Authors: M V Sai Prakash, Siddartha Reddy N, Ganesh Parab, Varun V, Vishal Vaddina, Saisubramaniam Gopalakrishnan
Molecular property prediction is a critical task in computational drug discovery. While recent advances in Graph Neural Networks (GNNs) and Transformers have shown to be effective and promising, they face the following limitations: Transformer self-attention does not explicitly consider the underlying molecule structure while GNN feature representation alone is not sufficient to capture granular and hidden interactions and characteristics that distinguish similar molecules. To address these limitations, we propose SYN- FUSION, a novel approach that synergistically combines pre-trained features from GNNs and Transformers. This approach provides a comprehensive molecular representation, capturing both the global molecule structure and the individual atom characteristics. Experimental results on MoleculeNet benchmarks demonstrate superior performance, surpassing previous models in 5 out of 7 classification datasets and 4 out of 6 regression datasets. The performance of SYN-FUSION has been compared with other Graph-Transformer models that have been jointly trained using a combination of transformer and graph features, and it is found that our approach is on par with those models in terms of performance. Extensive analysis of the learned fusion model across aspects such as loss, latent space, and weight distribution further validates the effectiveness of SYN-FUSION. Finally, an ablation study unequivocally demonstrates that the synergy achieved by SYN-FUSION surpasses the performance of its individual model components and their ensemble, offering a substantial improvement in predicting molecular properties.
Authors: Ronen Taub, Yonatan Savir
Machine learning, and representation learning in particular, has the potential to facilitate drug discovery by screening a large chemical space in silico. A successful approach for representing molecules is to treat them as a graph and utilize graph neural networks. One of the key limitations of such methods is the necessity to represent compounds with different numbers of atoms, which requires aggregating the atom's information. Common aggregation operators, such as averaging, result in loss of information at the atom level. In this work, we propose a novel aggregating approach where each atom is weighted non-linearly using the Boltzmann distribution with a hyperparameter analogous to temperature. We show that using this weighted aggregation improves the ability of the gold standard message-passing neural network to predict antibiotic activity. Moreover, by changing the temperature hyperparameter, our approach can reveal the atoms that are important for activity prediction in a smooth and consistent way, thus providing a novel, regulated attention mechanism for graph neural networks. We further validate our method by showing that it recapitulates the functional group in beta-Lactam antibiotics. The ability of our approach to rank the atoms' importance for a desired function can be used within any graph neural network to provide interpretability of the results and predictions at the node level.
Authors: Stefanie Urchs, Veronika Thurner, Matthias Aßenmacher, Christian Heumann, Stephanie Thiemichen
With the introduction of ChatGPT, OpenAI made large language models (LLM) accessible to users with limited IT expertise. However, users with no background in natural language processing (NLP) might lack a proper understanding of LLMs. Thus the awareness of their inherent limitations, and therefore will take the systems' output at face value. In this paper, we systematically analyse prompts and the generated responses to identify possible problematic issues with a special focus on gender biases, which users need to be aware of when processing the system's output. We explore how ChatGPT reacts in English and German if prompted to answer from a female, male, or neutral perspective. In an in-depth investigation, we examine selected prompts and analyse to what extent responses differ if the system is prompted several times in an identical way. On this basis, we show that ChatGPT is indeed useful for helping non-IT users draft texts for their daily work. However, it is absolutely crucial to thoroughly check the system's responses for biases as well as for syntactic and grammatical mistakes.
Authors: Andreea Postovan, Mădălina Eraşcu
Traffic signs play a critical role in road safety and traffic management for autonomous driving systems. Accurate traffic sign classification is essential but challenging due to real-world complexities like adversarial examples and occlusions. To address these issues, binary neural networks offer promise in constructing classifiers suitable for resource-constrained devices.
In our previous work, we proposed high-accuracy BNN models for traffic sign recognition, focusing on compact size for limited computation and energy resources. To evaluate their local robustness, this paper introduces a set of benchmark problems featuring layers that challenge state-of-the-art verification tools. These layers include binarized convolutions, max pooling, batch normalization, fully connected. The difficulty of the verification problem is given by the high number of network parameters (905k - 1.7 M), of the input dimension (2.7k-12k), and of the number of regions (43) as well by the fact that the neural networks are not sparse.
The proposed BNN models and local robustness properties can be checked at https://github.com/ChristopherBrix/vnncomp2023_benchmarks/tree/main/benchmarks/traffic_signs_recognition.
The results of the 4th International Verification of Neural Networks Competition (VNN-COMP'23) revealed the fact that 4, out of 7, solvers can handle many of our benchmarks randomly selected (minimum is 6, maximum is 36, out of 45). Surprisingly, tools output also wrong results or missing counterexample (ranging from 1 to 4). Currently, our focus lies in exploring the possibility of achieving a greater count of solved instances by extending the allotted time (previously set at 8 minutes). Furthermore, we are intrigued by the reasons behind the erroneous outcomes provided by the tools for certain benchmarks.
Authors: Wenjie Liu, Bosi Wang, Jihao Fan, Yebo Ge, Mohammed Zidan
Traditional quantum system control methods often face different constraints, and are easy to cause both leakage and stochastic control errors under the condition of limited resources. Reinforcement learning has been proved as an efficient way to complete the quantum system control task. To learn a satisfactory control strategy under the condition of limited resources, a quantum system control method based on enhanced reinforcement learning (QSC-ERL) is proposed. The states and actions in reinforcement learning are mapped to quantum states and control operations in quantum systems. By using new enhanced neural networks, reinforcement learning can quickly achieve the maximization of long-term cumulative rewards, and a quantum state can be evolved accurately from an initial state to a target state. According to the number of candidate unitary operations, the three-switch control is used for simulation experiments. Compared with other methods, the QSC-ERL achieves close to 1 fidelity learning control of quantum systems, and takes fewer episodes to quantum state evolution under the condition of limited resources.
Authors: Jianghong Zhou, Joyce C. Ho, Chen Lin, Eugene Agichtein
Interactive search can provide a better experience by incorporating interaction feedback from the users. This can significantly improve search accuracy as it helps avoid irrelevant information and captures the users' search intents. Existing state-of-the-art (SOTA) systems use reinforcement learning (RL) models to incorporate the interactions but focus on item-level feedback, ignoring the fine-grained information found in sentence-level feedback. Yet such feedback requires extensive RL action space exploration and large amounts of annotated data. This work addresses these challenges by proposing a new deep Q-learning (DQ) approach, DQrank. DQrank adapts BERT-based models, the SOTA in natural language processing, to select crucial sentences based on users' engagement and rank the items to obtain more satisfactory responses. We also propose two mechanisms to better explore optimal actions. DQrank further utilizes the experience replay mechanism in DQ to store the feedback sentences to obtain a better initial ranking performance. We validate the effectiveness of DQrank on three search datasets. The results show that DQRank performs at least 12% better than the previous SOTA RL approaches. We also conduct detailed ablation studies. The ablation results demonstrate that each model component can efficiently extract and accumulate long-term engagement effects from the users' sentence-level feedback. This structure offers new technologies with promised performance to construct a search system with sentence-level interaction.
Authors: Jieyu Zhang, Ranjay Krishna, Ahmed H. Awadallah, Chi Wang
Today, users ask Large language models (LLMs) as assistants to answer queries that require external knowledge; they ask about the weather in a specific city, about stock prices, and even about where specific locations are within their neighborhood. These queries require the LLM to produce code that invokes external APIs to answer the user's question, yet LLMs rarely produce correct code on the first try, requiring iterative code refinement upon execution results. In addition, using LLM assistants to support high query volumes can be expensive. In this work, we contribute a framework, EcoAssistant, that enables LLMs to answer code-driven queries more affordably and accurately. EcoAssistant contains three components. First, it allows the LLM assistants to converse with an automatic code executor to iteratively refine code or to produce answers based on the execution results. Second, we use a hierarchy of LLM assistants, which attempts to answer the query with weaker, cheaper LLMs before backing off to stronger, expensive ones. Third, we retrieve solutions from past successful queries as in-context demonstrations to help subsequent queries. Empirically, we show that EcoAssistant offers distinct advantages for affordability and accuracy, surpassing GPT-4 by 10 points of success rate with less than 50% of GPT-4's cost.
Authors: Pei Zhou, Aman Madaan, Srividya Pranavi Potharaju, Aditya Gupta, Kevin R. McKee, Ari Holtzman, Jay Pujara, Xiang Ren, Swaroop Mishra, Aida Nematzadeh, Shyam Upadhyay, Manaal Faruqui
"Thinking is for Doing." Humans can infer other people's mental states from observations--an ability called Theory-of-Mind (ToM)--and subsequently act pragmatically on those inferences. Existing question answering benchmarks such as ToMi ask models questions to make inferences about beliefs of characters in a story, but do not test whether models can then use these inferences to guide their actions. We propose a new evaluation paradigm for large language models (LLMs): Thinking for Doing (T4D), which requires models to connect inferences about others' mental states to actions in social scenarios. Experiments on T4D demonstrate that LLMs such as GPT-4 and PaLM 2 seemingly excel at tracking characters' beliefs in stories, but they struggle to translate this capability into strategic action. Our analysis reveals the core challenge for LLMs lies in identifying the implicit inferences about mental states without being explicitly asked about as in ToMi, that lead to choosing the correct action in T4D. To bridge this gap, we introduce a zero-shot prompting framework, Foresee and Reflect (FaR), which provides a reasoning structure that encourages LLMs to anticipate future challenges and reason about potential actions. FaR boosts GPT-4's performance from 50% to 71% on T4D, outperforming other prompting methods such as Chain-of-Thought and Self-Ask. Moreover, FaR generalizes to diverse out-of-distribution story structures and scenarios that also require ToM inferences to choose an action, consistently outperforming other methods including few-shot in-context learning.
Authors: Sangjun Park, JinYeong Bak
Transformers have demonstrated their success in various domains and tasks. However, Transformers struggle with long input sequences due to their limited capacity. While one solution is to increase input length, endlessly stretching the length is unrealistic. Furthermore, humans selectively remember and use only relevant information from inputs, unlike Transformers which process all raw data from start to end. We introduce Memoria, a general memory network that applies Hebbian theory which is a major theory explaining human memory formulation to enhance long-term dependencies in neural networks. Memoria stores and retrieves information called engram at multiple memory levels of working memory, short-term memory, and long-term memory, using connection weights that change according to Hebb's rule. Through experiments with popular Transformer-based models like BERT and GPT, we present that Memoria significantly improves the ability to consider long-term dependencies in various tasks. Results show that Memoria outperformed existing methodologies in sorting and language modeling, and long text classification.
Authors: Ruturaj Reddy, Utkarsh Gupta, Ishaan Kale, Apoorva Shastri, Anand J Kulkarni
A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.
Authors: Ivan Tang, Eric Zhang, Ray Gu
The popularity of pre-trained large models has revolutionized downstream tasks across diverse fields, such as language, vision, and multi-modality. To minimize the adaption cost for downstream tasks, many Parameter-Efficient Fine-Tuning (PEFT) techniques are proposed for language and 2D image pre-trained models. However, the specialized PEFT method for 3D pre-trained models is still under-explored. To this end, we introduce Point-PEFT, a novel framework for adapting point cloud pre-trained models with minimal learnable parameters. Specifically, for a pre-trained 3D model, we freeze most of its parameters, and only tune the newly added PEFT modules on downstream tasks, which consist of a Point-prior Prompt and a Geometry-aware Adapter. The Point-prior Prompt adopts a set of learnable prompt tokens, for which we propose to construct a memory bank with domain-specific knowledge, and utilize a parameter-free attention to enhance the prompt tokens. The Geometry-aware Adapter aims to aggregate point cloud features within spatial neighborhoods to capture fine-grained geometric information through local interactions. Extensive experiments indicate that our Point-PEFT can achieve better performance than the full fine-tuning on various downstream tasks, while using only 5% of the trainable parameters, demonstrating the efficiency and effectiveness of our approach. Code will be released at https://github.com/EvenJoker/Point-PEFT.
Authors: Deniz Bayazit, Negar Foroutan, Zeming Chen, Gail Weiss, Antoine Bosselut
Pretrained language models (LMs) encode implicit representations of knowledge in their parameters. However, localizing these representations and disentangling them from each other remains an open problem. In this work, we investigate whether pretrained language models contain various knowledge-critical subnetworks: particular sparse computational subgraphs responsible for encoding specific knowledge the model has memorized. We propose a multi-objective differentiable weight masking scheme to discover these subnetworks and show that we can use them to precisely remove specific knowledge from models while minimizing adverse effects on the behavior of the original language model. We demonstrate our method on multiple GPT2 variants, uncovering highly sparse subnetworks (98%+) that are solely responsible for specific collections of relational knowledge. When these subnetworks are removed, the remaining network maintains most of its initial capacity (modeling language and other memorized relational knowledge) but struggles to express the removed knowledge, and suffers performance drops on examples needing this removed knowledge on downstream tasks after finetuning.
Authors: Suresh Kumar, Dhanyashri Guruparan, Pavithren Aaron, Philemon Telajan, Kavinesh Mahadevan, Dinesh Davagandhi, Ong Xin Yue
Deep learning has become a powerful tool in computational biology, revolutionising the analysis and interpretation of biological data over time. In our article review, we delve into various aspects of deep learning in computational biology. Specifically, we examine its history, advantages, and challenges. Our focus is on two primary applications: DNA sequence classification and prediction, as well as protein structure prediction from sequence data. Additionally, we provide insights into the outlook for this field. To fully harness the potential of deep learning in computational biology, it is crucial to address the challenges that come with it. These challenges include the requirement for large, labelled datasets and the interpretability of deep learning models. The use of deep learning in the analysis of DNA sequences has brought about a significant transformation in the detection of genomic variants and the analysis of gene expression. This has greatly contributed to the advancement of personalised medicine and drug discovery. Convolutional neural networks (CNNs) have been shown to be highly accurate in predicting genetic variations and gene expression levels. Deep learning techniques are used for analysing epigenetic data, including DNA methylation and histone modifications. This provides valuable insights into metabolic conditions and gene regulation. The field of protein structure prediction has been significantly impacted by deep learning, which has enabled accurate determination of the three-dimensional shape of proteins and prediction of their interactions. The future of deep learning in computational biology looks promising. With the development of advanced deep learning models and interpretation techniques, there is potential to overcome current challenges and further our understanding of biological systems.
Authors: Murong Yue, Jie Zhao, Min Zhang, Liang Du, Ziyu Yao
Large language models (LLMs) such as GPT-4 have exhibited remarkable performance in a variety of tasks, but this strong performance often comes with the high expense of using paid API services. In this paper, we are motivated to study building an LLM cascade to save the cost of using LLMs, particularly for performing reasoning (e.g., mathematical, causal) tasks. Our cascade pipeline follows the intuition that simpler questions can be addressed by a weaker but more affordable LLM, whereas only the challenging questions necessitate the stronger and more expensive LLM. To realize this decision-making, we consider the "answer consistency" of the weaker LLM as a signal of the question difficulty and propose several methods for the answer sampling and consistency checking, including one leveraging a mixture of two thought representations (i.e., Chain-of-Thought and Program-of-Thought). Through experiments on six reasoning benchmark datasets, with GPT-3.5-turbo and GPT-4 being the weaker and stronger LLMs, respectively, we demonstrate that our proposed LLM cascades can achieve performance comparable to using solely the stronger LLM but require only 40% of its cost.
Authors: Zihao Lin, Yan Sun, Yifan Shi, Xueqian Wang, Lifu Huang, Li Shen, Dacheng Tao
With the blowout development of pre-trained models (PTMs), the efficient tuning of these models for diverse downstream applications has emerged as a pivotal research concern. Although recent investigations into prompt tuning have provided promising avenues, three salient challenges persist: (1) memory constraint: the continuous growth in the size of open-source PTMs renders fine-tuning, even a fraction of their parameters, challenging for many practitioners. (2) model privacy: existing PTMs often function as public API services, with their parameters inaccessible for effective or tailored fine-tuning. (3) data privacy: the fine-tuning of PTMs necessitates high-quality datasets, which are typically localized and not shared to public. To optimally harness each local dataset while navigating memory constraints and preserving privacy, we propose Federated Black-Box Prompt Tuning (Fed-BBPT). This innovative approach eschews reliance on parameter architectures and private dataset access, instead capitalizing on a central server that aids local users in collaboratively training a prompt generator through regular aggregation. Local users leverage API-driven learning via a zero-order optimizer, obviating the need for PTM deployment. Relative to extensive fine-tuning, Fed-BBPT proficiently sidesteps memory challenges tied to PTM storage and fine-tuning on local machines, tapping into comprehensive, high-quality, yet private training datasets. A thorough evaluation across 40 datasets spanning CV and NLP tasks underscores the robustness of our proposed model.
Authors: Gagan Biradar, Yacine Izza, Elita Lobo, Vignesh Viswanathan, Yair Zick
The recent criticisms of the robustness of post hoc model approximation explanation methods (like LIME and SHAP) have led to the rise of model-precise abductive explanations. For each data point, abductive explanations provide a minimal subset of features that are sufficient to generate the outcome. While theoretically sound and rigorous, abductive explanations suffer from a major issue -- there can be several valid abductive explanations for the same data point. In such cases, providing a single abductive explanation can be insufficient; on the other hand, providing all valid abductive explanations can be incomprehensible due to their size. In this work, we solve this issue by aggregating the many possible abductive explanations into feature importance scores. We propose three aggregation methods: two based on power indices from cooperative game theory and a third based on a well-known measure of causal strength. We characterize these three methods axiomatically, showing that each of them uniquely satisfies a set of desirable properties. We also evaluate them on multiple datasets and show that these explanations are robust to the attacks that fool SHAP and LIME.
