pwc-archive/papers-with-abstracts huggingface dataset:
Logic Synthesis Optimization with Predictive Self-Supervision via Causal Transformers
Authors: Raika Karimi, Faezeh Faez, Yingxue Zhang, Xing Li, Lei Chen, Mingxuan Yuan, Mahdi Biparva
Date: 2024-09-16 00:00:00
Tasks: Reinforcement Learning (RL)

Contemporary hardware design benefits from the abstraction provided by high-level logic gates, streamlining the implementation of logic circuits. Logic Synthesis Optimization (LSO) operates at one level of abstraction within the Electronic Design Automation (EDA) workflow, targeting improvements in logic circuits with respect to performance metrics such as size and speed in the final layout. Recent trends in the field show a growing interest in leveraging Machine Learning (ML) for EDA, notably through ML-guided logic synthesis utilizing policy-based Reinforcement Learning (RL) methods.Despite these advancements, existing models face challenges such as overfitting and limited generalization, attributed to constrained public circuits and the expressiveness limitations of graph encoders. To address these hurdles, and tackle data scarcity issues, we introduce LSOformer, a novel approach harnessing Autoregressive transformer models and predictive SSL to predict the trajectory of Quality of Results (QoR). LSOformer integrates cross-attention modules to merge insights from circuit graphs and optimization sequences, thereby enhancing prediction accuracy for QoR metrics. Experimental studies validate the effectiveness of LSOformer, showcasing its superior performance over baseline architectures in QoR prediction tasks, where it achieves improvements of 5.74%, 4.35%, and 17.06% on the EPFL, OABCD, and proprietary circuits datasets, respectively, in inductive setup.
Exploring Fine-tuned Generative Models for Keyphrase Selection: A Case Study for Russian
Authors: Anna Glazkova, Dmitry Morozov
Date: 2024-09-16 00:00:00
Tasks: Information Retrieval, Keyphrase Extraction

Keyphrase selection plays a pivotal role within the domain of scholarly texts, facilitating efficient information retrieval, summarization, and indexing. In this work, we explored how to apply fine-tuned generative transformer-based models to the specific task of keyphrase selection within Russian scientific texts. We experimented with four distinct generative models, such as ruT5, ruGPT, mT5, and mBART, and evaluated their performance in both in-domain and cross-domain settings. The experiments were conducted on the texts of Russian scientific abstracts from four domains: mathematics & computer science, history, medicine, and linguistics. The use of generative models, namely mBART, led to gains in in-domain performance (up to 4.9% in BERTScore, 9.0% in ROUGE-1, and 12.2% in F1-score) over three keyphrase extraction baselines for the Russian language. Although the results for cross-domain usage were significantly lower, they still demonstrated the capability to surpass baseline performances in several cases, underscoring the promising potential for further exploration and refinement in this research field.
CSKV: Training-Efficient Channel Shrinking for KV Cache in Long-Context Scenarios
Authors: Luning Wang, Shiyao Li, Xuefei Ning, Zhihang Yuan, Shengen Yan, Guohao Dai, Yu Wang
Date: 2024-09-16 00:00:00

Large Language Models (LLMs) have been widely adopted to process long-context tasks. However, the large memory overhead of the key-value (KV) cache poses significant challenges in long-context scenarios. Existing training-free KV cache compression methods typically focus on quantization and token pruning, which have compression limits, and excessive sparsity can lead to severe performance degradation. Other methods design new architectures with less KV overhead but require significant training overhead. To address the above two drawbacks, we further explore the redundancy in the channel dimension and apply an architecture-level design with minor training costs. Therefore, we introduce CSKV, a training-efficient Channel Shrinking technique for KV cache compression: (1) We first analyze the singular value distribution of the KV cache, revealing significant redundancy and compression potential along the channel dimension. Based on this observation, we propose using low-rank decomposition for key and value layers and storing the low-dimension features. (2) To preserve model performance, we introduce a bi-branch KV cache, including a window-based full-precision KV cache and a low-precision compressed KV cache. (3) To reduce the training costs, we minimize the layer-wise reconstruction loss for the compressed KV cache instead of retraining the entire LLMs. Extensive experiments show that CSKV can reduce the memory overhead of the KV cache by 80% while maintaining the model's long-context capability. Moreover, we show that our method can be seamlessly combined with quantization to further reduce the memory overhead, achieving a compression ratio of up to 95%. Code is available at https://github.com/wln20/CSKV.
Offline Reinforcement Learning for Learning to Dispatch for Job Shop Scheduling
Authors: Jesse van Remmerden, Zaharah Bukhsh, Yingqian Zhang
Date: 2024-09-16 00:00:00
Tasks: Combinatorial Optimization, counterfactual, Job Shop Scheduling, Q-Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Scheduling

