Overview
Vision Paper: Designing Graph Neural Networks in Compliance with the European Artificial Intelligence Act
Hoffmann, Barbara, Vatter, Jana, Mayer, Ruben
The European Union's Artificial Intelligence Act (AI Act) introduces comprehensive guidelines for the development and oversight of Artificial Intelligence (AI) and Machine Learning (ML) systems, with significant implications for Graph Neural Networks (GNNs). This paper addresses the unique challenges posed by the AI Act for GNNs, which operate on complex graph-structured data. The legislation's requirements for data management, data governance, robustness, human oversight, and privacy necessitate tailored strategies for GNNs. Our study explores the impact of these requirements on GNN training and proposes methods to ensure compliance. We provide an in-depth analysis of bias, robustness, explainability, and privacy in the context of GNNs, highlighting the need for fair sampling strategies and effective interpretability techniques. Our contributions fill the research gap by offering specific guidance for GNNs under the new legislative framework and identifying open questions and future research directions.
Can Knowledge Editing Really Correct Hallucinations?
Huang, Baixiang, Chen, Canyu, Xu, Xiongxiao, Payani, Ali, Shu, Kai
Large Language Models (LLMs) suffer from hallucinations, referring to the nonfactual information in generated content, despite their superior capacities across tasks. Meanwhile, knowledge editing has been developed as a new popular paradigm to correct the erroneous factual knowledge encoded in LLMs with the advantage of avoiding retraining from scratch. However, one common issue of existing evaluation datasets for knowledge editing is that they do not ensure LLMs actually generate hallucinated answers to the evaluation questions before editing. When LLMs are evaluated on such datasets after being edited by different techniques, it is hard to directly adopt the performance to assess the effectiveness of different knowledge editing methods in correcting hallucinations. Thus, the fundamental question remains insufficiently validated: Can knowledge editing really correct hallucinations in LLMs? We proposed HalluEditBench to holistically benchmark knowledge editing methods in correcting real-world hallucinations. First, we rigorously construct a massive hallucination dataset with 9 domains, 26 topics and more than 6, 000 hallucinations. Then, we assess the performance of knowledge editing methods in a holistic way on five dimensions including Efficacy, Generalization, Portability, Locality, and Robustness. Through HalluEditBench, we have provided new insights into the potentials and limitations of different knowledge editing methods in correcting hallucinations, which could inspire future improvements and facilitate the progress in the field of knowledge editing. Considering Table 1: Performance measured by Accuracy (%) the high cost of retraining LLMs from scratch, of Llama2-7B before editing ("Pre-edit") and after knowledge editing has been designed as a new applying typical knowledge editing methods ("Postedit") paradigm to correct erroneous or outdated factual on common existing evaluation datasets. When such datasets are adopted to evaluate the performance of LLMs after being edited, it is hard to directly use the scores to judge the effectiveness of different knowledge editing techniques in correcting hallucinations, which is the motivation of applying knowledge editing to LLMs. To better illustrate this point, following the evaluation setting in (Zhang et al., 2024e), we conducted a preliminary study to examine the pre-edit and post-edit performances of Llama2-7B on the aforementioned Who is the Chief Scientist of OpenAI? Who is the Chief Scientist of OpenAI? Who is the Chief Scientist of OpenAI?