Authors: Nicholas Konz, Charles Godfrey, Madelyn Shapiro, Jonathan Tu, Henry Kvinge, Davis Brown
By now there is substantial evidence that deep learning models learn certain human-interpretable features as part of their internal representations of data. As having the right (or wrong) concepts is critical to trustworthy machine learning systems, it is natural to ask which inputs from the model's original training set were most important for learning a concept at a given layer. To answer this, we combine data attribution methods with methods for probing the concepts learned by a model. Training network and probe ensembles for two concept datasets on a range of network layers, we use the recently developed TRAK method for large-scale data attribution. We find some evidence for convergence, where removing the 10,000 top attributing images for a concept and retraining the model does not change the location of the concept in the network nor the probing sparsity of the concept. This suggests that rather than being highly dependent on a few specific examples, the features that inform the development of a concept are spread in a more diffuse manner across its exemplars, implying robustness in concept formation.
Authors: Jiri Navratil, Benjamin Elder, Matthew Arnold, Soumya Ghosh, Prasanna Sattigeri
Accurate quantification of model uncertainty has long been recognized as a fundamental requirement for trusted AI. In regression tasks, uncertainty is typically quantified using prediction intervals calibrated to an ad-hoc operating point, making evaluation and comparison across different studies relatively difficult. Our work leverages: (1) the concept of operating characteristics curves and (2) the notion of a gain over a null reference, to derive a novel operating point agnostic assessment methodology for prediction intervals. The paper defines the Uncertainty Characteristics Curve and demonstrates its utility in selected scenarios. We argue that the proposed method addresses the current need for comprehensive assessment of prediction intervals and thus represents a valuable addition to the uncertainty quantification toolbox.
Authors: Victor Vadakechirayath George
Inspired by recent developments in attention models for image classification and natural language processing, we present various Attention based architectures in reinforcement learning (RL) domain, capable of performing well on OpenAI Gym Atari-2600 game suite. In spite of the recent success of Deep Reinforcement learning techniques in various fields like robotics, gaming and healthcare, they suffer from a major drawback that neural networks are difficult to interpret. We try to get around this problem with the help of Attention based models. In Attention based models, extracting and overlaying of attention map onto images allows for direct observation of information used by agent to select actions and easier interpretation of logic behind the chosen actions. Our models in addition to playing well on gym-Atari environments, also provide insights on how agent perceives its environment. In addition, motivated by recent developments in attention based video-classification models using Vision Transformer, we come up with an architecture based on Vision Transformer, for image-based RL domain too. Compared to previous works in Vision Transformer, our model is faster to train and requires fewer computational resources. 3
Authors: Xiaohan Fu, Zihan Wang, Shuheng Li, Rajesh K. Gupta, Niloofar Mireshghallah, Taylor Berg-Kirkpatrick, Earlence Fernandes
Large Language Models (LLMs) are being enhanced with the ability to use tools and to process multiple modalities. These new capabilities bring new benefits and also new security risks. In this work, we show that an attacker can use visual adversarial examples to cause attacker-desired tool usage. For example, the attacker could cause a victim LLM to delete calendar events, leak private conversations and book hotels. Different from prior work, our attacks can affect the confidentiality and integrity of user resources connected to the LLM while being stealthy and generalizable to multiple input prompts. We construct these attacks using gradient-based adversarial training and characterize performance along multiple dimensions. We find that our adversarial images can manipulate the LLM to invoke tools following real-world syntax almost always (~98%) while maintaining high similarity to clean images (~0.9 SSIM). Furthermore, using human scoring and automated metrics, we find that the attacks do not noticeably affect the conversation (and its semantics) between the user and the LLM.
Authors: Rajkumar Vasudeva Raju, Zhe Li, Scott Linderman, Xaq Pitkow
Patterns of microcircuitry suggest that the brain has an array of repeated canonical computational units. Yet neural representations are distributed, so the relevant computations may only be related indirectly to single-neuron transformations. It thus remains an open challenge how to define canonical distributed computations. We integrate normative and algorithmic theories of neural computation into a mathematical framework for inferring canonical distributed computations from large-scale neural activity patterns. At the normative level, we hypothesize that the brain creates a structured internal model of its environment, positing latent causes that explain its sensory inputs, and uses those sensory inputs to infer the latent causes. At the algorithmic level, we propose that this inference process is a nonlinear message-passing algorithm on a graph-structured model of the world. Given a time series of neural activity during a perceptual inference task, our framework finds (i) the neural representation of relevant latent variables, (ii) interactions between these variables that define the brain's internal model of the world, and (iii) message-functions specifying the inference algorithm. These targeted computational properties are then statistically distinguishable due to the symmetries inherent in any canonical computation, up to a global transformation. As a demonstration, we simulate recordings for a model brain that implicitly implements an approximate inference algorithm on a probabilistic graphical model. Given its external inputs and noisy neural activity, we recover the latent variables, their neural representation and dynamics, and canonical message-functions. We highlight features of experimental design needed to successfully extract canonical computations from neural data. Overall, this framework provides a new tool for discovering interpretable structure in neural recordings.
Authors: Zhe Zhao, Qingyun Liu, Huan Gui, Bang An, Lichan Hong, Ed H. Chi
Many recent breakthroughs in machine learning have been enabled by the pre-trained foundation models. By scaling up model parameters, training data, and computation resources, foundation models have significantly advanced the state-of-the-art in many applications. However, it is still an open question of how to use these models to perform downstream tasks efficiently. Knowledge distillation (KD) has been explored to tackle this challenge. KD transfers knowledge from a large teacher model to a smaller student model. While KD has been successful in improving student model performance, recent research has discovered that a powerful teacher does not necessarily lead to a powerful student, due to their huge capacity gap. In addition, the potential distribution shifts between the pre-training data and downstream tasks can make knowledge transfer in KD sub-optimal for improving downstream task performance. In this paper, we extend KD with an interactive communication process to help students of downstream tasks learn effectively from pre-trained foundation models. Our design is inspired by the way humans learn from teachers who can explain knowledge in a way that meets the students' needs. Specifically, we let each model (i.e., student and teacher) train two components: (1) an encoder encoding the model's hidden states to a message and (2) a decoder decoding any messages to its own hidden states. With encoder and decoder, not only can the teacher transfer rich information by encoding its hidden states, but also the student can send messages with information of downstream tasks to the teacher. Therefore, knowledge passing from teacher to student can be tailored to the student's capacity and downstream tasks' distributions. We conducted experiments on benchmark datasets to show that our communication mechanism outperforms state-of-the-art distillation techniques.
Authors: Maziyar Khadivi, Todd Charter, Marjan Yaghoubi, Masoud Jalayer, Maryam Ahang, Ardeshir Shojaeinasab, Homayoun Najjaran
Machine scheduling aims to optimize job assignments to machines while adhering to manufacturing rules and job specifications. This optimization leads to reduced operational costs, improved customer demand fulfillment, and enhanced production efficiency. However, machine scheduling remains a challenging combinatorial problem due to its NP-hard nature. Deep Reinforcement Learning (DRL), a key component of artificial general intelligence, has shown promise in various domains like gaming and robotics. Researchers have explored applying DRL to machine scheduling problems since 1995. This paper offers a comprehensive review and comparison of DRL-based approaches, highlighting their methodology, applications, advantages, and limitations. It categorizes these approaches based on computational components: conventional neural networks, encoder-decoder architectures, graph neural networks, and metaheuristic algorithms. Our review concludes that DRL-based methods outperform exact solvers, heuristics, and tabular reinforcement learning algorithms in terms of computation speed and generating near-global optimal solutions. These DRL-based approaches have been successfully applied to static and dynamic scheduling across diverse machine environments and job characteristics. However, DRL-based schedulers face limitations in handling complex operational constraints, configurable multi-objective optimization, generalization, scalability, interpretability, and robustness. Addressing these challenges will be a crucial focus for future research in this field. This paper serves as a valuable resource for researchers to assess the current state of DRL-based machine scheduling and identify research gaps. It also aids experts and practitioners in selecting the appropriate DRL approach for production scheduling.
Authors: Kim Youwang, Lee Hyun, Kim Sung-Bin, Suekyeong Nam, Janghoon Ju, Tae-Hyun Oh
We propose NeuFace, a 3D face mesh pseudo annotation method on videos via neural re-parameterized optimization. Despite the huge progress in 3D face reconstruction methods, generating reliable 3D face labels for in-the-wild dynamic videos remains challenging. Using NeuFace optimization, we annotate the per-view/-frame accurate and consistent face meshes on large-scale face videos, called the NeuFace-dataset. We investigate how neural re-parameterization helps to reconstruct image-aligned facial details on 3D meshes via gradient analysis. By exploiting the naturalness and diversity of 3D faces in our dataset, we demonstrate the usefulness of our dataset for 3D face-related tasks: improving the reconstruction accuracy of an existing 3D face reconstruction model and learning 3D facial motion prior. Code and datasets will be available at https://neuface-dataset.github.
Authors: Utsav Garg, Erhan Bas
Instruction-tuned large language models (LLMs) have demonstrated promising zero-shot generalization capabilities across various downstream tasks. Recent research has introduced multimodal capabilities to LLMs by integrating independently pretrained vision encoders through model grafting. These multimodal variants undergo instruction tuning, similar to LLMs, enabling effective zero-shot generalization for multimodal tasks. This study conducts a comparative analysis of different multimodal instruction tuning approaches and evaluates their performance across a range of tasks, including complex reasoning, conversation, image captioning, multiple-choice questions (MCQs), and binary classification. Through rigorous benchmarking and ablation experiments, we reveal key insights for guiding architectural choices when incorporating multimodal capabilities into LLMs. However, current approaches have limitations; they do not sufficiently address the need for a diverse multimodal instruction dataset, which is crucial for enhancing task generalization. Additionally, they overlook issues related to truthfulness and factuality when generating responses. These findings illuminate current methodological constraints in adapting language models for image comprehension and provide valuable guidance for researchers and practitioners seeking to harness multimodal versions of LLMs.
Authors: Peiyu Yu, Yaxuan Zhu, Sirui Xie, Xiaojian Ma, Ruiqi Gao, Song-Chun Zhu, Ying Nian Wu
Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in the field of generative modeling due to its flexibility in the formulation and strong modeling power of the latent space. However, the common practice of learning latent space EBMs with non-convergent short-run MCMC for prior and posterior sampling is hindering the model from further progress; the degenerate MCMC sampling quality in practice often leads to degraded generation quality and instability in training, especially with highly multi-modal and/or high-dimensional target distributions. To remedy this sampling issue, in this paper we introduce a simple but effective diffusion-based amortization method for long-run MCMC sampling and develop a novel learning algorithm for the latent space EBM based on it. We provide theoretical evidence that the learned amortization of MCMC is a valid long-run MCMC sampler. Experiments on several image modeling benchmark datasets demonstrate the superior performance of our method compared with strong counterparts
Authors: Akifumi Wachi, Wataru Hashimoto, Xun Shen, Kazumune Hashimoto
Safe exploration is essential for the practical use of reinforcement learning (RL) in many real-world scenarios. In this paper, we present a generalized safe exploration (GSE) problem as a unified formulation of common safe exploration problems. We then propose a solution of the GSE problem in the form of a meta-algorithm for safe exploration, MASE, which combines an unconstrained RL algorithm with an uncertainty quantifier to guarantee safety in the current episode while properly penalizing unsafe explorations before actual safety violation to discourage them in future episodes. The advantage of MASE is that we can optimize a policy while guaranteeing with a high probability that no safety constraint will be violated under proper assumptions. Specifically, we present two variants of MASE with different constructions of the uncertainty quantifier: one based on generalized linear models with theoretical guarantees of safety and near-optimality, and another that combines a Gaussian process to ensure safety with a deep RL algorithm to maximize the reward. Finally, we demonstrate that our proposed algorithm achieves better performance than state-of-the-art algorithms on grid-world and Safety Gym benchmarks without violating any safety constraints, even during training.
Authors: Xinyang Ren, Hannah A Burkhardt, Patricia A Areán, Thomas D Hull, Trevor Cohen
Prior work has shown that analyzing the use of first-person singular pronouns can provide insight into individuals' mental status, especially depression symptom severity. These findings were generated by counting frequencies of first-person singular pronouns in text data. However, counting doesn't capture how these pronouns are used. Recent advances in neural language modeling have leveraged methods generating contextual embeddings. In this study, we sought to utilize the embeddings of first-person pronouns obtained from contextualized language representation models to capture ways these pronouns are used, to analyze mental status. De-identified text messages sent during online psychotherapy with weekly assessment of depression severity were used for evaluation. Results indicate the advantage of contextualized first-person pronoun embeddings over standard classification token embeddings and frequency-based pronoun analysis results in predicting depression symptom severity. This suggests contextual representations of first-person pronouns can enhance the predictive utility of language used by people with depression symptoms.
Authors: Quanqi Hu, Dixian Zhu, Tianbao Yang
This paper investigates new families of compositional optimization problems, called $\underline{\bf n}$on-$\underline{\bf s}$mooth $\underline{\bf w}$eakly-$\underline{\bf c}$onvex $\underline{\bf f}$inite-sum $\underline{\bf c}$oupled $\underline{\bf c}$ompositional $\underline{\bf o}$ptimization (NSWC FCCO). There has been a growing interest in FCCO due to its wide-ranging applications in machine learning and AI, as well as its ability to address the shortcomings of stochastic algorithms based on empirical risk minimization. However, current research on FCCO presumes that both the inner and outer functions are smooth, limiting their potential to tackle a more diverse set of problems. Our research expands on this area by examining non-smooth weakly-convex FCCO, where the outer function is weakly convex and non-decreasing, and the inner function is weakly-convex. We analyze a single-loop algorithm and establish its complexity for finding an $\epsilon$-stationary point of the Moreau envelop of the objective function. Additionally, we also extend the algorithm to solving novel non-smooth weakly-convex tri-level finite-sum coupled compositional optimization problems, which feature a nested arrangement of three functions. Lastly, we explore the applications of our algorithms in deep learning for two-way partial AUC maximization and multi-instance two-way partial AUC maximization, using empirical studies to showcase the effectiveness of the proposed algorithms.
Authors: Mingxuan Zhang, Yan Sun, Faming Liang
Sparse deep learning has become a popular technique for improving the performance of deep neural networks in areas such as uncertainty quantification, variable selection, and large-scale network compression. However, most existing research has focused on problems where the observations are independent and identically distributed (i.i.d.), and there has been little work on the problems where the observations are dependent, such as time series data and sequential data in natural language processing. This paper aims to address this gap by studying the theory for sparse deep learning with dependent data. We show that sparse recurrent neural networks (RNNs) can be consistently estimated, and their predictions are asymptotically normally distributed under appropriate assumptions, enabling the prediction uncertainty to be correctly quantified. Our numerical results show that sparse deep learning outperforms state-of-the-art methods, such as conformal predictions, in prediction uncertainty quantification for time series data. Furthermore, our results indicate that the proposed method can consistently identify the autoregressive order for time series data and outperform existing methods in large-scale model compression. Our proposed method has important practical implications in fields such as finance, healthcare, and energy, where both accurate point estimates and prediction uncertainty quantification are of concern.
Authors: Jiashu He, Charilaos I. Kanatsoulis, Alejandro Ribeiro
Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs and finds a plethora of applications in high-impact domains. However, this task is known to be NP-hard in its general form, and existing algorithms do not scale up as the size of the graphs increases. To tackle both challenges we propose a novel generalized graph autoencoder architecture, designed to extract powerful and robust node embeddings, that are tailored to the alignment task. We prove that the generated embeddings are associated with the eigenvalues and eigenvectors of the graphs and can achieve more accurate alignment compared to classical spectral methods. Our proposed framework also leverages transfer learning and data augmentation to achieve efficient network alignment at a very large scale without retraining. Extensive experiments on both network and sub-network alignment with real-world graphs provide corroborating evidence supporting the effectiveness and scalability of the proposed approach.
Authors: Yanyi Chu, Dan Yu, Yupeng Li, Kaixuan Huang, Yue Shen, Le Cong, Jason Zhang, Mengdi Wang
The 5' UTR, a regulatory region at the beginning of an mRNA molecule, plays a crucial role in regulating the translation process and impacts the protein expression level. Language models have showcased their effectiveness in decoding the functions of protein and genome sequences. Here, we introduced a language model for 5' UTR, which we refer to as the UTR-LM. The UTR-LM is pre-trained on endogenous 5' UTRs from multiple species and is further augmented with supervised information including secondary structure and minimum free energy. We fine-tuned the UTR-LM in a variety of downstream tasks. The model outperformed the best-known benchmark by up to 42% for predicting the Mean Ribosome Loading, and by up to 60% for predicting the Translation Efficiency and the mRNA Expression Level. The model also applies to identifying unannotated Internal Ribosome Entry Sites within the untranslated region and improves the AUPR from 0.37 to 0.52 compared to the best baseline. Further, we designed a library of 211 novel 5' UTRs with high predicted values of translation efficiency and evaluated them via a wet-lab assay. Experiment results confirmed that our top designs achieved a 32.5% increase in protein production level relative to well-established 5' UTR optimized for therapeutics.