The Job Shop Scheduling Problem (JSSP) is a complex combinatorial optimization problem. While online Reinforcement Learning (RL) has shown promise by quickly finding acceptable solutions for JSSP, it faces key limitations: it requires extensive training interactions from scratch leading to sample inefficiency, cannot leverage existing high-quality solutions, and often yields suboptimal results compared to traditional methods like Constraint Programming (CP). We introduce Offline Reinforcement Learning for Learning to Dispatch (Offline-LD), which addresses these limitations by learning from previously generated solutions. Our approach is motivated by scenarios where historical scheduling data and expert solutions are available, although our current evaluation focuses on benchmark problems. Offline-LD adapts two CQL-based Q-learning methods (mQRDQN and discrete mSAC) for maskable action spaces, introduces a novel entropy bonus modification for discrete SAC, and exploits reward normalization through preprocessing. Our experiments demonstrate that Offline-LD outperforms online RL on both generated and benchmark instances. Notably, by introducing noise into the expert dataset, we achieve similar or better results than those obtained from the expert dataset, suggesting that a more diverse training set is preferable because it contains counterfactual information.
ADIOS: Antibody Development via Opponent Shaping
Authors: Sebastian Towers, Aleksandra Kalisz, Philippe A. Robert, Alicia Higueruelo, Francesca Vianello, Ming-Han Chloe Tsai, Harrison Steel, Jakob N. Foerster
Date: 2024-09-16 00:00:00
Tasks: Meta-Learning

Anti-viral therapies are typically designed to target only the current strains of a virus, a myopic response. However, therapy-induced selective pressures drive the emergence of new viral strains, against which the original myopic therapies are no longer effective. This evolutionary response presents an opportunity: our therapies could both defend against and actively influence viral evolution. This motivates our method ADIOS: Antibody Development vIa Opponent Shaping. ADIOS is a meta-learning framework where the process of antibody therapy design, the outer loop, accounts for the virus's adaptive response, the inner loop. With ADIOS, antibodies are not only robust against potential future variants, they also influence, i.e., shape, which future variants emerge. In line with the opponent shaping literature, we refer to our optimised antibodies as shapers. To demonstrate the value of ADIOS, we build a viral evolution simulator using the Absolut! framework, in which shapers successfully target both current and future viral variants, outperforming myopic antibodies. Furthermore, we show that shapers modify the distribution over viral evolutionary trajectories to result in weaker variants. We believe that our ADIOS paradigm will facilitate the discovery of long-lived vaccines and antibody therapies while also generalising to other domains. Specifically, domains such as antimicrobial resistance, cancer treatment, and others with evolutionarily adaptive opponents. Our code is available at https://github.com/olakalisz/adios.
Deep Learning tools to support deforestation monitoring in the Ivory Coast using SAR and Optical satellite imagery
Authors: Gabriele Sartor, Matteo Salis, Stefano Pinardi, Ozgur Saracik, Rosa Meo
Date: 2024-09-16 00:00:00

