamW, while achieving greater memory savings by nearly eliminating the optimization states of AdamW. These savings provide significant system-level benefits: (1) Enhanced Throughput: 3x throughput on an 8xA100-80GB setup compared to AdamW by supporting 4x larger batch sizes. (2) Improved Model Scalability: Pre-training LLaMA-13B with naive DDP on A100-80GB GPUs without system-level optimizations. (3) Low-End GPU Friendly Pre-training: Pre-training LLaMA-7B on a single GPU using less than 12 GB of memory with weight quantization.
Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases
Authors: Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
Date: 2024-12-06 00:00:00
Tasks: Retrosynthesis

Planning and conducting chemical syntheses remains a major bottleneck in the discovery of functional small molecules, and prevents fully leveraging generative AI for molecular inverse design. While early work has shown that ML-based retrosynthesis models can predict reasonable routes, their low accuracy for less frequent, yet important reactions has been pointed out. As multi-step search algorithms are limited to reactions suggested by the underlying model, the applicability of those tools is inherently constrained by the accuracy of retrosynthesis prediction. Inspired by how chemists use different strategies to ideate reactions, we propose Chimera: a framework for building highly accurate reaction models that combine predictions from diverse sources with complementary inductive biases using a learning-based ensembling strategy. We instantiate the framework with two newly developed models, which already by themselves achieve state of the art in their categories. Through experiments across several orders of magnitude in data scale and time-splits, we show Chimera outperforms all major models by a large margin, owing both to the good individual performance of its constituents, but also to the scalability of our ensembling strategy. Moreover, we find that PhD-level organic chemists prefer predictions from Chimera over baselines in terms of quality. Finally, we transfer the largest-scale checkpoint to an internal dataset from a major pharmaceutical company, showing robust generalization under distribution shift. With the new dimension that our framework unlocks, we anticipate further acceleration in the development of even more accurate models.
Reinforcement Learning: An Overview
Authors: Kevin Murphy
Date: 2024-12-06 00:00:00
Tasks: Decision Making, Deep Reinforcement Learning, Offline RL, Policy Gradient Methods, reinforcement-learning, Reinforcement Learning, Sequential Decision Making

This manuscript gives a big-picture, up-to-date overview of the field of (deep) reinforcement learning and sequential decision making, covering value-based methods, policy-based methods, model-based methods, multi-agent RL, LLMs and RL, and various other topics (e.g., offline RL, hierarchical RL, intrinsic reward).
Extrapolated Urban View Synthesis Benchmark
Authors: Xiangyu Han, Zhen Jia, Boyi Li, Yan Wang, Boris Ivanovic, Yurong You, Lingjie Liu, Yue Wang, Marco Pavone, Chen Feng, Yiming Li
Date: 2024-12-06 00:00:00
Tasks: Autonomous Vehicles, Novel View Synthesis

Photorealistic simulators are essential for the training and evaluation of vision-centric autonomous vehicles (AVs). At their core is Novel View Synthesis (NVS), a crucial capability that generates diverse unseen viewpoints to accommodate the broad and continuous pose distribution of AVs. Recent advances in radiance fields, such as 3D Gaussian Splatting, achieve photorealistic rendering at real-time speeds and have been widely used in modeling large-scale driving scenes. However, their performance is commonly evaluated using an interpolated setup with highly correlated training and test views. In contrast, extrapolation, where test views largely deviate from training views, remains underexplored, limiting progress in generalizable simulation technology. To address this gap, we leverage publicly available AV datasets with multiple traversals, multiple vehicles, and multiple cameras to build the first Extrapolated Urban View Synthesis (EUVS) benchmark. Meanwhile, we conduct both quantitative and qualitative evaluations of state-of-the-art NVS methods across different evaluation settings. Our results show that current NVS methods are prone to overfitting to training views. Besides, incorporating diffusion priors and improving geometry cannot fundamentally improve NVS under large view changes, highlighting the need for more robust approaches and large-scale training. We will release the data to help advance self-driving and urban robotics simulation technology.
TeamCraft: A Benchmark for Multi-Modal Multi-Agent Systems in Minecraft
Authors: Qian Long, Zhi Li, Ran Gong, Ying Nian Wu, Demetri Terzopoulos, Xiaofeng Gao
Date: 2024-12-06 00:00:00
Tasks: Imitation Learning, Minecraft