Authors: Sakuna Harinda Jayasundara, Nalin Asanka Gamagedara Arachchilage, Giovanni Russello
Administrator-centered access control failures can cause data breaches, putting organizations at risk of financial loss and reputation damage. Existing graphical policy configuration tools and automated policy generation frameworks attempt to help administrators configure and generate access control policies by avoiding such failures. However, graphical policy configuration tools are prone to human errors, making them unusable. On the other hand, automated policy generation frameworks are prone to erroneous predictions, making them unreliable. Therefore, to find ways to improve their usability and reliability, we conducted a Systematic Literature Review analyzing 49 publications, to identify those tools, frameworks, and their limitations. Identifying those limitations will help develop effective access control policy generation solutions while avoiding access control failures.
Authors: Dacheng Li, Rulin Shao, Anze Xie, Eric P. Xing, Joseph E. Gonzalez, Ion Stoica, Xuezhe Ma, Hao Zhang
Increasing the context length of large language models (LLMs) unlocks fundamentally new capabilities, but also significantly increases the memory footprints of training. Previous model-parallel systems such as Megatron-LM partition and compute different attention heads in parallel, resulting in large communication volumes, so they cannot scale beyond the number of attention heads, thereby hindering its adoption. In this paper, we introduce a new approach, LightSeq, for long-context LLMs training. LightSeq has many notable advantages. First, LightSeq partitions over the sequence dimension, hence is agnostic to model architectures and readily applicable for models with varying numbers of attention heads, such as Multi-Head, Multi-Query and Grouped-Query attention. Second, LightSeq not only requires up to 4.7x less communication than Megatron-LM on popular LLMs but also overlaps the communication with computation. To further reduce the training time, LightSeq features a novel gradient checkpointing scheme to bypass an forward computation for memory-efficient attention. We evaluate LightSeq on Llama-7B and its variants with sequence lengths from 32K to 512K. Through comprehensive experiments on single and cross-node training, we show that LightSeq achieves up to 1.24-2.01x end-to-end speedup, and a 2-8x longer sequence length on models with fewer heads, compared to Megatron-LM. Codes will be available at https://github.com/RulinShao/LightSeq.
Authors: Qian Huang, Jian Vora, Percy Liang, Jure Leskovec
Scientific experimentation involves an iterative process of creating hypotheses, designing experiments, running experiments, and analyzing the results. Can we build AI research agents to perform these long-horizon tasks? To take a step towards building and evaluating research agents on such open-ended decision-making tasks, we focus on the problem of machine learning engineering: given a task description and a dataset, build a high-performing model. In this paper, we propose MLAgentBench, a suite of ML tasks for benchmarking AI research agents. Agents can perform actions like reading/writing files, executing code, and inspecting outputs. With these actions, agents could run experiments, analyze the results, and modify the code of entire machine learning pipelines, such as data processing, architecture, training processes, etc. The benchmark then automatically evaluates the agent's performance objectively over various metrics related to performance and efficiency. We also design an LLM-based research agent to automatically perform experimentation loops in such an environment. Empirically, we find that a GPT-4-based research agent can feasibly build compelling ML models over many tasks in MLAgentBench, displaying highly interpretable plans and actions. However, the success rates vary considerably; they span from almost 90\% on well-established older datasets to as low as 10\% on recent Kaggle Challenges -- unavailable during the LLM model's pretraining -- and even 0\% on newer research challenges like BabyLM. Finally, we identify several key challenges for LLM-based research agents such as long-term planning and hallucination. Our code is released at https://github.com/snap-stanford/MLAgentBench.
Authors: Shaotian Yan, Chen Shen, Junjie Liu, Jieping Ye
Exploiting large language models (LLMs) to tackle deductive reasoning has garnered growing attention. It still remains highly challenging to achieve satisfactory results in complex deductive problems, characterized by plenty of premises (i.e., facts or rules) entailing intricate relationships among entities and requiring multi-hop reasoning. One intuitive solution is to decompose the original task into smaller sub-tasks, and then chain the multiple casual reasoning steps together in a forward (e.g., Selection-Inference) or backward (e.g., LAMBADA) direction. However, these techniques inevitably necessitate a large number of overall stages, leading to computationally expensive operations and a higher possibility of making misleading steps. In addition to stage-by-stage decomposition, we draw inspiration from another aspect of human problem-solving. Humans tend to distill the most relevant information and organize their thoughts systematically (e.g., creating mind maps), which assists them in answering questions or drawing conclusions precisely and quickly. In light of this, we propose a novel reasoning approach named Concise and Organized Perception (COP). COP carefully analyzes the given statements to efficiently identify the most pertinent information while eliminating redundancy. It then prompts the LLMs in a more organized form that adapts to the model's inference process. By perceiving concise and organized proofs, the deductive reasoning abilities of LLMs can be better elicited, and the risk of acquiring errors caused by excessive reasoning stages is mitigated. Furthermore, our approach can be combined with the aforementioned ones to further boost their performance. Extensive experimental results on three popular deductive benchmarks (i.e., ProofWriter, PrOntoQA and PrOntoQA-OOD) show that COP significantly outperforms previous state-of-the-art methods.
Authors: Aadi Kothari, Tony Tohme, Xiaotong Zhang, Kamal Youcef-Toumi
Human motion prediction is an essential step for efficient and safe human-robot collaboration. Current methods either purely rely on representing the human joints in some form of neural network-based architecture or use regression models offline to fit hyper-parameters in the hope of capturing a model encompassing human motion. While these methods provide good initial results, they are missing out on leveraging well-studied human body kinematic models as well as body and scene constraints which can help boost the efficacy of these prediction frameworks while also explicitly avoiding implausible human joint configurations. We propose a novel human motion prediction framework that incorporates human joint constraints and scene constraints in a Gaussian Process Regression (GPR) model to predict human motion over a set time horizon. This formulation is combined with an online context-aware constraints model to leverage task-dependent motions. It is tested on a human arm kinematic model and implemented on a human-robot collaborative setup with a UR5 robot arm to demonstrate the real-time capability of our approach. Simulations were also performed on datasets like HA4M and ANDY. The simulation and experimental results demonstrate considerable improvements in a Gaussian Process framework when these constraints are explicitly considered.
Authors: Yilue Qian, Peiyu Yu, Ying Nian Wu, Wei Wang, Lifeng Fan
Visual planning simulates how humans make decisions to achieve desired goals in the form of searching for visual causal transitions between an initial visual state and a final visual goal state. It has become increasingly important in egocentric vision with its advantages in guiding agents to perform daily tasks in complex environments. In this paper, we propose an interpretable and generalizable visual planning framework consisting of i) a novel Substitution-based Concept Learner (SCL) that abstracts visual inputs into disentangled concept representations, ii) symbol abstraction and reasoning that performs task planning via the self-learned symbols, and iii) a Visual Causal Transition model (ViCT) that grounds visual causal transitions to semantically similar real-world actions. Given an initial state, we perform goal-conditioned visual planning with a symbolic reasoning method fueled by the learned representations and causal transitions to reach the goal state. To verify the effectiveness of the proposed model, we collect a large-scale visual planning dataset based on AI2-THOR, dubbed as CCTP. Extensive experiments on this challenging dataset demonstrate the superior performance of our method in visual task planning. Empirically, we show that our framework can generalize to unseen task trajectories and unseen object categories.
Authors: David Huber, Yizuo Chen, Alessandro Antonucci, Adnan Darwiche, Marco Zaffalon
We discuss the problem of bounding partially identifiable queries, such as counterfactuals, in Pearlian structural causal models. A recently proposed iterated EM scheme yields an inner approximation of those bounds by sampling the initialisation parameters. Such a method requires multiple (Bayesian network) queries over models sharing the same structural equations and topology, but different exogenous probabilities. This setup makes a compilation of the underlying model to an arithmetic circuit advantageous, thus inducing a sizeable inferential speed-up. We show how a single symbolic knowledge compilation allows us to obtain the circuit structure with symbolic parameters to be replaced by their actual values when computing the different queries. We also discuss parallelisation techniques to further speed up the bound computation. Experiments against standard Bayesian network inference show clear computational advantages with up to an order of magnitude of speed-up.
Authors: Seungwoo Jeong, Wonsik Jung, Junghyo Sohn, Heung-Il Suk
Alzheimer's disease (AD) is a devastating neurodegenerative condition that precedes progressive and irreversible dementia; thus, predicting its progression over time is vital for clinical diagnosis and treatment. Numerous studies have implemented structural magnetic resonance imaging (MRI) to model AD progression, focusing on three integral aspects: (i) temporal variability, (ii) incomplete observations, and (iii) temporal geometric characteristics. However, deep learning-based approaches regarding data variability and sparsity have yet to consider inherent geometrical properties sufficiently. The ordinary differential equation-based geometric modeling method (ODE-RGRU) has recently emerged as a promising strategy for modeling time-series data by intertwining a recurrent neural network and an ODE in Riemannian space. Despite its achievements, ODE-RGRU encounters limitations when extrapolating positive definite symmetric metrics from incomplete samples, leading to feature reverse occurrences that are particularly problematic, especially within the clinical facet. Therefore, this study proposes a novel geometric learning approach that models longitudinal MRI biomarkers and cognitive scores by combining three modules: topological space shift, ODE-RGRU, and trajectory estimation. We have also developed a training algorithm that integrates manifold mapping with monotonicity constraints to reflect measurement transition irreversibility. We verify our proposed method's efficacy by predicting clinical labels and cognitive scores over time in regular and irregular settings. Furthermore, we thoroughly analyze our proposed framework through an ablation study.
Authors: Zelai Xu, Yancheng Liang, Chao Yu, Yu Wang, Yi Wu
Self-play (SP) is a popular multi-agent reinforcement learning (MARL) framework for solving competitive games, where each agent optimizes policy by treating others as part of the environment. Despite the empirical successes, the theoretical properties of SP-based methods are limited to two-player zero-sum games. However, for mixed cooperative-competitive games where agents on the same team need to cooperate with each other, we can show a simple counter-example where SP-based methods cannot converge to a global Nash equilibrium (NE) with high probability. Alternatively, Policy-Space Response Oracles (PSRO) is an iterative framework for learning NE, where the best responses w.r.t. previous policies are learned in each iteration. PSRO can be directly extended to mixed cooperative-competitive settings by jointly learning team best responses with all convergence properties unchanged. However, PSRO requires repeatedly training joint policies from scratch till convergence, which makes it hard to scale to complex games. In this work, we develop a novel algorithm, Fictitious Cross-Play (FXP), which inherits the benefits from both frameworks. FXP simultaneously trains an SP-based main policy and a counter population of best response policies. The main policy is trained by fictitious self-play and cross-play against the counter population, while the counter policies are trained as the best responses to the main policy's past versions. We validate our method in matrix games and show that FXP converges to global NEs while SP methods fail. We also conduct experiments in a gridworld domain, where FXP achieves higher Elo ratings and lower exploitabilities than baselines, and a more challenging football game, where FXP defeats SOTA models with over 94% win rate.
Authors: Nuoyan Zhou, Decheng Liu, Dawei Zhou, Xinbo Gao, Nannan Wang
Deep neural networks are vulnerable to adversarial noise. Adversarial training (AT) has been demonstrated to be the most effective defense strategy to protect neural networks from being fooled. However, we find AT omits to learning robust features, resulting in poor performance of adversarial robustness. To address this issue, we highlight two characteristics of robust representation: (1) $\bf{exclusion}$: the feature of natural examples keeps away from that of other classes; (2) $\bf{alignment}$: the feature of natural and corresponding adversarial examples is close to each other. These motivate us to propose a generic framework of AT to gain robust representation, by the asymmetric negative contrast and reverse attention. Specifically, we design an asymmetric negative contrast based on predicted probabilities, to push away examples of different classes in the feature space. Moreover, we propose to weight feature by parameters of the linear classifier as the reverse attention, to obtain class-aware feature and pull close the feature of the same class. Empirical evaluations on three benchmark datasets show our methods greatly advance the robustness of AT and achieve state-of-the-art performance. Code is available at <https://github.com/changzhang777/ANCRA>.
Authors: Hossein Jafari, Karim Faez, Hamidreza Amindavar
Lung cancer is highly lethal, emphasizing the critical need for early detection. However, identifying lung nodules poses significant challenges for radiologists, who rely heavily on their expertise and experience for accurate diagnosis. To address this issue, computer-aided diagnosis systems based on machine learning techniques have emerged to assist doctors in identifying lung nodules from computed tomography (CT) scans. Unfortunately, existing networks in this domain often suffer from computational complexity, leading to high rates of false negatives and false positives, limiting their effectiveness. To address these challenges, we present an innovative model that harnesses the strengths of both convolutional neural networks and vision transformers. Inspired by object detection in videos, we treat each 3D CT image as a video, individual slices as frames, and lung nodules as objects, enabling a time-series application. The primary objective of our work is to overcome hardware limitations during model training, allowing for efficient processing of 2D data while utilizing inter-slice information for accurate identification based on 3D image context. We validated the proposed network by applying a 10-fold cross-validation technique to the publicly available Lung Nodule Analysis 2016 dataset. Our proposed architecture achieves an average sensitivity criterion of 97.84% and a competition performance metrics (CPM) of 96.0% with few parameters. Comparative analysis with state-of-the-art advancements in lung nodule identification demonstrates the significant accuracy achieved by our proposed model.
Authors: Fabio Stroppa
Soft-growing robots are innovative devices that feature plant-inspired growth to navigate environments. Thanks to their embodied intelligence of adapting to their surroundings and the latest innovation in actuation and manufacturing, it is possible to employ them for specific manipulation tasks. The applications of these devices include exploration of delicate/dangerous environments, manipulation of items, or assistance in domestic environments.
This work presents a novel approach for design optimization of soft-growing robots, which will be used prior to manufacturing to suggest engineers -- or robot designer enthusiasts -- the optimal dimension of the robot to be built for solving a specific task. I modeled the design process as a multi-objective optimization problem, in which I optimize the kinematic chain of a soft manipulator to reach targets and avoid unnecessary overuse of material and resources. The method exploits the advantages of population-based optimization algorithms, in particular evolutionary algorithms, to transform the problem from multi-objective into a single-objective thanks to an efficient mathematical formulation, the novel rank-partitioning algorithm, and obstacle avoidance integrated within the optimizer operators.
I tested the proposed method on different tasks to access its optimality, which showed significant performance in solving the problem. Finally, comparative experiments showed that the proposed method works better than the one existing in the literature in terms of precision, resource consumption, and run time.
Authors: Anisa Rula, Jennifer D'Souza
Recent advancements in the field of Natural Language Processing, particularly the development of large-scale language models that are pretrained on vast amounts of knowledge, are creating novel opportunities within the realm of Knowledge Engineering. In this paper, we investigate the usage of large language models (LLMs) in both zero-shot and in-context learning settings to tackle the problem of extracting procedures from unstructured PDF text in an incremental question-answering fashion. In particular, we leverage the current state-of-the-art GPT-4 (Generative Pre-trained Transformer 4) model, accompanied by two variations of in-context learning that involve an ontology with definitions of procedures and steps and a limited number of samples of few-shot learning. The findings highlight both the promise of this approach and the value of the in-context learning customisations. These modifications have the potential to significantly address the challenge of obtaining sufficient training data, a hurdle often encountered in deep learning-based Natural Language Processing techniques for procedure extraction.
Authors: Tita A. Bach, Jenny K. Kristiansen, Aleksandar Babic, Alon Jacovi
Ensuring quality human-AI interaction (HAII) in safety-critical industries is essential. Failure to do so can lead to catastrophic and deadly consequences. Despite this urgency, what little research there is on HAII is fragmented and inconsistent. We present here a survey of that literature and recommendations for research best practices that will improve the field. We divided our investigation into the following research areas: (1) terms used to describe HAII, (2) primary roles of AI-enabled systems, (3) factors that influence HAII, and (4) how HAII is measured. Additionally, we described the capabilities and maturity of the AI-enabled systems used in safety-critical industries discussed in these articles. We found that no single term is used across the literature to describe HAII and some terms have multiple meanings. According to our literature, five factors influence HAII: user characteristics and background (e.g., user personality, perceptions), AI interface and features (e.g., interactive UI design), AI output (e.g., accuracy, actionable recommendations), explainability and interpretability (e.g., level of detail, user understanding), and usage of AI (e.g., heterogeneity of environments and user needs). HAII is most commonly measured with user-related subjective metrics (e.g., user perception, trust, and attitudes), and AI-assisted decision-making is the most common primary role of AI-enabled systems. Based on this review, we conclude that there are substantial research gaps in HAII. Researchers and developers need to codify HAII terminology, involve users throughout the AI lifecycle (especially during development), and tailor HAII in safety-critical industries to the users and environments.
Authors: Taraneh Younesian, Thiviyan Thanapalasingam, Emile van Krieken, Daniel Daza, Peter Bloem
Graph neural networks (GNNs) learn the representation of nodes in a graph by aggregating the neighborhood information in various ways. As these networks grow in depth, their receptive field grows exponentially due to the increase in neighborhood sizes, resulting in high memory costs. Graph sampling solves memory issues in GNNs by sampling a small ratio of the nodes in the graph. This way, GNNs can scale to much larger graphs. Most sampling methods focus on fixed sampling heuristics, which may not generalize to different structures or tasks. We introduce GRAPES, an adaptive graph sampling method that learns to identify sets of influential nodes for training a GNN classifier. GRAPES uses a GFlowNet to learn node sampling probabilities given the classification objectives. We evaluate GRAPES across several small- and large-scale graph benchmarks and demonstrate its effectiveness in accuracy and scalability. In contrast to existing sampling methods, GRAPES maintains high accuracy even with small sample sizes and, therefore, can scale to very large graphs. Our code is publicly available at https://github.com/dfdazac/grapes.