Deforestation is gaining an increasingly importance due to its strong influence on the sorrounding environment, especially in developing countries where population has a disadvantaged economic condition and agriculture is the main source of income. In Ivory Coast, for instance, where the cocoa production is the most remunerative activity, it is not rare to assist to the replacement of portion of ancient forests with new cocoa plantations. In order to monitor this type of deleterious activities, satellites can be employed to recognize the disappearance of the forest to prevent it from expand its area of interest. In this study, Forest-Non-Forest map (FNF) has been used as ground truth for models based on Sentinel images input. State-of-the-art models U-Net, Attention U-Net, Segnet and FCN32 are compared over different years combining Sentinel-1, Sentinel-2 and cloud probability to create forest/non-forest segmentation. Although Ivory Coast lacks of forest coverage datasets and is partially covered by Sentinel images, it is demonstrated the feasibility to create models classifying forest and non-forests pixels over the area using open datasets to predict where deforestation could have occurred. Although a significant portion of the deforestation research is carried out on visible bands, SAR acquisitions are employed to overcome the limits of RGB images over areas often covered by clouds. Finally, the most promising model is employed to estimate the hectares of forest has been cut between 2019 and 2020.
Motion Forecasting via Model-Based Risk Minimization
Authors: Aron Distelzweig, Eitan Kosman, Andreas Look, Faris Janjoš, Denesh K. Manivannan, Abhinav Valada
Date: 2024-09-16 00:00:00
Tasks: Autonomous Vehicles, model, Motion Forecasting, Prediction, Trajectory Prediction

Forecasting the future trajectories of surrounding agents is crucial for autonomous vehicles to ensure safe, efficient, and comfortable route planning. While model ensembling has improved prediction accuracy in various fields, its application in trajectory prediction is limited due to the multi-modal nature of predictions. In this paper, we propose a novel sampling method applicable to trajectory prediction based on the predictions of multiple models. We first show that conventional sampling based on predicted probabilities can degrade performance due to missing alignment between models. To address this problem, we introduce a new method that generates optimal trajectories from a set of neural networks, framing it as a risk minimization problem with a variable loss function. By using state-of-the-art models as base learners, our approach constructs diverse and effective ensembles for optimal trajectory sampling. Extensive experiments on the nuScenes prediction dataset demonstrate that our method surpasses current state-of-the-art techniques, achieving top ranks on the leaderboard. We also provide a comprehensive empirical study on ensembling strategies, offering insights into their effectiveness. Our findings highlight the potential of advanced ensembling techniques in trajectory prediction, significantly improving predictive performance and paving the way for more reliable predicted trajectories.
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
Authors: Shengchao Liu, Divin Yan, Weitao Du, Weiyang Liu, Zhuoxinran Li, Hongyu Guo, Christian Borgs, Jennifer Chayes, Anima Anandkumar
Date: 2024-09-16 00:00:00
Tasks: Denoising, Drug Design

Artificial intelligence models have shown great potential in structure-based drug design, generating ligands with high binding affinities. However, existing models have often overlooked a crucial physical constraint: atoms must maintain a minimum pairwise distance to avoid separation violation, a phenomenon governed by the balance of attractive and repulsive forces. To mitigate such separation violations, we propose NucleusDiff. It models the interactions between atomic nuclei and their surrounding electron clouds by enforcing the distance constraint between the nuclei and manifolds. We quantitatively evaluate NucleusDiff using the CrossDocked2020 dataset and a COVID-19 therapeutic target, demonstrating that NucleusDiff reduces violation rate by up to 100.00% and enhances binding affinity by up to 22.16%, surpassing state-of-the-art models for structure-based drug design. We also provide qualitative analysis through manifold sampling, visually confirming the effectiveness of NucleusDiff in reducing separation violations and improving binding affinities.
Reinforcement Learning with Quasi-Hyperbolic Discounting
Authors: S. R. Eshwar, Mayank Motwani, Nibedita Roy, Gugan Thoppe
Date: 2024-09-16 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