Collaboration is a cornerstone of society. In the real world, human teammates make use of multi-sensory data to tackle challenging tasks in ever-changing environments. It is essential for embodied agents collaborating in visually-rich environments replete with dynamic interactions to understand multi-modal observations and task specifications. To evaluate the performance of generalizable multi-modal collaborative agents, we present TeamCraft, a multi-modal multi-agent benchmark built on top of the open-world video game Minecraft. The benchmark features 55,000 task variants specified by multi-modal prompts, procedurally-generated expert demonstrations for imitation learning, and carefully designed protocols to evaluate model generalization capabilities. We also perform extensive analyses to better understand the limitations and strengths of existing approaches. Our results indicate that existing models continue to face significant challenges in generalizing to novel goals, scenes, and unseen numbers of agents. These findings underscore the need for further research in this area. The TeamCraft platform and dataset are publicly available at https://github.com/teamcraft-bench/teamcraft.
From classical techniques to convolution-based models: A review of object detection algorithms
Authors: Fnu Neha, Deepshikha Bhati, Deepak Kumar Shukla, Md Amiruzzaman
Date: 2024-12-06 00:00:00
Tasks: Deep Learning, Object, object-detection, Object Detection

Object detection is a fundamental task in computer vision and image understanding, with the goal of identifying and localizing objects of interest within an image while assigning them corresponding class labels. Traditional methods, which relied on handcrafted features and shallow models, struggled with complex visual data and showed limited performance. These methods combined low-level features with contextual information and lacked the ability to capture high-level semantics. Deep learning, especially Convolutional Neural Networks (CNNs), addressed these limitations by automatically learning rich, hierarchical features directly from data. These features include both semantic and high-level representations essential for accurate object detection. This paper reviews object detection frameworks, starting with classical computer vision methods. We categorize object detection approaches into two groups: (1) classical computer vision techniques and (2) CNN-based detectors. We compare major CNN models, discussing their strengths and limitations. In conclusion, this review highlights the significant advancements in object detection through deep learning and identifies key areas for further research to improve performance.
Uncertainty Quantification for Transformer Models for Dark-Pattern Detection
Authors: Javier Muñoz, Álvaro Huertas-García, Carlos Martí-González, Enrique De Miguel Ambite
Date: 2024-12-06 00:00:00
Tasks: Gaussian Processes, Uncertainty Quantification

The opaque nature of transformer-based models, particularly in applications susceptible to unethical practices such as dark-patterns in user interfaces, requires models that integrate uncertainty quantification to enhance trust in predictions. This study focuses on dark-pattern detection, deceptive design choices that manipulate user decisions, undermining autonomy and consent. We propose a differential fine-tuning approach implemented at the final classification head via uncertainty quantification with transformer-based pre-trained models. Employing a dense neural network (DNN) head architecture as a baseline, we examine two methods capable of quantifying uncertainty: Spectral-normalized Neural Gaussian Processes (SNGPs) and Bayesian Neural Networks (BNNs). These methods are evaluated on a set of open-source foundational models across multiple dimensions: model performance, variance in certainty of predictions and environmental impact during training and inference phases. Results demonstrate that integrating uncertainty quantification maintains performance while providing insights into challenging instances within the models. Moreover, the study reveals that the environmental impact does not uniformly increase with the incorporation of uncertainty quantification techniques. The study's findings demonstrate that uncertainty quantification enhances transparency and provides measurable confidence in predictions, improving the explainability and clarity of black-box models. This facilitates informed decision-making and mitigates the influence of dark-patterns on user interfaces. These results highlight the importance of incorporating uncertainty quantification techniques in developing machine learning models, particularly in domains where interpretability and trustworthiness are critical.
Enhancing FKG.in: automating Indian food composition analysis
Authors: Saransh Kumar Gupta, Lipika Dey, Partha Pratim Das, Geeta Trilok-Kumar, Ramesh Jain
Date: 2024-12-06 00:00:00
Tasks: Nutrition

This paper presents a novel approach to compute food composition data for Indian recipes using a knowledge graph for Indian food (FKG.in) and LLMs. The primary focus is to provide a broad overview of an automated food composition analysis workflow and describe its core functionalities: nutrition data aggregation, food composition analysis, and LLM-augmented information resolution. This workflow aims to complement FKG.in and iteratively supplement food composition data from verified knowledge bases. Additionally, this paper highlights the challenges of representing Indian food and accessing food composition data digitally. It also reviews three key sources of food composition data: the Indian Food Composition Tables, the Indian Nutrient Databank, and the Nutritionix API. Furthermore, it briefly outlines how users can interact with the workflow to obtain diet-based health recommendations and detailed food composition information for numerous recipes. We then explore the complex challenges of analyzing Indian recipe information across dimensions such as structure, multilingualism, and uncertainty as well as present our ongoing work on LLM-based solutions to address these issues. The methods proposed in this workshop paper for AI-driven knowledge curation and information resolution are application-agnostic, generalizable, and replicable for any domain.
Enhancing Foundation Models for Time Series Forecasting via Wavelet-based Tokenization
Authors: Luca Masserano, Abdul Fatir Ansari, Boran Han, Xiyuan Zhang, Christos Faloutsos, Michael W. Mahoney, Andrew Gordon Wilson, Youngsuk Park, Syama Rangapuram, Danielle C. Maddix, Yuyang Wang
Date: 2024-12-06 00:00:00
Tasks: Time Series, Time Series Forecasting