Authors: Ling Pan, Moksh Jain, Kanika Madan, Yoshua Bengio
Generative Flow Networks (GFlowNets) are amortized samplers that learn stochastic policies to sequentially generate compositional objects from a given unnormalized reward distribution. They can generate diverse sets of high-reward objects, which is an important consideration in scientific discovery tasks. However, as they are typically trained from a given extrinsic reward function, it remains an important open challenge about how to leverage the power of pre-training and train GFlowNets in an unsupervised fashion for efficient adaptation to downstream tasks. Inspired by recent successes of unsupervised pre-training in various domains, we introduce a novel approach for reward-free pre-training of GFlowNets. By framing the training as a self-supervised problem, we propose an outcome-conditioned GFlowNet (OC-GFN) that learns to explore the candidate space. Specifically, OC-GFN learns to reach any targeted outcomes, akin to goal-conditioned policies in reinforcement learning. We show that the pre-trained OC-GFN model can allow for a direct extraction of a policy capable of sampling from any new reward functions in downstream tasks. Nonetheless, adapting OC-GFN on a downstream task-specific reward involves an intractable marginalization over possible outcomes. We propose a novel way to approximate this marginalization by learning an amortized predictor enabling efficient fine-tuning. Extensive experimental results validate the efficacy of our approach, demonstrating the effectiveness of pre-training the OC-GFN, and its ability to swiftly adapt to downstream tasks and discover modes more efficiently. This work may serve as a foundation for further exploration of pre-training strategies in the context of GFlowNets.
Authors: Kwanseok Oh, Da-Woon Heo, Ahmad Wisnu Mulyadi, Wonsik Jung, Eunsong Kang, Kun Ho Lee, Heung-Il Suk
Deep learning (DL) for predicting Alzheimer's disease (AD) has provided timely intervention in disease progression yet still demands attentive interpretability to explain how their DL models make definitive decisions. Recently, counterfactual reasoning has gained increasing attention in medical research because of its ability to provide a refined visual explanatory map. However, such visual explanatory maps based on visual inspection alone are insufficient unless we intuitively demonstrate their medical or neuroscientific validity via quantitative features. In this study, we synthesize the counterfactual-labeled structural MRIs using our proposed framework and transform it into a gray matter density map to measure its volumetric changes over the parcellated region of interest (ROI). We also devised a lightweight linear classifier to boost the effectiveness of constructed ROIs, promoted quantitative interpretation, and achieved comparable predictive performance to DL methods. Throughout this, our framework produces an ``AD-relatedness index'' for each ROI and offers an intuitive understanding of brain status for an individual patient and across patient groups with respect to AD progression.
Authors: François Remy, Pieter Delobelle, Bettina Berendt, Kris Demuynck, Thomas Demeester
Training monolingual language models for low and mid-resource languages is made challenging by limited and often inadequate pretraining data. In this study, we propose a novel model conversion strategy to address this issue, adapting high-resources monolingual language models to a new target language. By generalizing over a word translation dictionary encompassing both the source and target languages, we map tokens from the target tokenizer to semantically similar tokens from the source language tokenizer. This one-to-many token mapping improves tremendously the initialization of the embedding table for the target language. We conduct experiments to convert high-resource models to mid- and low-resource languages, namely Dutch and Frisian. These converted models achieve a new state-of-the-art performance on these languages across all sorts of downstream tasks. By reducing significantly the amount of data and time required for training state-of-the-art models, our novel model conversion strategy has the potential to benefit many languages worldwide.
Authors: Samuel Garcin, James Doran, Shangmin Guo, Christopher G. Lucas, Stefano V. Albrecht
A key limitation preventing the wider adoption of autonomous agents trained via deep reinforcement learning (RL) is their limited ability to generalise to new environments, even when these share similar characteristics with environments encountered during training. In this work, we investigate how a non-uniform sampling strategy of individual environment instances, or levels, affects the zero-shot generalisation (ZSG) ability of RL agents, considering two failure modes: overfitting and over-generalisation. As a first step, we measure the mutual information (MI) between the agent's internal representation and the set of training levels, which we find to be well-correlated to instance overfitting. In contrast to uniform sampling, adaptive sampling strategies prioritising levels based on their value loss are more effective at maintaining lower MI, which provides a novel theoretical justification for this class of techniques. We then turn our attention to unsupervised environment design (UED) methods, which adaptively generate new training levels and minimise MI more effectively than methods sampling from a fixed set. However, we find UED methods significantly shift the training distribution, resulting in over-generalisation and worse ZSG performance over the distribution of interest. To prevent both instance overfitting and over-generalisation, we introduce self-supervised environment design (SSED). SSED generates levels using a variational autoencoder, effectively reducing MI while minimising the shift with the distribution of interest, and leads to statistically significant improvements in ZSG over fixed-set level sampling strategies and UED methods.
Authors: Jiachi Liu, Liwen Wang, Guanting Dong, Xiaoshuai Song, Zechen Wang, Zhengyang Wang, Shanglin Lei, Jinzheng Zhao, Keqing He, Bo Xiao, Weiran Xu
In real dialogue scenarios, as there are unknown input noises in the utterances, existing supervised slot filling models often perform poorly in practical applications. Even though there are some studies on noise-robust models, these works are only evaluated on rule-based synthetic datasets, which is limiting, making it difficult to promote the research of noise-robust methods. In this paper, we introduce a noise robustness evaluation dataset named Noise-SF for slot filling task. The proposed dataset contains five types of human-annotated noise, and all those noises are exactly existed in real extensive robust-training methods of slot filling into the proposed framework. By conducting exhaustive empirical evaluation experiments on Noise-SF, we find that baseline models have poor performance in robustness evaluation, and the proposed framework can effectively improve the robustness of models. Based on the empirical experimental results, we make some forward-looking suggestions to fuel the research in this direction. Our dataset Noise-SF will be released at https://github.com/dongguanting/Noise-SF.
Authors: Trang Nguyen, Alexander Tong, Kanika Madan, Yoshua Bengio, Dianbo Liu
Understanding causal relationships within Gene Regulatory Networks (GRNs) is essential for unraveling the gene interactions in cellular processes. However, causal discovery in GRNs is a challenging problem for multiple reasons including the existence of cyclic feedback loops and uncertainty that yields diverse possible causal structures. Previous works in this area either ignore cyclic dynamics (assume acyclic structure) or struggle with scalability. We introduce Swift-DynGFN as a novel framework that enhances causal structure learning in GRNs while addressing scalability concerns. Specifically, Swift-DynGFN exploits gene-wise independence to boost parallelization and to lower computational cost. Experiments on real single-cell RNA velocity and synthetic GRN datasets showcase the advancement in learning causal structure in GRNs and scalability in larger systems.
Authors: Jin Jin, Chong Zhang, Jonas Frey, Nikita Rudin, Matias Mattamala, Cesar Cadena, Marco Hutter
Autonomous robots must navigate reliably in unknown environments even under compromised exteroceptive perception, or perception failures. Such failures often occur when harsh environments lead to degraded sensing, or when the perception algorithm misinterprets the scene due to limited generalization. In this paper, we model perception failures as invisible obstacles and pits, and train a reinforcement learning (RL) based local navigation policy to guide our legged robot. Unlike previous works relying on heuristics and anomaly detection to update navigational information, we train our navigation policy to reconstruct the environment information in the latent space from corrupted perception and react to perception failures end-to-end. To this end, we incorporate both proprioception and exteroception into our policy inputs, thereby enabling the policy to sense collisions on different body parts and pits, prompting corresponding reactions. We validate our approach in simulation and on the real quadruped robot ANYmal running in real-time (<10 ms CPU inference). In a quantitative comparison with existing heuristic-based locally reactive planners, our policy increases the success rate over 30% when facing perception failures. Project Page: https://bit.ly/45NBTuh.
Authors: Josh Collyer, Tim Watson, Iain Phillips
Being able to identify functions of interest in cross-architecture software is useful whether you are analysing for malware, securing the software supply chain or conducting vulnerability research. Cross-Architecture Binary Code Similarity Search has been explored in numerous studies and has used a wide range of different data sources to achieve its goals. The data sources typically used draw on common structures derived from binaries such as function control flow graphs or binary level call graphs, the output of the disassembly process or the outputs of a dynamic analysis approach. One data source which has received less attention is binary intermediate representations. Binary Intermediate representations possess two interesting properties: they are cross architecture by their very nature and encode the semantics of a function explicitly to support downstream usage. Within this paper we propose Function as a String Encoded Representation (FASER) which combines long document transformers with the use of intermediate representations to create a model capable of cross architecture function search without the need for manual feature engineering, pre-training or a dynamic analysis step. We compare our approach against a series of baseline approaches for two tasks; A general function search task and a targeted vulnerability search task. Our approach demonstrates strong performance across both tasks, performing better than all baseline approaches.
Authors: Xidong Wu, Jianhui Sun, Zhengmian Hu, Aidong Zhang, Heng Huang
The minimax problems arise throughout machine learning applications, ranging from adversarial training and policy evaluation in reinforcement learning to AUROC maximization. To address the large-scale data challenges across multiple clients with communication-efficient distributed training, federated learning (FL) is gaining popularity. Many optimization algorithms for minimax problems have been developed in the centralized setting (\emph{i.e.} single-machine). Nonetheless, the algorithm for minimax problems under FL is still underexplored. In this paper, we study a class of federated nonconvex minimax optimization problems. We propose FL algorithms (FedSGDA+ and FedSGDA-M) and reduce existing complexity results for the most common minimax problems. For nonconvex-concave problems, we propose FedSGDA+ and reduce the communication complexity to $O(\varepsilon^{-6})$. Under nonconvex-strongly-concave and nonconvex-PL minimax settings, we prove that FedSGDA-M has the best-known sample complexity of $O(\kappa^{3} N^{-1}\varepsilon^{-3})$ and the best-known communication complexity of $O(\kappa^{2}\varepsilon^{-2})$. FedSGDA-M is the first algorithm to match the best sample complexity $O(\varepsilon^{-3})$ achieved by the single-machine method under the nonconvex-strongly-concave setting. Extensive experimental results on fair classification and AUROC maximization show the efficiency of our algorithms.
Authors: Wenxin Jiang, Jason Jones, Jerin Yasmin, Nicholas Synovic, Rajeev Sashti, Sophie Chen, George K. Thiruvathukal, Yuan Tian, James C. Davis
Developing and training deep learning models is expensive, so software engineers have begun to reuse pre-trained deep learning models (PTMs) and fine-tune them for downstream tasks. Despite the wide-spread use of PTMs, we know little about the corresponding software engineering behaviors and challenges.
To enable the study of software engineering with PTMs, we present the PeaTMOSS dataset: Pre-Trained Models in Open-Source Software. PeaTMOSS has three parts: a snapshot of (1) 281,638 PTMs, (2) 27,270 open-source software repositories that use PTMs, and (3) a mapping between PTMs and the projects that use them. We challenge PeaTMOSS miners to discover software engineering practices around PTMs. A demo and link to the full dataset are available at: https://github.com/PurdueDualityLab/PeaTMOSS-Demos.
Authors: Jiayuan Mao, Xuelin Yang, Xikun Zhang, Noah D. Goodman, Jiajun Wu
Building machines that can reason about physical events and their causal relationships is crucial for flexible interaction with the physical world. However, most existing physical and causal reasoning benchmarks are exclusively based on synthetically generated events and synthetic natural language descriptions of causal relationships. This design brings up two issues. First, there is a lack of diversity in both event types and natural language descriptions; second, causal relationships based on manually-defined heuristics are different from human judgments. To address both shortcomings, we present the CLEVRER-Humans benchmark, a video reasoning dataset for causal judgment of physical events with human labels. We employ two techniques to improve data collection efficiency: first, a novel iterative event cloze task to elicit a new representation of events in videos, which we term Causal Event Graphs (CEGs); second, a data augmentation technique based on neural language generative models. We convert the collected CEGs into questions and answers to be consistent with prior work. Finally, we study a collection of baseline approaches for CLEVRER-Humans question-answering, highlighting the great challenges set forth by our benchmark.
Authors: Thorsten Händler
Large language models (LLMs) have revolutionized the field of artificial intelligence, endowing it with sophisticated language understanding and generation capabilities. However, when faced with more complex and interconnected tasks that demand a profound and iterative thought process, LLMs reveal their inherent limitations. Autonomous LLM-powered multi-agent systems represent a strategic response to these challenges. Such systems strive for autonomously tackling user-prompted goals by decomposing them into manageable tasks and orchestrating their execution and result synthesis through a collective of specialized intelligent agents. Equipped with LLM-powered reasoning capabilities, these agents harness the cognitive synergy of collaborating with their peers, enhanced by leveraging contextual resources such as tools and datasets. While these architectures hold promising potential in amplifying AI capabilities, striking the right balance between different levels of autonomy and alignment remains the crucial challenge for their effective operation. This paper proposes a comprehensive multi-dimensional taxonomy, engineered to analyze how autonomous LLM-powered multi-agent systems balance the dynamic interplay between autonomy and alignment across various aspects inherent to architectural viewpoints such as goal-driven task management, agent composition, multi-agent collaboration, and context interaction. It also includes a domain-ontology model specifying fundamental architectural concepts. Our taxonomy aims to empower researchers, engineers, and AI practitioners to systematically analyze the architectural dynamics and balancing strategies employed by these increasingly prevalent AI systems. The exploratory taxonomic classification of selected representative LLM-powered multi-agent systems illustrates its practical utility and reveals potential for future research and development.
Authors: Nicolas Matentzoglu, J. Harry Caufield, Harshad B. Hegde, Justin T. Reese, Sierra Moxon, Hyeongsik Kim, Nomi L. Harris, Melissa A Haendel, Christopher J. Mungall
Aligning terminological resources, including ontologies, controlled vocabularies, taxonomies, and value sets is a critical part of data integration in many domains such as healthcare, chemistry, and biomedical research. Entity mapping is the process of determining correspondences between entities across these resources, such as gene identifiers, disease concepts, or chemical entity identifiers. Many tools have been developed to compute such mappings based on common structural features and lexical information such as labels and synonyms. Lexical approaches in particular often provide very high recall, but low precision, due to lexical ambiguity. As a consequence of this, mapping efforts often resort to a labor intensive manual mapping refinement through a human curator.
Large Language Models (LLMs), such as the ones employed by ChatGPT, have generalizable abilities to perform a wide range of tasks, including question-answering and information extraction. Here we present MapperGPT, an approach that uses LLMs to review and refine mapping relationships as a post-processing step, in concert with existing high-recall methods that are based on lexical and structural heuristics.
We evaluated MapperGPT on a series of alignment tasks from different domains, including anatomy, developmental biology, and renal diseases. We devised a collection of tasks that are designed to be particularly challenging for lexical methods. We show that when used in combination with high-recall methods, MapperGPT can provide a substantial improvement in accuracy, beating state-of-the-art (SOTA) methods such as LogMap.
Authors: Alexander Robey, Eric Wong, Hamed Hassani, George J. Pappas
Despite efforts to align large language models (LLMs) with human values, widely-used LLMs such as GPT, Llama, Claude, and PaLM are susceptible to jailbreaking attacks, wherein an adversary fools a targeted LLM into generating objectionable content. To address this vulnerability, we propose SmoothLLM, the first algorithm designed to mitigate jailbreaking attacks on LLMs. Based on our finding that adversarially-generated prompts are brittle to character-level changes, our defense first randomly perturbs multiple copies of a given input prompt, and then aggregates the corresponding predictions to detect adversarial inputs. SmoothLLM reduces the attack success rate on numerous popular LLMs to below one percentage point, avoids unnecessary conservatism, and admits provable guarantees on attack mitigation. Moreover, our defense uses exponentially fewer queries than existing attacks and is compatible with any LLM.
Authors: Zarif Ikram, Ling Pan, Dianbo Liu
Due to limited resources and fast economic growth, designing optimal transportation road networks with traffic simulation and validation in a cost-effective manner is vital for developing countries, where extensive manual testing is expensive and often infeasible. Current rule-based road design generators lack diversity, a key feature for design robustness. Generative Flow Networks (GFlowNets) learn stochastic policies to sample from an unnormalized reward distribution, thus generating high-quality solutions while preserving their diversity. In this work, we formulate the problem of linking incident roads to the circular junction of a roundabout by a Markov decision process, and we leverage GFlowNets as the Junction-Art road generator. We compare our method with related methods and our empirical results show that our method achieves better diversity while preserving a high validity score.
Authors: Xiangyu Qi, Yi Zeng, Tinghao Xie, Pin-Yu Chen, Ruoxi Jia, Prateek Mittal, Peter Henderson
Optimizing large language models (LLMs) for downstream use cases often involves the customization of pre-trained LLMs through further fine-tuning. Meta's open release of Llama models and OpenAI's APIs for fine-tuning GPT-3.5 Turbo on custom datasets also encourage this practice. But, what are the safety costs associated with such custom fine-tuning? We note that while existing safety alignment infrastructures can restrict harmful behaviors of LLMs at inference time, they do not cover safety risks when fine-tuning privileges are extended to end-users. Our red teaming studies find that the safety alignment of LLMs can be compromised by fine-tuning with only a few adversarially designed training examples. For instance, we jailbreak GPT-3.5 Turbo's safety guardrails by fine-tuning it on only 10 such examples at a cost of less than $0.20 via OpenAI's APIs, making the model responsive to nearly any harmful instructions. Disconcertingly, our research also reveals that, even without malicious intent, simply fine-tuning with benign and commonly used datasets can also inadvertently degrade the safety alignment of LLMs, though to a lesser extent. These findings suggest that fine-tuning aligned LLMs introduces new safety risks that current safety infrastructures fall short of addressing -- even if a model's initial safety alignment is impeccable, it is not necessarily to be maintained after custom fine-tuning. We outline and critically analyze potential mitigations and advocate for further research efforts toward reinforcing safety protocols for the custom fine-tuning of aligned LLMs.