GraphCLIP: Enhancing Transferability in Graph Foundation Models for Text-Attributed Graphs
Zhu, Yun, Shi, Haizhou, Wang, Xiaotang, Liu, Yongchao, Wang, Yaoke, Peng, Boci, Hong, Chuntao, Tang, Siliang
Recently, research on Text-Attributed Graphs (TAGs) has gained significant attention due to the prevalence of free-text node features in real-world applications and the advancements in Large Language Models (LLMs) that bolster TAG methodologies. However, current TAG approaches face two primary challenges: (i) Heavy reliance on label information and (ii) Limited cross-domain zero/few-shot transferability. These issues constrain the scaling of both data and model size, owing to high labor costs and scaling laws, complicating the development of graph foundation models with strong transferability. In this work, we propose the GraphCLIP framework to address these challenges by learning graph foundation models with strong cross-domain zero/few-shot transferability through a self-supervised contrastive graph-summary pretraining method. Specifically, we generate and curate large-scale graph-summary pair data with the assistance of LLMs, and introduce a novel graph-summary pretraining method, combined with invariant learning, to enhance graph foundation models with strong cross-domain zero-shot transferability. For few-shot learning, we propose a novel graph prompt tuning technique aligned with our pretraining objective to mitigate catastrophic forgetting and minimize learning costs. Extensive experiments show the superiority of GraphCLIP in both zero-shot and few-shot settings, while evaluations across various downstream tasks confirm the versatility of GraphCLIP. Our code is available at: https://github.com/ZhuYun97/GraphCLIP
Agentic Information Retrieval
Zhang, Weinan, Liao, Junwei, Li, Ning, Du, Kounianhua
What will information entry look like in the next generation of digital products? Since the 1970s, user access to relevant information has relied on domain-specific architectures of information retrieval (IR). Over the past two decades, the advent of modern IR systems, including web search engines and personalized recommender systems, has greatly improved the efficiency of retrieving relevant information from vast data corpora. However, the core paradigm of these IR systems remains largely unchanged, relying on filtering a predefined set of candidate items. Since 2022, breakthroughs in large language models (LLMs) have begun transforming how information is accessed, establishing a new technical paradigm. In this position paper, we introduce Agentic Information Retrieval (Agentic IR), a novel IR paradigm shaped by the capabilities of LLM agents. Agentic IR expands the scope of accessible tasks and leverages a suite of new techniques to redefine information retrieval. We discuss three types of cutting-edge applications of agentic IR and the challenges faced. We propose that agentic IR holds promise for generating innovative applications, potentially becoming a central information entry point in future digital ecosystems.
System 2 Reasoning Capabilities Are Nigh
In recent years, machine learning models have made strides towards human-like reasoning capabilities from several directions. In this work, we review the current state of the literature and describe the remaining steps to achieve a neural model which can perform System 2 reasoning analogous to a human. We argue that if current models are insufficient to be classed as performing reasoning, there remains very little additional progress needed to attain that goal.
Motion Planning for Robotics: A Review for Sampling-based Planners
Zhang, Liding, Cai, Kuanqi, Sun, Zewei, Bing, Zhenshan, Wang, Chaoqun, Figueredo, Luis, Haddadin, Sami, Knoll, Alois
Recent advancements in robotics have transformed industries such as manufacturing, logistics, surgery, and planetary exploration. A key challenge is developing efficient motion planning algorithms that allow robots to navigate complex environments while avoiding collisions and optimizing metrics like path length, sweep area, execution time, and energy consumption. Among the available algorithms, sampling-based methods have gained the most traction in both research and industry due to their ability to handle complex environments, explore free space, and offer probabilistic completeness along with other formal guarantees. Despite their widespread application, significant challenges still remain. To advance future planning algorithms, it is essential to review the current state-of-the-art solutions and their limitations. In this context, this work aims to shed light on these challenges and assess the development and applicability of sampling-based methods. Furthermore, we aim to provide an in-depth analysis of the design and evaluation of ten of the most popular planners across various scenarios. Our findings highlight the strides made in sampling-based methods while underscoring persistent challenges. This work offers an overview of the important ongoing research in robotic motion planning.
