pwc-archive/papers-with-abstracts huggingface dataset:
Two-Stage Pretraining for Molecular Property Prediction in the Wild
Authors: Kevin Tirta Wijaya, Minghao Guo, Michael Sun, Hans-Peter Seidel, Wojciech Matusik, Vahid Babaei
Date: 2024-11-05 00:00:00
Tasks: Denoising, Molecular Property Prediction, Property Prediction

Accurate property prediction is crucial for accelerating the discovery of new molecules. Although deep learning models have achieved remarkable success, their performance often relies on large amounts of labeled data that are expensive and time-consuming to obtain. Thus, there is a growing need for models that can perform well with limited experimentally-validated data. In this work, we introduce MoleVers, a versatile pretrained model designed for various types of molecular property prediction in the wild, i.e., where experimentally-validated molecular property labels are scarce. MoleVers adopts a two-stage pretraining strategy. In the first stage, the model learns molecular representations from large unlabeled datasets via masked atom prediction and dynamic denoising, a novel task enabled by a new branching encoder architecture. In the second stage, MoleVers is further pretrained using auxiliary labels obtained with inexpensive computational methods, enabling supervised learning without the need for costly experimental data. This two-stage framework allows MoleVers to learn representations that generalize effectively across various downstream datasets. We evaluate MoleVers on a new benchmark comprising 22 molecular datasets with diverse types of properties, the majority of which contain 50 or fewer training labels reflecting real-world conditions. MoleVers achieves state-of-the-art results on 20 out of the 22 datasets, and ranks second among the remaining two, highlighting its ability to bridge the gap between data-hungry models and real-world conditions where practically-useful labels are scarce.
Personalized Video Summarization by Multimodal Video Understanding
Authors: Brian Chen, Xiangyuan Zhao, Yingnan Zhu
Date: 2024-11-05 00:00:00
Tasks: Unsupervised Video Summarization, Video Summarization, Video Understanding

Video summarization techniques have been proven to improve the overall user experience when it comes to accessing and comprehending video content. If the user's preference is known, video summarization can identify significant information or relevant content from an input video, aiding them in obtaining the necessary information or determining their interest in watching the original video. Adapting video summarization to various types of video and user preferences requires significant training data and expensive human labeling. To facilitate such research, we proposed a new benchmark for video summarization that captures various user preferences. Also, we present a pipeline called Video Summarization with Language (VSL) for user-preferred video summarization that is based on pre-trained visual language models (VLMs) to avoid the need to train a video summarization system on a large training dataset. The pipeline takes both video and closed captioning as input and performs semantic analysis at the scene level by converting video frames into text. Subsequently, the user's genre preference was used as the basis for selecting the pertinent textual scenes. The experimental results demonstrate that our proposed pipeline outperforms current state-of-the-art unsupervised video summarization models. We show that our method is more adaptable across different datasets compared to supervised query-based video summarization models. In the end, the runtime analysis demonstrates that our pipeline is more suitable for practical use when scaling up the number of user preferences and videos.
Mitigating Metric Bias in Minimum Bayes Risk Decoding
Authors: Geza Kovacs, Daniel Deutsch, Markus Freitag
Date: 2024-11-05 00:00:00

While Minimum Bayes Risk (MBR) decoding using metrics such as COMET or MetricX has outperformed traditional decoding methods such as greedy or beam search, it introduces a challenge we refer to as metric bias. As MBR decoding aims to produce translations that score highly according to a specific utility metric, this very process makes it impossible to use the same metric for both decoding and evaluation, as improvements might simply be due to reward hacking rather than reflecting real quality improvements. In this work we find that compared to human ratings, neural metrics not only overestimate the quality of MBR decoding when the same metric is used as the utility metric, but they also overestimate the quality of MBR/QE decoding with other neural utility metrics as well. We also show that the metric bias issue can be mitigated by using an ensemble of utility metrics during MBR decoding: human evaluations show that MBR decoding using an ensemble of utility metrics outperforms a single utility metric.
Exploring the Potentials and Challenges of Using Large Language Models for the Analysis of Transcriptional Regulation of Long Non-coding RNAs
Authors: Wei Wang, Zhichao Hou, Xiaorui Liu, Xinxia Peng
Date: 2024-11-05 00:00:00
Tasks: Diversity, Model Selection