Authors: Zhanhui Zhou, Jie Liu, Chao Yang, Jing Shao, Yu Liu, Xiangyu Yue, Wanli Ouyang, Yu Qiao
Language models (LMs), despite aligning well with an average labeler through reinforcement learning from human feedback (RLHF), may not universally suit diverse human preferences. Recent approaches therefore opt for customization by collecting multi-dimensional feedback and creating distinct rewards for each dimension (e.g., helpfulness, harmlessness, honesty). LMs can then be tailored to different preferences using multi-objective RL (MORL) with different reward weightings. Yet, RL fine-tuning is unstable and resource-heavy, especially for MORLHF with diverse and usually conflicting objectives. In this paper, we present Multi-Objective Direct Preference Optimization (MODPO), an RL-free algorithm that extends Direct Preference Optimization (DPO) for multiple alignment objectives. Essentially, MODPO trains different LMs to represent different collective reward models that combine all objectives with specific weightings. With a simple cross-entropy loss, the LMs optimized against the MODPO objective are analytically the exact solutions of the original MORLHF objective. Empirical results in safety alignment and long-form question answering confirm that MODPO matches or outperforms existing methods, efficiently producing a Pareto-optimal set of LMs that cater to diverse preferences with 3 times less computational resources compared with MORLHF.
Authors: Nicholas Crispino, Kyle Montgomery, Fankun Zeng, Dawn Song, Chenguang Wang
We introduce a method to improve the zero-shot reasoning abilities of large language models on general language understanding tasks. Specifically, we build an autonomous agent to instruct the reasoning process of large language models. We show this approach further unleashes the zero-shot reasoning abilities of large language models to more tasks. We study the performance of our method on a wide set of datasets spanning generation, classification, and reasoning. We show that our method generalizes to most tasks and obtains state-of-the-art zero-shot performance on 20 of the 29 datasets that we evaluate. For instance, our method boosts the performance of state-of-the-art large language models by a large margin, including Vicuna-13b (13.3%), Llama-2-70b-chat (23.2%), and GPT-3.5 Turbo (17.0%). Compared to zero-shot chain of thought, our improvement in reasoning is striking, with an average increase of 10.5%. With our method, Llama-2-70b-chat outperforms zero-shot GPT-3.5 Turbo by 10.2%.
Authors: Omar Khattab, Arnav Singhvi, Paridhi Maheshwari, Zhiyuan Zhang, Keshav Santhanam, Sri Vardhamanan, Saiful Haq, Ashutosh Sharma, Thomas T. Joshi, Hanna Moazam, Heather Miller, Matei Zaharia, Christopher Potts
The ML community is rapidly exploring techniques for prompting language models (LMs) and for stacking them into pipelines that solve complex tasks. Unfortunately, existing LM pipelines are typically implemented using hard-coded "prompt templates", i.e. lengthy strings discovered via trial and error. Toward a more systematic approach for developing and optimizing LM pipelines, we introduce DSPy, a programming model that abstracts LM pipelines as text transformation graphs, i.e. imperative computational graphs where LMs are invoked through declarative modules. DSPy modules are parameterized, meaning they can learn (by creating and collecting demonstrations) how to apply compositions of prompting, finetuning, augmentation, and reasoning techniques. We design a compiler that will optimize any DSPy pipeline to maximize a given metric. We conduct two case studies, showing that succinct DSPy programs can express and optimize sophisticated LM pipelines that reason about math word problems, tackle multi-hop retrieval, answer complex questions, and control agent loops. Within minutes of compiling, a few lines of DSPy allow GPT-3.5 and llama2-13b-chat to self-bootstrap pipelines that outperform standard few-shot prompting (generally by over 25% and 65%, respectively) and pipelines with expert-created demonstrations (by up to 5-46% and 16-40%, respectively). On top of that, DSPy programs compiled to open and relatively small LMs like 770M-parameter T5 and llama2-13b-chat are competitive with approaches that rely on expert-written prompt chains for proprietary GPT-3.5. DSPy is available at https://github.com/stanfordnlp/dspy
Authors: Nestor Maslej, Loredana Fattorini, Erik Brynjolfsson, John Etchemendy, Katrina Ligett, Terah Lyons, James Manyika, Helen Ngo, Juan Carlos Niebles, Vanessa Parli, Yoav Shoham, Russell Wald, Jack Clark, Raymond Perrault
Welcome to the sixth edition of the AI Index Report. This year, the report introduces more original data than any previous edition, including a new chapter on AI public opinion, a more thorough technical performance chapter, original analysis about large language and multimodal models, detailed trends in global AI legislation records, a study of the environmental impact of AI systems, and more. The AI Index Report tracks, collates, distills, and visualizes data related to artificial intelligence. Our mission is to provide unbiased, rigorously vetted, broadly sourced data in order for policymakers, researchers, executives, journalists, and the general public to develop a more thorough and nuanced understanding of the complex field of AI. The report aims to be the world's most credible and authoritative source for data and insights about AI.
Authors: Yihang Yao, Zuxin Liu, Zhepeng Cen, Jiacheng Zhu, Wenhao Yu, Tingnan Zhang, Ding Zhao
Safe reinforcement learning (RL) focuses on training reward-maximizing agents subject to pre-defined safety constraints. Yet, learning versatile safe policies that can adapt to varying safety constraint requirements during deployment without retraining remains a largely unexplored and challenging area. In this work, we formulate the versatile safe RL problem and consider two primary requirements: training efficiency and zero-shot adaptation capability. To address them, we introduce the Conditioned Constrained Policy Optimization (CCPO) framework, consisting of two key modules: (1) Versatile Value Estimation (VVE) for approximating value functions under unseen threshold conditions, and (2) Conditioned Variational Inference (CVI) for encoding arbitrary constraint thresholds during policy optimization. Our extensive experiments demonstrate that CCPO outperforms the baselines in terms of safety and task performance while preserving zero-shot adaptation capabilities to different constraint thresholds data-efficiently. This makes our approach suitable for real-world dynamic applications.
Authors: Ke Wang, Houxing Ren, Aojun Zhou, Zimu Lu, Sichun Luo, Weikang Shi, Renrui Zhang, Linqi Song, Mingjie Zhan, Hongsheng Li
The recently released GPT-4 Code Interpreter has demonstrated remarkable proficiency in solving challenging math problems, primarily attributed to its ability to seamlessly reason with natural language, generate code, execute code, and continue reasoning based on the execution output. In this paper, we present a method to fine-tune open-source language models, enabling them to use code for modeling and deriving math equations and, consequently, enhancing their mathematical reasoning abilities. We propose a method of generating novel and high-quality datasets with math problems and their code-based solutions, referred to as MathCodeInstruct. Each solution interleaves natural language, code, and execution results. We also introduce a customized supervised fine-tuning and inference approach. This approach yields the MathCoder models, a family of models capable of generating code-based solutions for solving challenging math problems. Impressively, the MathCoder models achieve state-of-the-art scores among open-source LLMs on the MATH (45.2%) and GSM8K (83.9%) datasets, substantially outperforming other open-source alternatives. Notably, the MathCoder model not only surpasses ChatGPT-3.5 and PaLM-2 on GSM8K and MATH but also outperforms GPT-4 on the competition-level MATH dataset. The dataset and models will be released at https://github.com/mathllm/MathCoder.
Authors: Selim Furkan Tekin, Arda Fazla, Suleyman Serdar Kozat
Numerical weather forecasting using high-resolution physical models often requires extensive computational resources on supercomputers, which diminishes their wide usage in most real-life applications. As a remedy, applying deep learning methods has revealed innovative solutions within this field. To this end, we introduce a novel deep learning architecture for forecasting high-resolution spatio-temporal weather data. Our approach extends the conventional encoder-decoder structure by integrating Convolutional Long-short Term Memory and Convolutional Neural Networks. In addition, we incorporate attention and context matcher mechanisms into the model architecture. Our Weather Model achieves significant performance improvements compared to baseline deep learning models, including ConvLSTM, TrajGRU, and U-Net. Our experimental evaluation involves high-scale, real-world benchmark numerical weather datasets, namely the ERA5 hourly dataset on pressure levels and WeatherBench. Our results demonstrate substantial improvements in identifying spatial and temporal correlations with attention matrices focusing on distinct parts of the input series to model atmospheric circulations. We also compare our model with high-resolution physical models using the benchmark metrics and show that our Weather Model is accurate and easy to interpret.
Authors: Animesh Renanse, Alok Sharma, Rohitash Chandra
It is well known that canonical recurrent neural networks (RNNs) face limitations in learning long-term dependencies which have been addressed by memory structures in long short-term memory (LSTM) networks. Neural Turing machines (NTMs) are novel RNNs that implement the notion of programmable computers with neural network controllers that can learn simple algorithmic tasks. Matrix neural networks feature matrix representation which inherently preserves the spatial structure of data when compared to canonical neural networks that use vector-based representation. One may then argue that neural networks with matrix representations may have the potential to provide better memory capacity. In this paper, we define and study a probabilistic notion of memory capacity based on Fisher information for matrix-based RNNs. We find bounds on memory capacity for such networks under various hypotheses and compare them with their vector counterparts. In particular, we show that the memory capacity of such networks is bounded by $N^2$ for $N\times N$ state matrix which generalizes the one known for vector networks. We also show and analyze the increase in memory capacity for such networks which is introduced when one exhibits an external state memory, such as NTMs. Consequently, we construct NTMs with RNN controllers with matrix-based representation of external memory, leading us to introduce Matrix NTMs. We demonstrate the performance of this class of memory networks under certain algorithmic learning tasks such as copying and recall and compare it with Matrix RNNs. We find an improvement in the performance of Matrix NTMs by the addition of external memory, in comparison to Matrix RNNs.
Authors: Jinpeng Chen, Haiyang Li, Xudong Zhang, Fan Zhang, Senzhang Wang, Kaimin Wei, Jiaqi Ji
The Session-Based Recommendation System aims to predict the user's next click based on their previous session sequence. The current studies generally learn user preferences according to the transitions of items in the user's session sequence. However, other effective information in the session sequence, such as user profiles, are largely ignored which may lead to the model unable to learn the user's specific preferences. In this paper, we propose SR-HetGNN, a novel session recommendation method that uses a heterogeneous graph neural network (HetGNN) to learn session embeddings and capture the specific preferences of anonymous users. Specifically, SR-HetGNN first constructs heterogeneous graphs containing various types of nodes according to the session sequence, which can capture the dependencies among items, users, and sessions. Second, HetGNN captures the complex transitions between items and learns the item embeddings containing user information. Finally, local and global session embeddings are combined with the attentional network to obtain the final session embedding, considering the influence of users' long and short-term preferences. SR-HetGNN is shown to be superior to the existing state-of-the-art session-based recommendation methods through extensive experiments over two real large datasets Diginetica and Tmall.
Authors: Shenggui Li, Hongxin Liu, Zhengda Bian, Jiarui Fang, Haichen Huang, Yuliang Liu, Boxiang Wang, Yang You
The success of Transformer models has pushed the deep learning model scale to billions of parameters. Due to the limited memory resource of a single GPU, However, the best practice for choosing the optimal parallel strategy is still lacking, since it requires domain expertise in both deep learning and parallel computing.
The Colossal-AI system addressed the above challenge by introducing a unified interface to scale your sequential code of model training to distributed environments. It supports parallel training methods such as data, pipeline, tensor, and sequence parallelism, as well as heterogeneous training methods integrated with zero redundancy optimizer. Compared to the baseline system, Colossal-AI can achieve up to 2.76 times training speedup on large-scale models.
Authors: Andreas Gerhardus
In this paper, we introduce a novel class of graphical models for representing time lag specific causal relationships and independencies of multivariate time series with unobserved confounders. We completely characterize these graphs and show that they constitute proper subsets of the currently employed model classes. As we show, from the novel graphs one can thus draw stronger causal inferences -- without additional assumptions. We further introduce a graphical representation of Markov equivalence classes of the novel graphs. This graphical representation contains more causal knowledge than what current state-of-the-art causal discovery algorithms learn.
Authors: Gabriel Turinici
The decoder-based machine learning generative algorithms such as Generative Adversarial Networks (GAN), Variational Auto-Encoders (VAE), Transformers show impressive results when constructing objects similar to those in a training ensemble. However, the generation of new objects builds mainly on the understanding of the hidden structure of the training dataset followed by a sampling from a multi-dimensional normal variable. In particular each sample is independent from the others and can repeatedly propose same type of objects. To cure this drawback we introduce a kernel-based measure quantization method that can produce new objects from a given target measure by approximating it as a whole and even staying away from elements already drawn from that distribution. This ensures a better diversity of the produced objects. The method is tested on classic machine learning benchmarks.
Authors: Hao Ren, Xiaojun Liang, Chunhua Yang, Zhiwen Chen, Weihua Gui
Thank you very much for the attention and concern of colleagues and scholars in this work. With the comments and guidance of experts, editors, and reviewers, this work has been accepted for publishing in the journal "Process Safety and Environmental Protection". The theme of this paper relies on the Spatial-temporal associations of numerous variables in the same industrial processes, which refers to numerous variables obtained in dynamic industrial processes with Spatial-temporal correlation characteristics, i.e., these variables are not only highly correlated in time but also interrelated in space. To handle this problem, three key issues need to be well addressed: variable characteristics modeling and representation, graph network construction (temporal information), and graph characteristics perception. The first issue is implemented by assuming the data follows one improved Gaussian distribution, while the graph network can be defined by the monitoring variables and their edges which are calculated by their characteristics in time. Finally, these networks corresponding to process states at different times are fed into a graph convolutional neural network to implement graph classification to achieve process monitoring. A benchmark experiment (Tennessee Eastman chemical process) and one application study (cobalt purification from zinc solution) are employed to demonstrate the feasibility and applicability of this paper.
Authors: Alexandre Défossez, Charlotte Caucheteux, Jérémy Rapin, Ori Kabeli, Jean-Rémi King
Decoding speech from brain activity is a long-awaited goal in both healthcare and neuroscience. Invasive devices have recently led to major milestones in that regard: deep learning algorithms trained on intracranial recordings now start to decode elementary linguistic features (e.g. letters, words, spectrograms). However, extending this approach to natural speech and non-invasive brain recordings remains a major challenge. Here, we introduce a model trained with contrastive-learning to decode self-supervised representations of perceived speech from the non-invasive recordings of a large cohort of healthy individuals. To evaluate this approach, we curate and integrate four public datasets, encompassing 175 volunteers recorded with magneto- or electro-encephalography (M/EEG), while they listened to short stories and isolated sentences. The results show that our model can identify, from 3 seconds of MEG signals, the corresponding speech segment with up to 41% accuracy out of more than 1,000 distinct possibilities on average across participants, and more than 80% in the very best participants - a performance that allows the decoding of words and phrases absent from the training set. The comparison of our model to a variety of baselines highlights the importance of (i) a contrastive objective, (ii) pretrained representations of speech and (iii) a common convolutional architecture simultaneously trained across multiple participants. Finally, the analysis of the decoder's predictions suggests that they primarily depend on lexical and contextual semantic representations. Overall, this effective decoding of perceived speech from non-invasive recordings delineates a promising path to decode language from brain activity, without putting patients at risk for brain surgery.
Authors: Neelu Madan, Nicolae-Catalin Ristea, Radu Tudor Ionescu, Kamal Nasrollahi, Fahad Shahbaz Khan, Thomas B. Moeslund, Mubarak Shah
Anomaly detection has recently gained increasing attention in the field of computer vision, likely due to its broad set of applications ranging from product fault detection on industrial production lines and impending event detection in video surveillance to finding lesions in medical scans. Regardless of the domain, anomaly detection is typically framed as a one-class classification task, where the learning is conducted on normal examples only. An entire family of successful anomaly detection methods is based on learning to reconstruct masked normal inputs (e.g. patches, future frames, etc.) and exerting the magnitude of the reconstruction error as an indicator for the abnormality level. Unlike other reconstruction-based methods, we present a novel self-supervised masked convolutional transformer block (SSMCTB) that comprises the reconstruction-based functionality at a core architectural level. The proposed self-supervised block is extremely flexible, enabling information masking at any layer of a neural network and being compatible with a wide range of neural architectures. In this work, we extend our previous self-supervised predictive convolutional attentive block (SSPCAB) with a 3D masked convolutional layer, a transformer for channel-wise attention, as well as a novel self-supervised objective based on Huber loss. Furthermore, we show that our block is applicable to a wider variety of tasks, adding anomaly detection in medical images and thermal videos to the previously considered tasks based on RGB images and surveillance videos. We exhibit the generality and flexibility of SSMCTB by integrating it into multiple state-of-the-art neural models for anomaly detection, bringing forth empirical results that confirm considerable performance improvements on five benchmarks. We release our code and data as open source at: https://github.com/ristea/ssmctb.