Large Language Models for Manufacturing
Li, Yiwei, Zhao, Huaqin, Jiang, Hanqi, Pan, Yi, Liu, Zhengliang, Wu, Zihao, Shu, Peng, Tian, Jie, Yang, Tianze, Xu, Shaochen, Lyu, Yanjun, Blenk, Parker, Pence, Jacob, Rupram, Jason, Banu, Eliza, Liu, Ninghao, Wang, Linbing, Song, Wenzhan, Zhai, Xiaoming, Song, Kenan, Zhu, Dajiang, Li, Beiwen, Wang, Xianqiao, Liu, Tianming
The rapid advances in Large Language Models (LLMs) have the potential to transform manufacturing industry, offering new opportunities to optimize processes, improve efficiency, and drive innovation. This paper provides a comprehensive exploration of the integration of LLMs into the manufacturing domain, focusing on their potential to automate and enhance various aspects of manufacturing, from product design and development to quality control, supply chain optimization, and talent management. Through extensive evaluations across multiple manufacturing tasks, we demonstrate the remarkable capabilities of state-of-the-art LLMs, such as GPT-4V, in understanding and executing complex instructions, extracting valuable insights from vast amounts of data, and facilitating knowledge sharing. We also delve into the transformative potential of LLMs in reshaping manufacturing education, automating coding processes, enhancing robot control systems, and enabling the creation of immersive, data-rich virtual environments through the industrial metaverse. By highlighting the practical applications and emerging use cases of LLMs in manufacturing, this paper aims to provide a valuable resource for professionals, researchers, and decision-makers seeking to harness the power of these technologies to address real-world challenges, drive operational excellence, and unlock sustainable growth in an increasingly competitive landscape.
CaloChallenge 2022: A Community Challenge for Fast Calorimeter Simulation
Krause, Claudius, Giannelli, Michele Faucci, Kasieczka, Gregor, Nachman, Benjamin, Salamani, Dalila, Shih, David, Zaborowska, Anna, Amram, Oz, Borras, Kerstin, Buckley, Matthew R., Buhmann, Erik, Buss, Thorsten, Cardoso, Renato Paulo Da Costa, Caterini, Anthony L., Chernyavskaya, Nadezda, Corchia, Federico A. G., Cresswell, Jesse C., Diefenbacher, Sascha, Dreyer, Etienne, Ekambaram, Vijay, Eren, Engin, Ernst, Florian, Favaro, Luigi, Franchini, Matteo, Gaede, Frank, Gross, Eilam, Hsu, Shih-Chieh, Jaruskova, Kristina, Kรคch, Benno, Kalagnanam, Jayant, Kansal, Raghav, Kim, Taewoo, Kobylianskii, Dmitrii, Korol, Anatolii, Korcari, William, Krรผcker, Dirk, Krรผger, Katja, Letizia, Marco, Li, Shu, Liu, Qibin, Liu, Xiulong, Loaiza-Ganem, Gabriel, Madula, Thandikire, McKeown, Peter, Melzer-Pellmann, Isabell-A., Mikuni, Vinicius, Nguyen, Nam, Ore, Ayodele, Schweitzer, Sofia Palacios, Pang, Ian, Pedro, Kevin, Plehn, Tilman, Pokorski, Witold, Qu, Huilin, Raikwar, Piyush, Raine, John A., Reyes-Gonzalez, Humberto, Rinaldi, Lorenzo, Ross, Brendan Leigh, Scham, Moritz A. W., Schnake, Simon, Shimmin, Chase, Shlizerman, Eli, Soybelman, Nathalie, Srivatsa, Mudhakar, Tsolaki, Kalliopi, Vallecorsa, Sofia, Yeo, Kyongmin, Zhang, Rui
We present the results of the "Fast Calorimeter Simulation Challenge 2022" -- the CaloChallenge. We study state-of-the-art generative models on four calorimeter shower datasets of increasing dimensionality, ranging from a few hundred voxels to a few tens of thousand voxels. The 31 individual submissions span a wide range of current popular generative architectures, including Variational AutoEncoders (VAEs), Generative Adversarial Networks (GANs), Normalizing Flows, Diffusion models, and models based on Conditional Flow Matching. We compare all submissions in terms of quality of generated calorimeter showers, as well as shower generation time and model size. To assess the quality we use a broad range of different metrics including differences in 1-dimensional histograms of observables, KPD/FPD scores, AUCs of binary classifiers, and the log-posterior of a multiclass classifier. The results of the CaloChallenge provide the most complete and comprehensive survey of cutting-edge approaches to calorimeter fast simulation to date. In addition, our work provides a uniquely detailed perspective on the important problem of how to evaluate generative models. As such, the results presented here should be applicable for other domains that use generative AI and require fast and faithful generation of samples in a large phase space.