Research on long non-coding RNAs (lncRNAs) has garnered significant attention due to their critical roles in gene regulation and disease mechanisms. However, the complexity and diversity of lncRNA sequences, along with the limited knowledge of their functional mechanisms and the regulation of their expressions, pose significant challenges to lncRNA studies. Given the tremendous success of large language models (LLMs) in capturing complex dependencies in sequential data, this study aims to systematically explore the potential and limitations of LLMs in the sequence analysis related to the transcriptional regulation of lncRNA genes. Our extensive experiments demonstrated promising performance of fine-tuned genome foundation models on progressively complex tasks. Furthermore, we conducted an insightful analysis of the critical impact of task complexity, model selection, data quality, and biological interpretability for the studies of the regulation of lncRNA gene expression.
AI Metropolis: Scaling Large Language Model-based Multi-Agent Simulation with Out-of-order Execution
Authors: Zhiqiang Xie, Hao Kang, Ying Sheng, Tushar Krishna, Kayvon Fatahalian, Christos Kozyrakis
Date: 2024-11-05 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model, Natural Language Understanding, Scheduling

With more advanced natural language understanding and reasoning capabilities, large language model (LLM)-powered agents are increasingly developed in simulated environments to perform complex tasks, interact with other agents, and exhibit emergent behaviors relevant to social science and gaming. However, current multi-agent simulations frequently suffer from inefficiencies due to the limited parallelism caused by false dependencies, resulting in performance bottlenecks. In this paper, we introduce AI Metropolis, a simulation engine that improves the efficiency of LLM agent simulations by incorporating out-of-order execution scheduling. By dynamically tracking real dependencies between agents, AI Metropolis minimizes false dependencies, enhancing parallelism and enabling efficient hardware utilization. Our evaluations demonstrate that AI Metropolis achieves speedups from 1.3x to 4.15x over standard parallel simulation with global synchronization, approaching optimal performance as the number of agents increases.
Change Is the Only Constant: Dynamic LLM Slicing based on Layer Redundancy
Authors: Razvan-Gabriel Dumitru, Paul-Ioan Clotan, Vikas Yadav, Darius Peteleaza, Mihai Surdeanu
Date: 2024-11-05 00:00:00
Tasks: Model Compression

This paper introduces a novel model compression approach through dynamic layer-specific pruning in Large Language Models (LLMs), enhancing the traditional methodology established by SliceGPT. By transitioning from constant to dynamic slicing, our method leverages the newly proposed Layer Redundancy (LR) score, which assesses how much change each layer changes its input by measuring the cosine similarity of the input to the output of the layer. We use this score to prune parts of individual layers based on redundancy in such a way that the average pruned percentage for all layers is a fixed value. We conducted extensive experiments using models like Llama3-8B and Mistral-7B on multiple datasets, evaluating different slicing bases and percentages to determine optimal configurations that balance efficiency and performance. Our findings show that our dynamic slicing approach not only maintains but, in many cases, enhances model performance compared to the baseline established by constant slicing methods. For instance, in several settings, we see performance improvements of up to 5% over the SliceGPT baseline. Additionally, a perplexity decrease by as much as 7% was observed across multiple benchmarks, validating the effectiveness of our method. The code, model weights, and datasets are open-sourced at https://github.com/RazvanDu/DynamicSlicing.
Automatic Generation of Question Hints for Mathematics Problems using Large Language Models in Educational Technology
Authors: Junior Cedric Tonga, Benjamin Clement, Pierre-Yves Oudeyer
Date: 2024-11-05 00:00:00
Tasks: Math, Misconceptions