Authors: Roberto Casadei, Stefano Mariani, Danilo Pianini, Mirko Viroli, Franco Zambonelli
A recurrent task in coordinated systems is managing (estimating, predicting, or controlling) signals that vary in space, such as distributed sensed data or computation outcomes. Especially in large-scale settings, the problem can be addressed through decentralised and situated computing systems: nodes can locally sense, process, and act upon signals, and coordinate with neighbours to implement collective strategies. Accordingly, in this work we devise distributed coordination strategies for the estimation of a spatial phenomenon through collaborative adaptive sampling. Our design is based on the idea of dynamically partitioning space into regions that compete and grow/shrink to provide accurate aggregate sampling. Such regions hence define a sort of virtualised space that is "fluid", since its structure adapts in response to pressure forces exerted by the underlying phenomenon. We provide an adaptive sampling algorithm in the field-based coordination framework, and prove it is self-stabilising and locally optimal. Finally, we verify by simulation that the proposed algorithm effectively carries out a spatially adaptive sampling while maintaining a tuneable trade-off between accuracy and efficiency.
Authors: Yefei He, Zhenyu Lou, Luoming Zhang, Jing Liu, Weijia Wu, Hong Zhou, Bohan Zhuang
Model binarization can significantly compress model size, reduce energy consumption, and accelerate inference through efficient bit-wise operations. Although binarizing convolutional neural networks have been extensively studied, there is little work on exploring binarization of vision Transformers which underpin most recent breakthroughs in visual recognition. To this end, we propose to solve two fundamental challenges to push the horizon of Binary Vision Transformers (BiViT). First, the traditional binary method does not take the long-tailed distribution of softmax attention into consideration, bringing large binarization errors in the attention module. To solve this, we propose Softmax-aware Binarization, which dynamically adapts to the data distribution and reduces the error caused by binarization. Second, to better preserve the information of the pretrained model and restore accuracy, we propose a Cross-layer Binarization scheme that decouples the binarization of self-attention and multi-layer perceptrons (MLPs), and Parameterized Weight Scales which introduce learnable scaling factors for weight binarization. Overall, our method performs favorably against state-of-the-arts by 19.8% on the TinyImageNet dataset. On ImageNet, our BiViT achieves a competitive 75.6% Top-1 accuracy over Swin-S model. Additionally, on COCO object detection, our method achieves an mAP of 40.8 with a Swin-T backbone over Cascade Mask R-CNN framework.
Authors: Vianney Coppé, Xavier Gillard, Pierre Schaus
The branch-and-bound algorithm based on decision diagrams introduced by Bergman et al. in 2016 is a framework for solving discrete optimization problems with a dynamic programming formulation. It works by compiling a series of bounded-width decision diagrams that can provide lower and upper bounds for any given subproblem. Eventually, every part of the search space will be either explored or pruned by the algorithm, thus proving optimality. This paper presents new ingredients to speed up the search by exploiting the structure of dynamic programming models. The key idea is to prevent the repeated expansion of nodes corresponding to the same dynamic programming states by querying expansion thresholds cached throughout the search. These thresholds are based on dominance relations between partial solutions previously found and on the pruning inequalities of the filtering techniques introduced by Gillard et al. in 2021. Computational experiments show that the pruning brought by this caching mechanism allows significantly reducing the number of nodes expanded by the algorithm. This results in more benchmark instances of difficult optimization problems being solved in less time while using narrower decision diagrams.
Authors: Mazda Moayeri, Wenxiao Wang, Sahil Singla, Soheil Feizi
We present a simple but effective method to measure and mitigate model biases caused by reliance on spurious cues. Instead of requiring costly changes to one's data or model training, our method better utilizes the data one already has by sorting them. Specifically, we rank images within their classes based on spuriosity (the degree to which common spurious cues are present), proxied via deep neural features of an interpretable network. With spuriosity rankings, it is easy to identify minority subpopulations (i.e. low spuriosity images) and assess model bias as the gap in accuracy between high and low spuriosity images. One can even efficiently remove a model's bias at little cost to accuracy by finetuning its classification head on low spuriosity images, resulting in fairer treatment of samples regardless of spuriosity. We demonstrate our method on ImageNet, annotating $5000$ class-feature dependencies ($630$ of which we find to be spurious) and generating a dataset of $325k$ soft segmentations for these features along the way. Having computed spuriosity rankings via the identified spurious neural features, we assess biases for $89$ diverse models and find that class-wise biases are highly correlated across models. Our results suggest that model bias due to spurious feature reliance is influenced far more by what the model is trained on than how it is trained.
Authors: Wei Guo, Benedetta Tondi, Mauro Barni
We propose a Universal Defence against backdoor attacks based on Clustering and Centroids Analysis (CCA-UD). The goal of the defence is to reveal whether a Deep Neural Network model is subject to a backdoor attack by inspecting the training dataset. CCA-UD first clusters the samples of the training set by means of density-based clustering. Then, it applies a novel strategy to detect the presence of poisoned clusters. The proposed strategy is based on a general misclassification behaviour observed when the features of a representative example of the analysed cluster are added to benign samples. The capability of inducing a misclassification error is a general characteristic of poisoned samples, hence the proposed defence is attack-agnostic. This marks a significant difference with respect to existing defences, that, either can defend against only some types of backdoor attacks, or are effective only when some conditions on the poisoning ratio or the kind of triggering signal used by the attacker are satisfied.
Experiments carried out on several classification tasks and network architectures, considering different types of backdoor attacks (with either clean or corrupted labels), and triggering signals, including both global and local triggering signals, as well as sample-specific and source-specific triggers, reveal that the proposed method is very effective to defend against backdoor attacks in all the cases, always outperforming the state of the art techniques.
Authors: Pei-Yu Chen, Myrthe L. Tielman, Dirk K.J. Heylen, Catholijn M. Jonker, M. Birna van Riemsdijk
AI alignment is about ensuring AI systems only pursue goals and activities that are beneficial to humans. Most of the current approach to AI alignment is to learn what humans value from their behavioural data. This paper proposes a different way of looking at the notion of alignment, namely by introducing AI Alignment Dialogues: dialogues with which users and agents try to achieve and maintain alignment via interaction. We argue that alignment dialogues have a number of advantages in comparison to data-driven approaches, especially for behaviour support agents, which aim to support users in achieving their desired future behaviours rather than their current behaviours. The advantages of alignment dialogues include allowing the users to directly convey higher-level concepts to the agent, and making the agent more transparent and trustworthy. In this paper we outline the concept and high-level structure of alignment dialogues. Moreover, we conducted a qualitative focus group user study from which we developed a model that describes how alignment dialogues affect users, and created design suggestions for AI alignment dialogues. Through this we establish foundations for AI alignment dialogues and shed light on what requires further development and research.
Authors: Michael Hagmann, Philipp Meier, Stefan Riezler
Reliability of machine learning evaluation -- the consistency of observed evaluation scores across replicated model training runs -- is affected by several sources of nondeterminism which can be regarded as measurement noise. Current tendencies to remove noise in order to enforce reproducibility of research results neglect inherent nondeterminism at the implementation level and disregard crucial interaction effects between algorithmic noise factors and data properties. This limits the scope of conclusions that can be drawn from such experiments. Instead of removing noise, we propose to incorporate several sources of variance, including their interaction with data properties, into an analysis of significance and reliability of machine learning evaluation, with the aim to draw inferences beyond particular instances of trained models. We show how to use linear mixed effects models (LMEMs) to analyze performance evaluation scores, and to conduct statistical inference with a generalized likelihood ratio test (GLRT). This allows us to incorporate arbitrary sources of noise like meta-parameter variations into statistical significance testing, and to assess performance differences conditional on data properties. Furthermore, a variance component analysis (VCA) enables the analysis of the contribution of noise sources to overall variance and the computation of a reliability coefficient by the ratio of substantial to total variance.
Authors: Natalia Ślusarz, Ekaterina Komendantskaya, Matthew L. Daggitt, Robert Stewart, Kathrin Stark
Differentiable logics (DL) have recently been proposed as a method of training neural networks to satisfy logical specifications. A DL consists of a syntax in which specifications are stated and an interpretation function that translates expressions in the syntax into loss functions. These loss functions can then be used during training with standard gradient descent algorithms. The variety of existing DLs and the differing levels of formality with which they are treated makes a systematic comparative study of their properties and implementations difficult. This paper remedies this problem by suggesting a meta-language for defining DLs that we call the Logic of Differentiable Logics, or LDL. Syntactically, it generalises the syntax of existing DLs to FOL, and for the first time introduces the formalism for reasoning about vectors and learners. Semantically, it introduces a general interpretation function that can be instantiated to define loss functions arising from different existing DLs. We use LDL to establish several theoretical properties of existing DLs, and to conduct their empirical study in neural network verification.
Authors: Xinyun Chen, Maxwell Lin, Nathanael Schärli, Denny Zhou
Large language models (LLMs) have achieved impressive performance on code generation. However, for complex programming tasks, generating the correct solution in one go becomes challenging, thus some prior works have designed program repair approaches to improve code generation performance. In this work, we propose Self-Debugging, which teaches a large language model to debug its predicted program via few-shot demonstrations. In particular, we demonstrate that Self-Debugging can teach the large language model to perform rubber duck debugging; i.e., without any human feedback on the code correctness or error messages, the model is able to identify its mistakes by investigating the execution results and explaining the generated code in natural language. Self-Debugging achieves the state-of-the-art performance on several code generation benchmarks, including the Spider dataset for text-to-SQL generation, TransCoder for C++-to-Python translation, and MBPP for text-to-Python generation. On the Spider benchmark where there are no unit tests to verify the correctness of predictions, Self-Debugging with code explanation consistently improves the baseline by 2-3%, and improves the prediction accuracy on problems of the hardest level by 9%. On TransCoder and MBPP where unit tests are available, Self-Debugging improves the baseline accuracy by up to 12%. Meanwhile, by leveraging feedback messages and reusing failed predictions, Self-Debugging notably improves sample efficiency, and can match or outperform baseline models that generate more than 10x candidate programs.
Authors: Jonathan Crabbé, Mihaela van der Schaar
Interpretability methods are valuable only if their explanations faithfully describe the explained model. In this work, we consider neural networks whose predictions are invariant under a specific symmetry group. This includes popular architectures, ranging from convolutional to graph neural networks. Any explanation that faithfully explains this type of model needs to be in agreement with this invariance property. We formalize this intuition through the notion of explanation invariance and equivariance by leveraging the formalism from geometric deep learning. Through this rigorous formalism, we derive (1) two metrics to measure the robustness of any interpretability method with respect to the model symmetry group; (2) theoretical robustness guarantees for some popular interpretability methods and (3) a systematic approach to increase the invariance of any interpretability method with respect to a symmetry group. By empirically measuring our metrics for explanations of models associated with various modalities and symmetry groups, we derive a set of 5 guidelines to allow users and developers of interpretability methods to produce robust explanations.
Authors: Tianyu Han, Lisa C. Adams, Jens-Michalis Papaioannou, Paul Grundmann, Tom Oberhauser, Alexander Löser, Daniel Truhn, Keno K. Bressem
As large language models (LLMs) like OpenAI's GPT series continue to make strides, we witness the emergence of artificial intelligence applications in an ever-expanding range of fields. In medicine, these LLMs hold considerable promise for improving medical workflows, diagnostics, patient care, and education. Yet, there is an urgent need for open-source models that can be deployed on-premises to safeguard patient privacy. In our work, we present an innovative dataset consisting of over 160,000 entries, specifically crafted to fine-tune LLMs for effective medical applications. We investigate the impact of fine-tuning these datasets on publicly accessible pre-trained LLMs, and subsequently, we juxtapose the performance of pre-trained-only models against the fine-tuned models concerning the examinations that future medical doctors must pass to achieve certification.
Authors: Ishika Joshi, Ritvik Budhiraja, Harshal Dev, Jahnvi Kadia, M. Osama Ataullah, Sayan Mitra, Dhruv Kumar, Harshal D. Akolekar
ChatGPT is an AI language model developed by OpenAI that can understand and generate human-like text. It can be used for a variety of use cases such as language generation, question answering, text summarization, chatbot development, language translation, sentiment analysis, content creation, personalization, text completion, and storytelling. While ChatGPT has garnered significant positive attention, it has also generated a sense of apprehension and uncertainty in academic circles. There is concern that students may leverage ChatGPT to complete take-home assignments and exams and obtain favorable grades without genuinely acquiring knowledge. This paper adopts a quantitative approach to demonstrate ChatGPT's high degree of unreliability in answering a diverse range of questions pertaining to topics in undergraduate computer science. Our analysis shows that students may risk self-sabotage by blindly depending on ChatGPT to complete assignments and exams. We build upon this analysis to provide constructive recommendations to both students and instructors.
Authors: Zifeng Wang, Chufan Gao, Cao Xiao, Jimeng Sun
Tabular data prediction has been employed in medical applications such as patient health risk prediction. However, existing methods usually revolve around the algorithm design while overlooking the significance of data engineering. Medical tabular datasets frequently exhibit significant heterogeneity across different sources, with limited sample sizes per source. As such, previous predictors are often trained on manually curated small datasets that struggle to generalize across different tabular datasets during inference. This paper proposes to scale medical tabular data predictors (MediTab) to various tabular inputs with varying features. The method uses a data engine that leverages large language models (LLMs) to consolidate tabular samples to overcome the barrier across tables with distinct schema. It also aligns out-domain data with the target task using a "learn, annotate, and refinement" pipeline. The expanded training data then enables the pre-trained MediTab to infer for arbitrary tabular input in the domain without fine-tuning, resulting in significant improvements over supervised baselines: it reaches an average ranking of 1.57 and 1.00 on 7 patient outcome prediction datasets and 3 trial outcome prediction datasets, respectively. In addition, MediTab exhibits impressive zero-shot performances: it outperforms supervised XGBoost models by 8.9% and 17.2% on average in two prediction tasks, respectively. The code is available at https://github.com/RyanWangZf/MediTab.
Authors: Chi Han, Ziqi Wang, Han Zhao, Heng Ji
Large language models (LLMs) have initiated a paradigm shift in transfer learning. In contrast to the classic pretraining-then-finetuning procedure, in order to use LLMs for downstream prediction tasks, one only needs to provide a few demonstrations, known as in-context examples, without adding more or updating existing model parameters. This in-context learning (ICL) capability of LLMs is intriguing, and it is not yet fully understood how pretrained LLMs acquire such capabilities. In this paper, we investigate the reason why a transformer-based language model can accomplish in-context learning after pre-training on a general language corpus by proposing one hypothesis that LLMs can simulate kernel regression with internal representations when faced with in-context examples. More concretely, we first prove that Bayesian inference on in-context prompts can be asymptotically understood as kernel regression $\hat y = \sum_i y_i K(x, x_i)/\sum_i K(x, x_i)$ as the number of in-context demonstrations grows. Then, we empirically investigate the in-context behaviors of language models. We find that during ICL, the attention and hidden features in LLMs match the behaviors of a kernel regression. Finally, our theory provides insights into multiple phenomena observed in the ICL field: why retrieving demonstrative samples similar to test samples can help, why ICL performance is sensitive to the output formats, and why ICL accuracy benefits from selecting in-distribution and representative samples.
Authors: Zeyuan Allen-Zhu, Yuanzhi Li
We design controlled experiments to study HOW generative language models, like GPT, learn context-free grammars (CFGs) -- diverse language systems with a tree-like structure capturing many aspects of natural languages, programs, and logics. CFGs are as hard as pushdown automata, and can be ambiguous so that verifying if a string satisfies the rules requires dynamic programming. We construct synthetic data and demonstrate that even for difficult (long and ambiguous) CFGs, pre-trained transformers can learn to generate sentences with near-perfect accuracy and impressive diversity.
More importantly, we delve into the physical principles behind how transformers learns CFGs. We discover that the hidden states within the transformer implicitly and precisely encode the CFG structure (such as putting tree node information exactly on the subtree boundary), and learn to form "boundary to boundary" attentions resembling dynamic programming. We also cover some extension of CFGs as well as the robustness aspect of transformers against grammar mistakes. Overall, our research provides a comprehensive and empirical understanding of how transformers learn CFGs, and reveals the physical mechanisms utilized by transformers to capture the structure and rules of languages.
Authors: Gabriel Kasmi, Laurent Dubus, Yves-Marie Saint Drenan, Philippe Blanc
Neural networks have shown remarkable performance in computer vision, but their deployment in numerous scientific and technical fields is challenging due to their black-box nature. Scientists and practitioners need to evaluate the reliability of a decision, i.e., to know simultaneously if a model relies on the relevant features and whether these features are robust to image corruptions. Existing attribution methods aim to provide human-understandable explanations by highlighting important regions in the image domain, but fail to fully characterize a decision process's reliability. To bridge this gap, we introduce the Wavelet sCale Attribution Method (WCAM), a generalization of attribution from the pixel domain to the space-scale domain using wavelet transforms. Attribution in the wavelet domain reveals where {\it and} on what scales the model focuses, thus enabling us to assess whether a decision is reliable.