Reinforcement learning has traditionally been studied with exponential discounting or the average reward setup, mainly due to their mathematical tractability. However, such frameworks fall short of accurately capturing human behavior, which has a bias towards immediate gratification. Quasi-Hyperbolic (QH) discounting is a simple alternative for modeling this bias. Unlike in traditional discounting, though, the optimal QH-policy, starting from some time $t_1,$ can be different to the one starting from $t_2.$ Hence, the future self of an agent, if it is naive or impatient, can deviate from the policy that is optimal at the start, leading to sub-optimal overall returns. To prevent this behavior, an alternative is to work with a policy anchored in a Markov Perfect Equilibrium (MPE). In this work, we propose the first model-free algorithm for finding an MPE. Using a two-timescale analysis, we show that, if our algorithm converges, then the limit must be an MPE. We also validate this claim numerically for the standard inventory system with stochastic demands. Our work significantly advances the practical application of reinforcement learning.
WaveMixSR-V2: Enhancing Super-resolution with Higher Efficiency
Authors: Pranav Jeevan, Neeraj Nixon, Amit Sethi
Date: 2024-09-16 00:00:00
Tasks: Image Super-Resolution, Super-Resolution

Recent advancements in single image super-resolution have been predominantly driven by token mixers and transformer architectures. WaveMixSR utilized the WaveMix architecture, employing a two-dimensional discrete wavelet transform for spatial token mixing, achieving superior performance in super-resolution tasks with remarkable resource efficiency. In this work, we present an enhanced version of the WaveMixSR architecture by (1) replacing the traditional transpose convolution layer with a pixel shuffle operation and (2) implementing a multistage design for higher resolution tasks ($4\times$). Our experiments demonstrate that our enhanced model -- WaveMixSR-V2 -- outperforms other architectures in multiple super-resolution tasks, achieving state-of-the-art for the BSD100 dataset, while also consuming fewer resources, exhibits higher parameter efficiency, lower latency and higher throughput. Our code is available at https://github.com/pranavphoenix/WaveMixSR.
Veridical Data Science for Medical Foundation Models
Authors: Ahmed Alaa, Bin Yu
Date: 2024-09-15 00:00:00
Tasks: Decision Making

The advent of foundation models (FMs) such as large language models (LLMs) has led to a cultural shift in data science, both in medicine and beyond. This shift involves moving away from specialized predictive models trained for specific, well-defined domain questions to generalist FMs pre-trained on vast amounts of unstructured data, which can then be adapted to various clinical tasks and questions. As a result, the standard data science workflow in medicine has been fundamentally altered; the foundation model lifecycle (FMLC) now includes distinct upstream and downstream processes, in which computational resources, model and data access, and decision-making power are distributed among multiple stakeholders. At their core, FMs are fundamentally statistical models, and this new workflow challenges the principles of Veridical Data Science (VDS), hindering the rigorous statistical analysis expected in transparent and scientifically reproducible data science practices. We critically examine the medical FMLC in light of the core principles of VDS: predictability, computability, and stability (PCS), and explain how it deviates from the standard data science workflow. Finally, we propose recommendations for a reimagined medical FMLC that expands and refines the PCS principles for VDS including considering the computational and accessibility constraints inherent to FMs.
Recent advances in deep learning and language models for studying the microbiome
Authors: Binghao Yan, Yunbi Nam, Lingyao Li, Rebecca A. Deek, Hongzhe Li, Siyuan Ma
Date: 2024-09-15 00:00:00
Tasks: Deep Learning, Language Modeling, Language Modelling

Recent advancements in deep learning, particularly large language models (LLMs), made a significant impact on how researchers study microbiome and metagenomics data. Microbial protein and genomic sequences, like natural languages, form a language of life, enabling the adoption of LLMs to extract useful insights from complex microbial ecologies. In this paper, we review applications of deep learning and language models in analyzing microbiome and metagenomics data. We focus on problem formulations, necessary datasets, and the integration of language modeling techniques. We provide an extensive overview of protein/genomic language modeling and their contributions to microbiome studies. We also discuss applications such as novel viromics language modeling, biosynthetic gene cluster prediction, and knowledge integration for metagenomics studies.
GLEAN: Generative Learning for Eliminating Adversarial Noise
Authors: Justin Lyu Kim, Kyoungwan Woo
Date: 2024-09-15 00:00:00