The automatic generation of hints by Large Language Models (LLMs) within Intelligent Tutoring Systems (ITSs) has shown potential to enhance student learning. However, generating pedagogically sound hints that address student misconceptions and adhere to specific educational objectives remains challenging. This work explores using LLMs (GPT-4o and Llama-3-8B-instruct) as teachers to generate effective hints for students simulated through LLMs (GPT-3.5-turbo, Llama-3-8B-Instruct, or Mistral-7B-instruct-v0.3) tackling math exercises designed for human high-school students, and designed using cognitive science principles. We present here the study of several dimensions: 1) identifying error patterns made by simulated students on secondary-level math exercises; 2) developing various prompts for GPT-4o as a teacher and evaluating their effectiveness in generating hints that enable simulated students to self-correct; and 3) testing the best-performing prompts, based on their ability to produce relevant hints and facilitate error correction, with Llama-3-8B-Instruct as the teacher, allowing for a performance comparison with GPT-4o. The results show that model errors increase with higher temperature settings. Notably, when hints are generated by GPT-4o, the most effective prompts include prompts tailored to specific errors as well as prompts providing general hints based on common mathematical errors. Interestingly, Llama-3-8B-Instruct as a teacher showed better overall performance than GPT-4o. Also the problem-solving and response revision capabilities of the LLMs as students, particularly GPT-3.5-turbo, improved significantly after receiving hints, especially at lower temperature settings. However, models like Mistral-7B-Instruct demonstrated a decline in performance as the temperature increased.
LLM Generated Distribution-Based Prediction of US Electoral Results, Part I
Authors: Caleb Bradshaw, Caelen Miller, Sean Warnick
Date: 2024-11-05 00:00:00
Tasks: Prediction

This paper introduces distribution-based prediction, a novel approach to using Large Language Models (LLMs) as predictive tools by interpreting output token probabilities as distributions representing the models' learned representation of the world. This distribution-based nature offers an alternative perspective for analyzing algorithmic fidelity, complementing the approach used in silicon sampling. We demonstrate the use of distribution-based prediction in the context of recent United States presidential election, showing that this method can be used to determine task specific bias, prompt noise, and algorithmic fidelity. This approach has significant implications for assessing the reliability and increasing transparency of LLM-based predictions across various domains.
Watson: A Cognitive Observability Framework for the Reasoning of LLM-Powered Agents
Authors: Benjamin Rombaut, Sogol Masoumzadeh, Kirill Vasilevski, Dayi Lin, Ahmed E. Hassan
Date: 2024-11-05 00:00:00
Tasks: MMLU

As foundation models (FMs) play an increasingly prominent role in complex software systems, such as agentic software, they introduce significant observability and debuggability challenges. Although recent Large Reasoning Models (LRMs) generate their thought processes as part of the output, in many scenarios fast-thinking Large Language Models (LLMs) are still preferred due to latency constraints. LLM-powered agents operate autonomously with opaque implicit reasoning, making it difficult to debug their unexpected behaviors or errors. In this paper, we introduce Watson, a novel framework that provides reasoning observability into the implicit reasoning processes of agents driven by fast-thinking LLMs, allowing the identification and localization of errors and guidance for corrections. We demonstrate the accuracy of the recovered implicit reasoning trace by Watson and its usefulness through debugging and improving the performance of LLM-powered agents in two scenarios: Massive Multitask Language Understanding (MMLU) benchmark and SWE-bench-lite. Using Watson, we were able to observe and identify the implicit reasoning errors, and automatically provide targeted corrections at runtime that improve the Pass@1 of agents on MMLU and SWE-bench-lite by 7.58 (13.45% relative improvement) and 7.76 (12.31% relative improvement) percentage points, respectively, without updates to models or the cognitive architecture of the agents.
Solving Trojan Detection Competitions with Linear Weight Classification
Authors: Todd Huster, Peter Lin, Razvan Stefanescu, Emmanuel Ekwedike, Ritu Chadha
Date: 2024-11-05 00:00:00
Tasks: Classification, feature selection