How to best develop foundational models for time series forecasting remains an important open question. Tokenization is a crucial consideration in this effort: what is an effective discrete vocabulary for a real-valued sequential input? To address this question, we develop WaveToken, a wavelet-based tokenizer that allows models to learn complex representations directly in the space of time-localized frequencies. Our method first scales and decomposes the input time series, then thresholds and quantizes the wavelet coefficients, and finally pre-trains an autoregressive model to forecast coefficients for the forecast horizon. By decomposing coarse and fine structures in the inputs, wavelets provide an eloquent and compact language for time series forecasting that simplifies learning. Empirical results on a comprehensive benchmark, including 42 datasets for both in-domain and zero-shot settings, show that WaveToken: i) provides better accuracy than recently proposed foundation models for forecasting while using a much smaller vocabulary (1024 tokens), and performs on par or better than modern deep learning models trained specifically on each dataset; and ii) exhibits superior generalization capabilities, achieving the best average rank across all datasets for three complementary metrics. In addition, we show that our method can easily capture complex temporal patterns of practical relevance that are challenging for other recent pre-trained models, including trends, sparse spikes, and non-stationary time series with varying frequencies evolving over time.
CompCap: Improving Multimodal Large Language Models with Composite Captions
Authors: Xiaohui Chen, Satya Narayan Shukla, Mahmoud Azab, Aashu Singh, Qifan Wang, David Yang, Shengyun Peng, Hanchao Yu, Shen Yan, Xuewen Zhang, Baosheng He
Date: 2024-12-06 00:00:00

How well can Multimodal Large Language Models (MLLMs) understand composite images? Composite images (CIs) are synthetic visuals created by merging multiple visual elements, such as charts, posters, or screenshots, rather than being captured directly by a camera. While CIs are prevalent in real-world applications, recent MLLM developments have primarily focused on interpreting natural images (NIs). Our research reveals that current MLLMs face significant challenges in accurately understanding CIs, often struggling to extract information or perform complex reasoning based on these images. We find that existing training data for CIs are mostly formatted for question-answer tasks (e.g., in datasets like ChartQA and ScienceQA), while high-quality image-caption datasets, critical for robust vision-language alignment, are only available for NIs. To bridge this gap, we introduce Composite Captions (CompCap), a flexible framework that leverages Large Language Models (LLMs) and automation tools to synthesize CIs with accurate and detailed captions. Using CompCap, we curate CompCap-118K, a dataset containing 118K image-caption pairs across six CI types. We validate the effectiveness of CompCap-118K by supervised fine-tuning MLLMs of three sizes: xGen-MM-inst.-4B and LLaVA-NeXT-Vicuna-7B/13B. Empirical results show that CompCap-118K significantly enhances MLLMs' understanding of CIs, yielding average gains of 1.7%, 2.0%, and 2.9% across eleven benchmarks, respectively.
BEExformer: A Fast Inferencing Transformer Architecture via Binarization with Multiple Early Exits
Authors: Wazib Ansar, Saptarsi Goswami, Amlan Chakrabarti
Date: 2024-12-06 00:00:00
Tasks: Binarization, Knowledge Distillation

Large Language Models (LLMs) based on transformers achieve cutting-edge results on a variety of applications. However, their enormous size and processing requirements make deployment on devices with constrained resources extremely difficult. Among various efficiency considerations, model binarization and Early Exit (EE) are common effective solutions. However, binarization may lead to performance loss due to reduced precision affecting gradient estimation and parameter updates. Besides, the present early-exit mechanisms are still in the nascent stages of research. To ameliorate these issues, we propose Binarized Early Exit Transformer (BEExformer), the first-ever selective learning transformer architecture to combine early exit with binarization for textual inference. It improves the binarization process through a differentiable second-order approximation to the impulse function. This enables gradient computation concerning both the sign as well as the magnitude of the weights. In contrast to absolute threshold-based EE, the proposed EE mechanism hinges on fractional reduction in entropy among intermediate transformer blocks with soft-routing loss estimation. While binarization results in 18.44 times reduction in model size, early exit reduces the FLOPs during inference by 54.85% and even improves accuracy by 5.98% through resolving the "overthinking" problem inherent in deep networks. Moreover, the proposed BEExformer simplifies training by not requiring knowledge distillation from a full-precision LLM. Extensive evaluation on the GLUE dataset and comparison with the SOTA works showcase its pareto-optimal performance-efficiency trade-off.
AI's assigned gender affects human-AI cooperation
Authors: Sepideh Bazazi, Jurgis Karpus, Taha Yasseri
Date: 2024-12-06 00:00:00