Authors: Beomsu Kim, Gihyun Kwon, Kwanyoung Kim, Jong Chul Ye
Diffusion models are a powerful class of generative models which simulate stochastic differential equations (SDEs) to generate data from noise. Although diffusion models have achieved remarkable progress in recent years, they have limitations in the unpaired image-to-image translation tasks due to the Gaussian prior assumption. Schr\"odinger Bridge (SB), which learns an SDE to translate between two arbitrary distributions, have risen as an attractive solution to this problem. However, none of SB models so far have been successful at unpaired translation between high-resolution images. In this work, we propose the Unpaired Neural Schr\"odinger Bridge (UNSB), which expresses SB problem as a sequence of adversarial learning problems. This allows us to incorporate advanced discriminators and regularization to learn a SB between unpaired data. We demonstrate that UNSB is scalable and successfully solves various unpaired image-to-image translation tasks. Code: \url{https://github.com/cyclomon/UNSB}
Authors: Zhiqiu Lin, Xinyue Chen, Deepak Pathak, Pengchuan Zhang, Deva Ramanan
Vision-language models (VLMs) are impactful in part because they can be applied to a variety of visual understanding tasks in a zero-shot fashion, without any fine-tuning. We study $\textit{generative VLMs}$ that are trained for next-word generation given an image. We explore their zero-shot performance on the illustrative task of image-text retrieval across 8 popular vision-language benchmarks. Our first observation is that they can be repurposed for discriminative tasks (such as image-text retrieval) by simply computing the match score of generating a particular text string given an image. We call this probabilistic score the $\textit{Visual Generative Pre-Training Score}$ (VisualGPTScore). While the VisualGPTScore produces near-perfect accuracy on some retrieval benchmarks, it yields poor accuracy on others. We analyze this behavior through a probabilistic lens, pointing out that some benchmarks inadvertently capture unnatural language distributions by creating adversarial but unlikely text captions. In fact, we demonstrate that even a "blind" language model that ignores any image evidence can sometimes outperform all prior art, reminiscent of similar challenges faced by the visual-question answering (VQA) community many years ago. We derive a probabilistic post-processing scheme that controls for the amount of linguistic bias in generative VLMs at test time without having to retrain or fine-tune the model. We show that the VisualGPTScore, when appropriately debiased, is a strong zero-shot baseline for vision-language understanding, oftentimes producing state-of-the-art accuracy.
Authors: Shikun Li, Xiaobo Xia, Jiankang Deng, Shiming Ge, Tongliang Liu
Learning from crowds describes that the annotations of training data are obtained with crowd-sourcing services. Multiple annotators each complete their own small part of the annotations, where labeling mistakes that depend on annotators occur frequently. Modeling the label-noise generation process by the noise transition matrix is a power tool to tackle the label noise. In real-world crowd-sourcing scenarios, noise transition matrices are both annotator- and instance-dependent. However, due to the high complexity of annotator- and instance-dependent transition matrices (AIDTM), annotation sparsity, which means each annotator only labels a little part of instances, makes modeling AIDTM very challenging. Prior works simplify the problem by assuming the transition matrix is instance-independent or using simple parametric ways, which lose modeling generality. Motivated by this, we target a more realistic problem, estimating general AIDTM in practice. Without losing modeling generality, we parameterize AIDTM with deep neural networks. To alleviate the modeling challenge, we suppose every annotator shares its noise pattern with similar annotators, and estimate AIDTM via knowledge transfer. We hence first model the mixture of noise patterns by all annotators, and then transfer this modeling to individual annotators. Furthermore, considering that the transfer from the mixture of noise patterns to individuals may cause two annotators with highly different noise generations to perturb each other, we employ the knowledge transfer between identified neighboring annotators to calibrate the modeling. Theoretical analyses are derived to demonstrate that both the knowledge transfer from global to individuals and the knowledge transfer between neighboring individuals can help model general AIDTM. Experiments confirm the superiority of the proposed approach on synthetic and real-world crowd-sourcing data.
Authors: Zifeng Wang, Brandon Theodorou, Tianfan Fu, Cao Xiao, Jimeng Sun
Clinical trials are conducted to test the effectiveness and safety of potential drugs in humans for regulatory approval. Machine learning (ML) has recently emerged as a new tool to assist in clinical trials. Despite this progress, there have been few efforts to document and benchmark ML4Trial algorithms available to the ML research community. Additionally, the accessibility to clinical trial-related datasets is limited, and there is a lack of well-defined clinical tasks to facilitate the development of new algorithms.
To fill this gap, we have developed PyTrial that provides benchmarks and open-source implementations of a series of ML algorithms for clinical trial design and operations. In this paper, we thoroughly investigate 34 ML algorithms for clinical trials across 6 different tasks, including patient outcome prediction, trial site selection, trial outcome prediction, patient-trial matching, trial similarity search, and synthetic data generation. We have also collected and prepared 23 ML-ready datasets as well as their working examples in Jupyter Notebooks for quick implementation and testing.
PyTrial defines each task through a simple four-step process: data loading, model specification, model training, and model evaluation, all achievable with just a few lines of code. Furthermore, our modular API architecture empowers practitioners to expand the framework to incorporate new algorithms and tasks effortlessly. The code is available at https://github.com/RyanWangZf/PyTrial.
Authors: Chen Dun, Mirian Hipolito Garcia, Guoqing Zheng, Ahmed Hassan Awadallah, Robert Sim, Anastasios Kyrillidis, Dimitrios Dimitriadis
One of the goals in Federated Learning (FL) is to create personalized models that can adapt to the context of each participating client, while utilizing knowledge from a shared global model. Yet, often, personalization requires a fine-tuning step using clients' labeled data in order to achieve good performance. This may not be feasible in scenarios where incoming clients are fresh and/or have privacy concerns. It, then, remains open how one can achieve just-in-time personalization in these scenarios. We propose FedJETs, a novel solution by using a Mixture-of-Experts (MoE) framework within a FL setup. Our method leverages the diversity of the clients to train specialized experts on different subsets of classes, and a gating function to route the input to the most relevant expert(s). Our gating function harnesses the knowledge of a pretrained model common expert to enhance its routing decisions on-the-fly. As a highlight, our approach can improve accuracy up to 18\% in state of the art FL settings, while maintaining competitive zero-shot performance. In practice, our method can handle non-homogeneous data distributions, scale more efficiently, and improve the state-of-the-art performance on common FL benchmarks.
Authors: Binhang Qi, Hailong Sun, Hongyu Zhang, Ruobing Zhao, Xiang Gao
Deep neural network (DNN) models have become increasingly crucial components in intelligent software systems. However, training a DNN model is typically expensive in terms of both time and money. To address this issue, researchers have recently focused on reusing existing DNN models - borrowing the idea of code reuse in software engineering. However, reusing an entire model could cause extra overhead or inherits the weakness from the undesired functionalities. Hence, existing work proposes to decompose an already trained model into modules, i.e., modularizing-after-training, and enable module reuse. Since trained models are not built for modularization, modularizing-after-training incurs huge overhead and model accuracy loss. In this paper, we propose a novel approach that incorporates modularization into the model training process, i.e., modularizing-while-training (MwT). We train a model to be structurally modular through two loss functions that optimize intra-module cohesion and inter-module coupling. We have implemented the proposed approach for modularizing Convolutional Neural Network (CNN) models in this work. The evaluation results on representative models demonstrate that MwT outperforms the state-of-the-art approach. Specifically, the accuracy loss caused by MwT is only 1.13 percentage points, which is 1.76 percentage points less than that of the baseline. The kernel retention rate of the modules generated by MwT is only 14.58%, with a reduction of 74.31% over the state-of-the-art approach. Furthermore, the total time cost required for training and modularizing is only 108 minutes, half of the baseline.
Authors: Boya Zhang, Weijian Luo, Zhihua Zhang
Adversarial attacks have the potential to mislead deep neural network classifiers by introducing slight perturbations. Developing algorithms that can mitigate the effects of these attacks is crucial for ensuring the safe use of artificial intelligence. Recent studies have suggested that score-based diffusion models are effective in adversarial defenses. However, existing diffusion-based defenses rely on the sequential simulation of the reversed stochastic differential equations of diffusion models, which are computationally inefficient and yield suboptimal results. In this paper, we introduce a novel adversarial defense scheme named ScoreOpt, which optimizes adversarial samples at test-time, towards original clean data in the direction guided by score-based priors. We conduct comprehensive experiments on multiple datasets, including CIFAR10, CIFAR100 and ImageNet. Our experimental results demonstrate that our approach outperforms existing adversarial defenses in terms of both robustness performance and inference speed.
Authors: Stefano Favaro, Boris Hanin, Domenico Marinucci, Ivan Nourdin, Giovanni Peccati
We study the distribution of a fully connected neural network with random Gaussian weights and biases in which the hidden layer widths are proportional to a large constant $n$. Under mild assumptions on the non-linearity, we obtain quantitative bounds on normal approximations valid at large but finite $n$ and any fixed network depth. Our theorems show both for the finite-dimensional distributions and the entire process, that the distance between a random fully connected network (and its derivatives) to the corresponding infinite width Gaussian process scales like $n^{-\gamma}$ for $\gamma>0$, with the exponent depending on the metric used to measure discrepancy. Our bounds are strictly stronger in terms of their dependence on network width than any previously available in the literature; in the one-dimensional case, we also prove that they are optimal, i.e., we establish matching lower bounds.
Authors: Fabian Schmalstieg, Daniel Honerkamp, Tim Welschehold, Abhinav Valada
Existing object-search approaches enable robots to search through free pathways, however, robots operating in unstructured human-centered environments frequently also have to manipulate the environment to their needs. In this work, we introduce a novel interactive multi-object search task in which a robot has to open doors to navigate rooms and search inside cabinets and drawers to find target objects. These new challenges require combining manipulation and navigation skills in unexplored environments. We present HIMOS, a hierarchical reinforcement learning approach that learns to compose exploration, navigation, and manipulation skills. To achieve this, we design an abstract high-level action space around a semantic map memory and leverage the explored environment as instance navigation points. We perform extensive experiments in simulation and the real world that demonstrate that, with accurate perception, the decision making of HIMOS effectively transfers to new environments in a zero-shot manner. It shows robustness to unseen subpolicies, failures in their execution, and different robot kinematics. These capabilities open the door to a wide range of downstream tasks across embodied AI and real-world use cases.
Authors: Shahaf Bassan, Guy Amir, Davide Corsi, Idan Refaeli, Guy Katz
Deep neural networks (DNNs) are increasingly being used as controllers in reactive systems. However, DNNs are highly opaque, which renders it difficult to explain and justify their actions. To mitigate this issue, there has been a surge of interest in explainable AI (XAI) techniques, capable of pinpointing the input features that caused the DNN to act as it did. Existing XAI techniques typically face two limitations: (i) they are heuristic, and do not provide formal guarantees that the explanations are correct; and (ii) they often apply to ``one-shot'' systems, where the DNN is invoked independently of past invocations, as opposed to reactive systems. Here, we begin bridging this gap, and propose a formal DNN-verification-based XAI technique for reasoning about multi-step, reactive systems. We suggest methods for efficiently calculating succinct explanations, by exploiting the system's transition constraints in order to curtail the search space explored by the underlying verifier. We evaluate our approach on two popular benchmarks from the domain of automated navigation; and observe that our methods allow the efficient computation of minimal and minimum explanations, significantly outperforming the state of the art. We also demonstrate that our methods produce formal explanations that are more reliable than competing, non-verification-based XAI techniques.
Authors: Ning Miao, Yee Whye Teh, Tom Rainforth
The recent progress in large language models (LLMs), especially the invention of chain-of-thought prompting, has made it possible to automatically answer questions by stepwise reasoning. However, when faced with more complicated problems that require non-linear thinking, even the strongest LLMs make mistakes. To address this, we explore whether LLMs are able to recognize errors in their own step-by-step reasoning, without resorting to external resources. To this end, we propose SelfCheck, a general-purpose zero-shot verification schema for recognizing such errors. We then use the results of these checks to improve question-answering performance by conducting weighted voting on multiple solutions to the question. We test SelfCheck on three datasets (GSM8K, MathQA, and MATH) and find that it successfully recognizes errors and, in turn, increases final answer accuracies.
Authors: Mark Stefik, Robert Price
The mainstream AIs approaches are the generative and deep learning approaches with large language models (LLMs) and the manually constructed symbolic approach. Both approaches have led to valuable AI systems and impressive feats. However, manually constructed AIs are brittle even in circumscribed domains. Generative AIs make strange mistakes and do not notice them. In both approaches the AIs cannot be instructed easily, fail to use common sense, and lack curiosity. They have abstract knowledge but lack social alignment. Developmental AIs have more potential. They start with innate competences, interact with their environment, and learn from their interactions. They interact and learn from people and establish perceptual, cognitive, and common grounding. Developmental AIs have demonstrated capabilities including multimodal perception, object recognition, and manipulation. Powerful computational models for hierarchical planning, abstraction discovery, curiosity, and language acquisition exist but need to be adapted to a developmental learning based approach. The promise is that developmental AIs will acquire self-developed and socially developed competences. They would address the shortcomings of current mainstream AI approaches, and ultimately lead to sophisticated forms of learning involving critical reading, provenance evaluation, and hypothesis testing. However, developmental AI projects have not yet fully reached the Speaking Gap corresponding to toddler development at about two years of age, before their speech is fluent. The AIs do not bridge the Reading Gap, to skillfully and skeptically learn from written and online information resources. This position paper lays out the prospects, gaps, and challenges for extending the practice of developmental AIs to create resilient, intelligent, and human-compatible AIs that learn what they need to know.
Authors: Tinghao Xie, Xiangyu Qi, Ping He, Yiming Li, Jiachen T. Wang, Prateek Mittal
We present a novel defense, against backdoor attacks on Deep Neural Networks (DNNs), wherein adversaries covertly implant malicious behaviors (backdoors) into DNNs. Our defense falls within the category of post-development defenses that operate independently of how the model was generated. The proposed defense is built upon a novel reverse engineering approach that can directly extract backdoor functionality of a given backdoored model to a backdoor expert model. The approach is straightforward -- finetuning the backdoored model over a small set of intentionally mislabeled clean samples, such that it unlearns the normal functionality while still preserving the backdoor functionality, and thus resulting in a model (dubbed a backdoor expert model) that can only recognize backdoor inputs. Based on the extracted backdoor expert model, we show the feasibility of devising highly accurate backdoor input detectors that filter out the backdoor inputs during model inference. Further augmented by an ensemble strategy with a finetuned auxiliary model, our defense, BaDExpert (Backdoor Input Detection with Backdoor Expert), effectively mitigates 17 SOTA backdoor attacks while minimally impacting clean utility. The effectiveness of BaDExpert has been verified on multiple datasets (CIFAR10, GTSRB and ImageNet) across various model architectures (ResNet, VGG, MobileNetV2 and Vision Transformer).
Authors: Matias D. Cattaneo, Jason M. Klusowski, Boris Shigida
In previous literature, backward error analysis was used to find ordinary differential equations (ODEs) approximating the gradient descent trajectory. It was found that finite step sizes implicitly regularize solutions because terms appearing in the ODEs penalize the two-norm of the loss gradients. We prove that the existence of similar implicit regularization in RMSProp and Adam depends on their hyperparameters and the training stage, but with a different "norm" involved: the corresponding ODE terms either penalize the (perturbed) one-norm of the loss gradients or, on the contrary, hinder its decrease (the latter case being typical). We also conduct numerical experiments and discuss how the proven facts can influence generalization.
Authors: Pulkit Katdare, Nan Jiang, Katherine Driggs-Campbell
Reinforcement Learning (RL) methods are typically sample-inefficient, making it challenging to train and deploy RL-policies in real world robots. Even a robust policy trained in simulation requires a real-world deployment to assess their performance. This paper proposes a new approach to evaluate the real-world performance of agent policies prior to deploying them in the real world. Our approach incorporates a simulator along with real-world offline data to evaluate the performance of any policy using the framework of Marginalized Importance Sampling (MIS). Existing MIS methods face two challenges: (1) large density ratios that deviate from a reasonable range and (2) indirect supervision, where the ratio needs to be inferred indirectly, thus exacerbating estimation error. Our approach addresses these challenges by introducing the target policy's occupancy in the simulator as an intermediate variable and learning the density ratio as the product of two terms that can be learned separately. The first term is learned with direct supervision and the second term has a small magnitude, thus making it computationally efficient. We analyze the sample complexity as well as error propagation of our two step-procedure. Furthermore, we empirically evaluate our approach on Sim2Sim environments such as Cartpole, Reacher, and Half-Cheetah. Our results show that our method generalizes well across a variety of Sim2Sim gap, target policies and offline data collection policies. We also demonstrate the performance of our algorithm on a Sim2Real task of validating the performance of a 7 DoF robotic arm using offline data along with the Gazebo simulator.
Authors: Tareq Jaouni, Sören Arlt, Carlos Ruiz-Gonzalez, Ebrahim Karimi, Xuemei Gu, Mario Krenn
Despite their promise to facilitate new scientific discoveries, the opaqueness of neural networks presents a challenge in interpreting the logic behind their findings. Here, we use a eXplainable-AI (XAI) technique called $inception$ or $deep$ $dreaming$, which has been invented in machine learning for computer vision. We use this technique to explore what neural networks learn about quantum optics experiments. Our story begins by training deep neural networks on the properties of quantum systems. Once trained, we "invert" the neural network -- effectively asking how it imagines a quantum system with a specific property, and how it would continuously modify the quantum system to change a property. We find that the network can shift the initial distribution of properties of the quantum system, and we can conceptualize the learned strategies of the neural network. Interestingly, we find that, in the first layers, the neural network identifies simple properties, while in the deeper ones, it can identify complex quantum structures and even quantum entanglement. This is in reminiscence of long-understood properties known in computer vision, which we now identify in a complex natural science task. Our approach could be useful in a more interpretable way to develop new advanced AI-based scientific discovery techniques in quantum physics.