Neural networks can conceal malicious Trojan backdoors that allow a trigger to covertly change the model behavior. Detecting signs of these backdoors, particularly without access to any triggered data, is the subject of ongoing research and open challenges. In one common formulation of the problem, we are given a set of clean and poisoned models and need to predict whether a given test model is clean or poisoned. In this paper, we introduce a detector that works remarkably well across many of the existing datasets and domains. It is obtained by training a binary classifier on a large number of models' weights after performing a few different pre-processing steps including feature selection and standardization, reference model weights subtraction, and model alignment prior to detection. We evaluate this algorithm on a diverse set of Trojan detection benchmarks and domains and examine the cases where the approach is most and least effective.
STEER: Flexible Robotic Manipulation via Dense Language Grounding
Authors: Laura Smith, Alex Irpan, Montserrat Gonzalez Arenas, Sean Kirmani, Dmitry Kalashnikov, Dhruv Shah, Ted Xiao
Date: 2024-11-05 00:00:00

The complexity of the real world demands robotic systems that can intelligently adapt to unseen situations. We present STEER, a robot learning framework that bridges high-level, commonsense reasoning with precise, flexible low-level control. Our approach translates complex situational awareness into actionable low-level behavior through training language-grounded policies with dense annotation. By structuring policy training around fundamental, modular manipulation skills expressed in natural language, STEER exposes an expressive interface for humans or Vision-Language Models (VLMs) to intelligently orchestrate the robot's behavior by reasoning about the task and context. Our experiments demonstrate the skills learned via STEER can be combined to synthesize novel behaviors to adapt to new situations or perform completely new tasks without additional data collection or training.
SimpleFSDP: Simpler Fully Sharded Data Parallel with torch.compile
Authors: Ruisi Zhang, Tianyu Liu, Will Feng, Andrew Gu, Sanket Purandare, Wanchao Liang, Francisco Massa
Date: 2024-11-01 00:00:00

Distributed training of large models consumes enormous computation resources and requires substantial engineering efforts to compose various training techniques. This paper presents SimpleFSDP, a PyTorch-native compiler-based Fully Sharded Data Parallel (FSDP) framework, which has a simple implementation for maintenance and composability, allows full computation-communication graph tracing, and brings performance enhancement via compiler backend optimizations. SimpleFSDP's novelty lies in its unique $torch.compile$-friendly implementation of collective communications using existing PyTorch primitives, namely parametrizations, selective activation checkpointing, and DTensor. It also features the first-of-its-kind intermediate representation (IR) nodes bucketing and reordering in the TorchInductor backend for effective computation-communication overlapping. As a result, users can employ the aforementioned optimizations to automatically or manually wrap model components for minimal communication exposure. Extensive evaluations of SimpleFSDP on Llama 3 models (including the ultra-large 405B) using TorchTitan demonstrate up to 28.54% memory reduction and 68.67% throughput improvement compared to the most widely adopted FSDP2 eager framework, when composed with other distributed training techniques.
Neurons for Neutrons: A Transformer Model for Computation Load Estimation on Domain-Decomposed Neutron Transport Problems
Authors: Alexander Mote, Todd Palmer, Lizhong Chen
Date: 2024-11-05 00:00:00

Domain decomposition is a technique used to reduce memory overhead on large neutron transport problems. Currently, the optimal load-balanced processor allocation for these domains is typically determined through small-scale simulations of the problem, which can be time-consuming for researchers and must be repeated anytime a problem input is changed. We propose a Transformer model with a unique 3D input embedding, and input representations designed for domain-decomposed neutron transport problems, which can predict the subdomain computation loads generated by small-scale simulations. We demonstrate that such a model trained on domain-decomposed Small Modular Reactor (SMR) simulations achieves 98.2% accuracy while being able to skip the small-scale simulation step entirely. Tests of the model's robustness on variant fuel assemblies, other problem geometries, and changes in simulation parameters are also discussed.
An Open API Architecture to Discover the Trustworthy Explanation of Cloud AI Services
Authors: Zerui Wang, Yan Liu, Jun Huang
Date: 2024-11-05 00:00:00