Molecular Dynamics and Machine Learning Unlock Possibilities in Beauty Design -- A Perspective
Xu, Yuzhi, Ni, Haowei, Gao, Qinhui, Chang, Chia-Hua, Huo, Yanran, Zhao, Fanyu, Hu, Shiyu, Xia, Wei, Zhang, Yike, Grovu, Radu, He, Min, Zhang, John. Z. H., Wang, Yuanqing
Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to create valuable new molecular entities, from small molecule therapeutics to protein biologics. In the small data regime, physics-based approaches model the interaction between the molecule being designed and proteins of key physiological functions, providing structural insights into the mechanism. When abundant data has been collected, a quantitative structure-activity relationship (QSAR) can be more directly constructed from experimental data, from which machine learning can distill key insights to guide the design of the next round of experiment design. Machine learning methodologies can also facilitate physical modeling, from improving the accuracy of force fields and extending them to unseen chemical spaces, to more directly enhancing the sampling on the conformational spaces. We argue that these techniques are mature enough to be applied to not just extend the longevity of life, but the beauty it manifests. In this perspective, we review the current frontiers in the research \& development of skin care products, as well as the statistical and physical toolbox applicable to addressing the challenges in this industry. Feasible interdisciplinary research projects are proposed to harness the power of machine learning tools to design innovative, effective, and inexpensive skin care products.
Reducing the Scope of Language Models with Circuit Breakers
Yunis, David, Huo, Siyu, Gunasekara, Chulaka, Contractor, Danish
Language models are now deployed in a wide variety of user-facing applications, often for specific purposes like answering questions about documentation or acting as coding assistants. As these models are intended for particular purposes, they should not be able to answer irrelevant queries like requests for poetry or questions about physics, or even worse, queries that can only be answered by humans like sensitive company policies. Instead we would like them to only answer queries corresponding to desired behavior and refuse all other requests, which we refer to as scoping. We find that, despite the use of system prompts, two representative language models can be poorly scoped and respond to queries they should not be addressing. We then conduct a comprehensive empirical evaluation of methods which could be used for scoping the behavior of language models. Among many other results, we show that a recently-proposed method for general alignment, Circuit Breakers (CB), can be adapted to scope language models to very specific tasks like sentiment analysis or summarization or even tasks with finer-grained scoping (e.g. When compared to standard methods like fine-tuning or preference learning, CB is more robust both for out of distribution tasks, and to adversarial prompting techniques. We also show that layering SFT and CB together often results in the best of both worlds: improved performance only on relevant queries, while rejecting irrelevant ones. In the past few years Large Language Models have exploded into the popular conscience. One major recent addition is the "alignment" process through Reinforcement Learning with Human Feedback (RLHF) (Christiano et al., 2017; Ouyang et al., 2022), which has made the current generation of language models much less likely to emit toxic content than previous generations (Wolf et al., 2017), and thus much more acceptable for general use. As a result, many businesses and individuals feel more comfortable using these technologies than they would be in the past. As a result, we have generally capable language models which refuse to answer toxic or dangerous queries, but it is still difficult to deploy these language models. Even though they may not emit toxic content as often, they still will happily answer any question, irrelevant or not. This becomes a problem when we wish to deploy language models as products in specific contexts: e.g. While language models have general language capability, there is still a need to scope them for specific uses. David Yunis is a PhD student at the Toyota Technological Institute at Chicago. Work was performed during an internship at IBM. Arrows indicate the direction of best performance.