Cooperation between humans and machines is increasingly vital as artificial intelligence (AI) becomes more integrated into daily life. Research indicates that people are often less willing to cooperate with AI agents than with humans, more readily exploiting AI for personal gain. While prior studies have shown that giving AI agents human-like features influences people's cooperation with them, the impact of AI's assigned gender remains underexplored. This study investigates how human cooperation varies based on gender labels assigned to AI agents with which they interact. In the Prisoner's Dilemma game, 402 participants interacted with partners labelled as AI (bot) or humans. The partners were also labelled male, female, non-binary, or gender-neutral. Results revealed that participants tended to exploit female-labelled and distrust male-labelled AI agents more than their human counterparts, reflecting gender biases similar to those in human-human interactions. These findings highlight the significance of gender biases in human-AI interactions that must be considered in future policy, design of interactive AI systems, and regulation of their use.
A Survey of Large Language Model-Based Generative AI for Text-to-SQL: Benchmarks, Applications, Use Cases, and Challenges
Authors: Aditi Singh, Akash Shetty, Abul Ehtesham, Saket Kumar, Tala Talaei Khoei
Date: 2024-12-06 00:00:00
Tasks: Domain Generalization, Language Modeling, Language Modelling, Large Language Model, Natural Language Queries, Text to SQL, Text-To-SQL

Text-to-SQL systems facilitate smooth interaction with databases by translating natural language queries into Structured Query Language (SQL), bridging the gap between non-technical users and complex database management systems. This survey provides a comprehensive overview of the evolution of AI-driven text-to-SQL systems, highlighting their foundational components, advancements in large language model (LLM) architectures, and the critical role of datasets such as Spider, WikiSQL, and CoSQL in driving progress. We examine the applications of text-to-SQL in domains like healthcare, education, and finance, emphasizing their transformative potential for improving data accessibility. Additionally, we analyze persistent challenges, including domain generalization, query optimization, support for multi-turn conversational interactions, and the limited availability of datasets tailored for NoSQL databases and dynamic real-world scenarios. To address these challenges, we outline future research directions, such as extending text-to-SQL capabilities to support NoSQL databases, designing datasets for dynamic multi-turn interactions, and optimizing systems for real-world scalability and robustness. By surveying current advancements and identifying key gaps, this paper aims to guide the next generation of research and applications in LLM-based text-to-SQL systems.
ConQRet: Benchmarking Fine-Grained Evaluation of Retrieval Augmented Argumentation with LLM Judges
Authors: Kaustubh D. Dhole, Kai Shu, Eugene Agichtein
Date: 2024-12-06 00:00:00
Tasks: Benchmarking, Retrieval, Retrieval-augmented Generation

Computational argumentation, which involves generating answers or summaries for controversial topics like abortion bans and vaccination, has become increasingly important in today's polarized environment. Sophisticated LLM capabilities offer the potential to provide nuanced, evidence-based answers to such questions through Retrieval-Augmented Argumentation (RAArg), leveraging real-world evidence for high-quality, grounded arguments. However, evaluating RAArg remains challenging, as human evaluation is costly and difficult for complex, lengthy answers on complicated topics. At the same time, re-using existing argumentation datasets is no longer sufficient, as they lack long, complex arguments and realistic evidence from potentially misleading sources, limiting holistic evaluation of retrieval effectiveness and argument quality. To address these gaps, we investigate automated evaluation methods using multiple fine-grained LLM judges, providing better and more interpretable assessments than traditional single-score metrics and even previously reported human crowdsourcing. To validate the proposed techniques, we introduce ConQRet, a new benchmark featuring long and complex human-authored arguments on debated topics, grounded in real-world websites, allowing an exhaustive evaluation across retrieval effectiveness, argument quality, and groundedness. We validate our LLM Judges on a prior dataset and the new ConQRet benchmark. Our proposed LLM Judges and the ConQRet benchmark can enable rapid progress in computational argumentation and can be naturally extended to other complex retrieval-augmented generation tasks.