This article presents the design of an open-API-based explainable AI (XAI) service to provide feature contribution explanations for cloud AI services. Cloud AI services are widely used to develop domain-specific applications with precise learning metrics. However, the underlying cloud AI services remain opaque on how the model produces the prediction. We argue that XAI operations are accessible as open APIs to enable the consolidation of the XAI operations into the cloud AI services assessment. We propose a design using a microservice architecture that offers feature contribution explanations for cloud AI services without unfolding the network structure of the cloud models. We can also utilize this architecture to evaluate the model performance and XAI consistency metrics showing cloud AI services trustworthiness. We collect provenance data from operational pipelines to enable reproducibility within the XAI service. Furthermore, we present the discovery scenarios for the experimental tests regarding model performance and XAI consistency metrics for the leading cloud vision AI services. The results confirm that the architecture, based on open APIs, is cloud-agnostic. Additionally, data augmentations result in measurable improvements in XAI consistency metrics for cloud AI services.
Enhanced Real-Time Threat Detection in 5G Networks: A Self-Attention RNN Autoencoder Approach for Spectral Intrusion Analysis
Authors: Mohammadreza Kouchaki, Minglong Zhang, Aly S. Abdalla, Guangchen Lan, Christopher G. Brinton, Vuk Marojevic
Date: 2024-11-05 00:00:00
Tasks: Anomaly Detection, Computational Efficiency, Intrusion Detection, Time Series, Time Series Analysis, Time Series Anomaly Detection

In the rapidly evolving landscape of 5G technology, safeguarding Radio Frequency (RF) environments against sophisticated intrusions is paramount, especially in dynamic spectrum access and management. This paper presents an enhanced experimental model that integrates a self-attention mechanism with a Recurrent Neural Network (RNN)-based autoencoder for the detection of anomalous spectral activities in 5G networks at the waveform level. Our approach, grounded in time-series analysis, processes in-phase and quadrature (I/Q) samples to identify irregularities that could indicate potential jamming attacks. The model's architecture, augmented with a self-attention layer, extends the capabilities of RNN autoencoders, enabling a more nuanced understanding of temporal dependencies and contextual relationships within the RF spectrum. Utilizing a simulated 5G Radio Access Network (RAN) test-bed constructed with srsRAN 5G and Software Defined Radios (SDRs), we generated a comprehensive stream of data that reflects real-world RF spectrum conditions and attack scenarios. The model is trained to reconstruct standard signal behavior, establishing a normative baseline against which deviations, indicative of security threats, are identified. The proposed architecture is designed to balance between detection precision and computational efficiency, so the LSTM network, enriched with self-attention, continues to optimize for minimal execution latency and power consumption. Conducted on a real-world SDR-based testbed, our results demonstrate the model's improved performance and accuracy in threat detection. Keywords: self-attention, real-time intrusion detection, RNN autoencoder, Transformer architecture, LSTM, time series anomaly detection, 5G Security, spectrum access security.
Self-Calibrated Tuning of Vision-Language Models for Out-of-Distribution Detection
Authors: Geng Yu, Jianing Zhu, Jiangchao Yao, Bo Han
Date: 2024-11-05 00:00:00
Tasks: Out-of-Distribution Detection, Out of Distribution (OOD) Detection

Out-of-distribution (OOD) detection is crucial for deploying reliable machine learning models in open-world applications. Recent advances in CLIP-based OOD detection have shown promising results via regularizing prompt tuning with OOD features extracted from ID data. However, the irrelevant context mined from ID data can be spurious due to the inaccurate foreground-background decomposition, thus limiting the OOD detection performance. In this work, we propose a novel framework, namely, Self-Calibrated Tuning (SCT), to mitigate this problem for effective OOD detection with only the given few-shot ID data. Specifically, SCT introduces modulating factors respectively on the two components of the original learning objective. It adaptively directs the optimization process between the two tasks during training on data with different prediction uncertainty to calibrate the influence of OOD regularization, which is compatible with many prompt tuning based OOD detection methods. Extensive experiments and analyses have been conducted to characterize and demonstrate the effectiveness of the proposed SCT. The code is publicly available.