In the age of powerful diffusion models such as DALL-E and Stable Diffusion, many in the digital art community have suffered style mimicry attacks due to fine-tuning these models on their works. The ability to mimic an artist's style via text-to-image diffusion models raises serious ethical issues, especially without explicit consent. Glaze, a tool that applies various ranges of perturbations to digital art, has shown significant success in preventing style mimicry attacks, at the cost of artifacts ranging from imperceptible noise to severe quality degradation. The release of Glaze has sparked further discussions regarding the effectiveness of similar protection methods. In this paper, we propose GLEAN- applying I2I generative networks to strip perturbations from Glazed images, evaluating the performance of style mimicry attacks before and after GLEAN on the results of Glaze. GLEAN aims to support and enhance Glaze by highlighting its limitations and encouraging further development.
Detection Made Easy: Potentials of Large Language Models for Solidity Vulnerabilities
Authors: Md Tauseef Alam, Raju Halder, Abyayananda Maiti
Date: 2024-09-15 00:00:00
Tasks: Multi-class Classification, Vulnerability Detection

The large-scale deployment of Solidity smart contracts on the Ethereum mainnet has increasingly attracted financially-motivated attackers in recent years. A few now-infamous attacks in Ethereum's history includes DAO attack in 2016 (50 million dollars lost), Parity Wallet hack in 2017 (146 million dollars locked), Beautychain's token BEC in 2018 (900 million dollars market value fell to 0), and NFT gaming blockchain breach in 2022 ($600 million in Ether stolen). This paper presents a comprehensive investigation of the use of large language models (LLMs) and their capabilities in detecting OWASP Top Ten vulnerabilities in Solidity. We introduce a novel, class-balanced, structured, and labeled dataset named VulSmart, which we use to benchmark and compare the performance of open-source LLMs such as CodeLlama, Llama2, CodeT5 and Falcon, alongside closed-source models like GPT-3.5 Turbo and GPT-4o Mini. Our proposed SmartVD framework is rigorously tested against these models through extensive automated and manual evaluations, utilizing BLEU and ROUGE metrics to assess the effectiveness of vulnerability detection in smart contracts. We also explore three distinct prompting strategies-zero-shot, few-shot, and chain-of-thought-to evaluate the multi-class classification and generative capabilities of the SmartVD framework. Our findings reveal that SmartVD outperforms its open-source counterparts and even exceeds the performance of closed-source base models like GPT-3.5 and GPT-4 Mini. After fine-tuning, the closed-source models, GPT-3.5 Turbo and GPT-4o Mini, achieved remarkable performance with 99% accuracy in detecting vulnerabilities, 94% in identifying their types, and 98% in determining severity. Notably, SmartVD performs best with the `chain-of-thought' prompting technique, whereas the fine-tuned closed-source models excel with the `zero-shot' prompting approach.
ASFT: Aligned Supervised Fine-Tuning through Absolute Likelihood
Authors: Ruoyu Wang, Jiachen Sun, Shaowei Hua, Quan Fang
Date: 2024-09-14 00:00:00
Tasks: Instruction Following, Text Generation

Direct Preference Optimization (DPO) is a method for enhancing model performance by directly optimizing for the preferences or rankings of outcomes, instead of traditional loss functions. This approach has proven effective in aligning Large Language Models (LLMs) with human preferences. Despite its widespread use across various tasks, DPO has been criticized for its sensitivity to the effectiveness of Supervised Fine-Tuning (SFT) and its limitations in enabling models to learn human-preferred responses, leading to less satisfactory performance. To address these limitations, we propose Aligned Supervised Fine-Tuning (ASFT), an effective approach that better aligns LLMs with pair-wise datasets by optimizing absolute likelihood for each response, rather than using the Bradley-Terry model, and eliminates the need for a reference model. Through theoretical gradient analysis, we demonstrate that ASFT mitigates the issue where the DPO loss function decreases the probability of generating human-dispreferred data at a faster rate than it increases the probability of producing preferred data. Additionally, we compare ASFT to DPO and its latest variants, such as the single-step approach ORPO, using the latest instruction-tuned model Llama3, which has been fine-tuned on UltraFeedback and HH-RLHF. We evaluated performance on instruction-following benchmarks like MT-Bench and traditional text generation metrics such as BLEU-4 and ROUGE-L. Extensive experiments demonstrate that ASFT is an effective alignment approach, consistently outperforming existing methods.