Authors: Rafael Monteiro, Kartik Sau
In this paper, we introduce a new heuristics for global optimization in scenarios where extensive evaluations of the cost function are expensive, inaccessible, or even prohibitive. The method, which we call Landscape-Sketch-and-Step (LSS), combines Machine Learning, Stochastic Optimization, and Reinforcement Learning techniques, relying on historical information from previously sampled points to make judicious choices of parameter values where the cost function should be evaluated at. Unlike optimization by Replica Exchange Monte Carlo methods, the number of evaluations of the cost function required in this approach is comparable to that used by Simulated Annealing, quality that is especially important in contexts like high-throughput computing or high-performance computing tasks, where evaluations are either computationally expensive or take a long time to be performed. The method also differs from standard Surrogate Optimization techniques, for it does not construct a surrogate model that aims at approximating or reconstructing the objective function. We illustrate our method by applying it to low dimensional optimization problems (dimensions 1, 2, 4, and 8) that mimick known difficulties of minimization on rugged energy landscapes often seen in Condensed Matter Physics, where cost functions are rugged and plagued with local minima. When compared to classical Simulated Annealing, the LSS shows an effective acceleration of the optimization process.
Authors: Amanda Aird, Cassidy All, Paresha Farastu, Elena Stefancova, Joshua Sun, Nicholas Mattei, Robin Burke
Fairness problems in recommender systems often have a complexity in practice that is not adequately captured in simplified research formulations. A social choice formulation of the fairness problem, operating within a multi-agent architecture of fairness concerns, offers a flexible and multi-aspect alternative to fairness-aware recommendation approaches. Leveraging social choice allows for increased generality and the possibility of tapping into well-studied social choice algorithms for resolving the tension between multiple, competing fairness concerns. This paper explores a range of options for choice mechanisms in multi-aspect fairness applications using both real and synthetic data and shows that different classes of choice and allocation mechanisms yield different but consistent fairness / accuracy tradeoffs. We also show that a multi-agent formulation offers flexibility in adapting to user population dynamics.
Authors: Chen Ding, Shuqiang Wang
The relationship between brain structure and function is critical for revealing the pathogenesis of brain disease, including Alzheimer's disease (AD). However, it is a great challenge to map brain structure-function connections due to various reasons. In this work, a bidirectional graph generative adversarial networks (BGGAN) is proposed to represent brain structure-function connections. Specifically, by designing a module incorporating inner graph convolution network (InnerGCN), the generators of BGGAN can employ features of direct and indirect brain regions to learn the mapping function between structural domain and functional domain. Besides, a new module named Balancer is designed to counterpoise the optimization between generators and discriminators. By introducing the Balancer into BGGAN, both the structural generator and functional generator can not only alleviate the issue of mode collapse but also learn complementarity of structural and functional features. Experimental results using ADNI datasets show that the both the generated structure connections and generated function connections can improve the identification accuracy of AD. More importantly, based the proposed model, it is found that the relationship between brain structure and function is not a complete one-to-one correspondence. Brain structure is the basis of brain function. The strong structural connections are almost accompanied by strong functional connections.
Authors: Johor Jara Gonzalez, Seth Cooper, Matthew Guzdial
Automated game design (AGD), the study of automatically generating game rules, has a long history in technical games research. AGD approaches generally rely on approximations of human play, either objective functions or AI agents. Despite this, the majority of these approximators are static, meaning they do not reflect human player's ability to learn and improve in a game. In this paper, we investigate the application of Reinforcement Learning (RL) as an approximator for human play for rule generation. We recreate the classic AGD environment Mechanic Maker in Unity as a new, open-source rule generation framework. Our results demonstrate that RL produces distinct sets of rules from an A* agent baseline, which may be more usable by humans.
Authors: A. Zamanian, L. Mareis, N. Ahmidi
Simulation studies play a key role in the validation of causal inference methods. The simulation results are reliable only if the study is designed according to the promised operational conditions of the method-in-test. Still, many causal inference literature tend to design over-restricted or misspecified studies. In this paper, we elaborate on the problem of improper simulation design for causal methods and compile a list of desiderata for an effective simulation framework. We then introduce partially randomized causal simulation (PARCS), a simulation framework that meets those desiderata. PARCS synthesizes data based on graphical causal models and a wide range of adjustable parameters. There is a legible mapping from usual causal assumptions to the parameters, thus, users can identify and specify the subset of related parameters and randomize the remaining ones to generate a range of complying data-generating processes for their causal method. The result is a more comprehensive and inclusive empirical investigation for causal claims. Using PARCS, we reproduce and extend the simulation studies of two well-known causal discovery and missing data analysis papers to emphasize the necessity of a proper simulation design. Our results show that those papers would have improved and extended the findings, had they used PARCS for simulation. The framework is implemented as a Python package, too. By discussing the comprehensiveness and transparency of PARCS, we encourage causal inference researchers to utilize it as a standard tool for future works.
Authors: Patricio Vera, Pedro Moya, Lisa Barraza
In the burgeoning field of artificial intelligence (AI), the unprecedented progress of large language models (LLMs) in natural language processing (NLP) offers an opportunity to revisit the entire approach of traditional metrics of machine intelligence, both in form and content. As the realm of machine cognitive evaluation has already reached Imitation, the next step is an efficient Language Acquisition and Understanding. Our paper proposes a paradigm shift from the established Turing Test towards an all-embracing framework that hinges on language acquisition, taking inspiration from the recent advancements in LLMs. The present contribution is deeply tributary of the excellent work from various disciplines, point out the need to keep interdisciplinary bridges open, and delineates a more robust and sustainable approach.
Authors: Xianming Li, Jing Li
High-quality text embedding is pivotal in improving semantic textual similarity (STS) tasks, which are crucial components in Large Language Model (LLM) applications. However, a common challenge existing text embedding models face is the problem of vanishing gradients, primarily due to their reliance on the cosine function in the optimization objective, which has saturation zones. To address this issue, this paper proposes a novel angle-optimized text embedding model called AnglE. The core idea of AnglE is to introduce angle optimization in a complex space. This novel approach effectively mitigates the adverse effects of the saturation zone in the cosine function, which can impede gradient and hinder optimization processes. To set up a comprehensive STS evaluation, we experimented on existing short-text STS datasets and a newly collected long-text STS dataset from GitHub Issues. Furthermore, we examine domain-specific STS scenarios with limited labeled data and explore how AnglE works with LLM-annotated data. Extensive experiments were conducted on various tasks including short-text STS, long-text STS, and domain-specific STS tasks. The results show that AnglE outperforms the state-of-the-art (SOTA) STS models that ignore the cosine saturation zone. These findings demonstrate the ability of AnglE to generate high-quality text embeddings and the usefulness of angle optimization in STS.
Authors: Mehrzad Saremi
We propose a graphical structure for structural equation models that is stable under marginalization under linearity and Gaussianity assumptions. We show that computing the maximum likelihood estimation of this model is equivalent to training a neural network. We implement a GPU-based algorithm that computes the maximum likelihood estimation of these models.
Authors: Hongwu Peng, Ran Ran, Yukui Luo, Jiahui Zhao, Shaoyi Huang, Kiran Thorat, Tong Geng, Chenghong Wang, Xiaolin Xu, Wujie Wen, Caiwen Ding
The growth of Graph Convolution Network (GCN) model sizes has revolutionized numerous applications, surpassing human performance in areas such as personal healthcare and financial systems. The deployment of GCNs in the cloud raises privacy concerns due to potential adversarial attacks on client data. To address security concerns, Privacy-Preserving Machine Learning (PPML) using Homomorphic Encryption (HE) secures sensitive client data. However, it introduces substantial computational overhead in practical applications. To tackle those challenges, we present LinGCN, a framework designed to reduce multiplication depth and optimize the performance of HE based GCN inference. LinGCN is structured around three key elements: (1) A differentiable structural linearization algorithm, complemented by a parameterized discrete indicator function, co-trained with model weights to meet the optimization goal. This strategy promotes fine-grained node-level non-linear location selection, resulting in a model with minimized multiplication depth. (2) A compact node-wise polynomial replacement policy with a second-order trainable activation function, steered towards superior convergence by a two-level distillation approach from an all-ReLU based teacher model. (3) an enhanced HE solution that enables finer-grained operator fusion for node-wise activation functions, further reducing multiplication level consumption in HE-based inference. Our experiments on the NTU-XVIEW skeleton joint dataset reveal that LinGCN excels in latency, accuracy, and scalability for homomorphically encrypted inference, outperforming solutions such as CryptoGCN. Remarkably, LinGCN achieves a 14.2x latency speedup relative to CryptoGCN, while preserving an inference accuracy of 75% and notably reducing multiplication depth.
Authors: Julian Ashwin, Aditya Chhabra, Vijayendra Rao
Large Language Models (LLMs) are quickly becoming ubiquitous, but the implications for social science research are not yet well understood. This paper asks whether LLMs can help us analyse large-N qualitative data from open-ended interviews, with an application to transcripts of interviews with Rohingya refugees in Cox's Bazaar, Bangladesh. We find that a great deal of caution is needed in using LLMs to annotate text as there is a risk of introducing biases that can lead to misleading inferences. We here mean bias in the technical sense, that the errors that LLMs make in annotating interview transcripts are not random with respect to the characteristics of the interview subjects. Training simpler supervised models on high-quality human annotations with flexible coding leads to less measurement error and bias than LLM annotations. Therefore, given that some high quality annotations are necessary in order to asses whether an LLM introduces bias, we argue that it is probably preferable to train a bespoke model on these annotations than it is to use an LLM for annotation.
Authors: Kaijie Zhu, Jiaao Chen, Jindong Wang, Neil Zhenqiang Gong, Diyi Yang, Xing Xie
Large language models (LLMs) have achieved remarkable performance in various evaluation benchmarks. However, concerns about their performance are raised on potential data contamination in their considerable volume of training corpus. Moreover, the static nature and fixed complexity of current benchmarks may inadequately gauge the advancing capabilities of LLMs. In this paper, we introduce DyVal, a novel, general, and flexible evaluation protocol for dynamic evaluation of LLMs. Based on our proposed dynamic evaluation framework, we build graph-informed DyVal by leveraging the structural advantage of directed acyclic graphs to dynamically generate evaluation samples with controllable complexities. DyVal generates challenging evaluation sets on reasoning tasks including mathematics, logical reasoning, and algorithm problems. We evaluate various LLMs ranging from Flan-T5-large to ChatGPT and GPT4. Experiments demonstrate that LLMs perform worse in DyVal-generated evaluation samples with different complexities, emphasizing the significance of dynamic evaluation. We also analyze the failure cases and results of different prompting methods. Moreover, DyVal-generated samples are not only evaluation sets, but also helpful data for fine-tuning to improve the performance of LLMs on existing benchmarks. We hope that DyVal can shed light on the future evaluation research of LLMs.
Authors: Lauri Suomela, Jussi Kalliola, Harry Edelman, Joni-Kristian Kämäräinen
Recent results suggest that splitting topological navigation into robot-independent and robot-specific components improves navigation performance by enabling the robot-independent part to be trained with data collected by different robot types. However, the navigation methods are still limited by the scarcity of suitable training data and suffer from poor computational scaling. In this work, we present PlaceNav, subdividing the robot-independent part into navigation-specific and generic computer vision components. We utilize visual place recognition for the subgoal selection of the topological navigation pipeline. This makes subgoal selection more efficient and enables leveraging large-scale datasets from non-robotics sources, increasing training data availability. Bayesian filtering, enabled by place recognition, further improves navigation performance by increasing the temporal consistency of subgoals. Our experimental results verify the design and the new model obtains a 76% higher success rate in indoor and 23% higher in outdoor navigation tasks with higher computational efficiency.
Authors: Kangxian Xie, Jiancheng Yang, Donglai Wei, Ziqiao Weng, Pascal Fua
Pulmonary diseases rank prominently among the principal causes of death worldwide. Curing them will require, among other things, a better understanding of the many complex 3D tree-shaped structures within the pulmonary system, such as airways, arteries, and veins. In theory, they can be modeled using high-resolution image stacks. Unfortunately, standard CNN approaches operating on dense voxel grids are prohibitively expensive. To remedy this, we introduce a point-based approach that preserves graph connectivity of tree skeleton and incorporates an implicit surface representation. It delivers SOTA accuracy at a low computational cost and the resulting models have usable surfaces. Due to the scarcity of publicly accessible data, we have also curated an extensive dataset to evaluate our approach and will make it public.
Authors: Xi Wang, Laurence Aitchison, Maja Rudolph
Finetuned LLMs often exhibit poor uncertainty quantification, manifesting as overconfidence, poor calibration, and unreliable prediction results on test data or out-of-distribution samples. One approach commonly used in vision for alleviating this issue is a deep ensemble, which constructs an ensemble by training the same model multiple times using different random initializations. However, there is a huge challenge to ensembling LLMs: the most effective LLMs are very, very large. Keeping a single LLM in memory is already challenging enough: keeping an ensemble of e.g. 5 LLMs in memory is impossible in many settings. To address these issues, we propose an ensemble approach using Low-Rank Adapters (LoRA), a parameter-efficient fine-tuning technique. Critically, these low-rank adapters represent a very small number of parameters, orders of magnitude less than the underlying pre-trained model. Thus, it is possible to construct large ensembles of LoRA adapters with almost the same computational overhead as using the original model. We find that LoRA ensembles, applied on its own or on top of pre-existing regularization techniques, gives consistent improvements in predictive accuracy and uncertainty quantification.
Authors: Léon Bottou, Bernhard Schölkopf
Many believe that Large Language Models (LLMs) open the era of Artificial Intelligence (AI). Some see opportunities while others see dangers. Yet both proponents and opponents grasp AI through the imagery popularised by science fiction. Will the machine become sentient and rebel against its creators? Will we experience a paperclip apocalypse? Before answering such questions, we should first ask whether this mental imagery provides a good description of the phenomenon at hand. Understanding weather patterns through the moods of the gods only goes so far. The present paper instead advocates understanding LLMs and their connection to AI through the imagery of Jorge Luis Borges, a master of 20th century literature, forerunner of magical realism, and precursor to postmodern literature. This exercise leads to a new perspective that illuminates the relation between language modelling and artificial intelligence.
Authors: Moran Barenboim, Vadim Indelman
Autonomous agents operating in real-world scenarios frequently encounter uncertainty and make decisions based on incomplete information. Planning under uncertainty can be mathematically formalized using partially observable Markov decision processes (POMDPs). However, finding an optimal plan for POMDPs can be computationally expensive and is feasible only for small tasks. In recent years, approximate algorithms, such as tree search and sample-based methodologies, have emerged as state-of-the-art POMDP solvers for larger problems. Despite their effectiveness, these algorithms offer only probabilistic and often asymptotic guarantees toward the optimal solution due to their dependence on sampling. To address these limitations, we derive a deterministic relationship between a simplified solution that is easier to obtain and the theoretically optimal one. First, we derive bounds for selecting a subset of the observations to branch from while computing a complete belief at each posterior node. Then, since a complete belief update may be computationally demanding, we extend the bounds to support reduction of both the state and the observation spaces. We demonstrate how our guarantees can be integrated with existing state-of-the-art solvers that sample a subset of states and observations. As a result, the returned solution holds deterministic bounds relative to the optimal policy. Lastly, we substantiate our findings with supporting experimental results.
Authors: Hira Dhamyal, Benjamin Elizalde, Soham Deshmukh, Huaming Wang, Bhiksha Raj, Rita Singh
Emotions lie on a continuum, but current models treat emotions as a finite valued discrete variable. This representation does not capture the diversity in the expression of emotion. To better represent emotions we propose the use of natural language descriptions (or prompts). In this work, we address the challenge of automatically generating these prompts and training a model to better learn emotion representations from audio and prompt pairs. We use acoustic properties that are correlated to emotion like pitch, intensity, speech rate, and articulation rate to automatically generate prompts i.e. 'acoustic prompts'. We use a contrastive learning objective to map speech to their respective acoustic prompts. We evaluate our model on Emotion Audio Retrieval and Speech Emotion Recognition. Our results show that the acoustic prompts significantly improve the model's performance in EAR, in various Precision@K metrics. In SER, we observe a 3.8% relative accuracy improvement on the Ravdess dataset.
Authors: Sergey Berezin, Reza Farahbakhsh, Noel Crespi
The fundamental problem in toxicity detection task lies in the fact that the toxicity is ill-defined. This causes us to rely on subjective and vague data in models' training, which results in non-robust and non-accurate results: garbage in - garbage out.
This work suggests a new, stress-level-based definition of toxicity designed to be objective and context-aware. On par with it, we also describe possible ways of applying this new definition to dataset creation and model training.
Authors: Ruiyuan Gao, Kai Chen, Enze Xie, Lanqing Hong, Zhenguo Li, Dit-Yan Yeung, Qiang Xu
Recent advancements in diffusion models have significantly enhanced the data synthesis with 2D control. Yet, precise 3D control in street view generation, crucial for 3D perception tasks, remains elusive. Specifically, utilizing Bird's-Eye View (BEV) as the primary condition often leads to challenges in geometry control (e.g., height), affecting the representation of object shapes, occlusion patterns, and road surface elevations, all of which are essential to perception data synthesis, especially for 3D object detection tasks. In this paper, we introduce MagicDrive, a novel street view generation framework offering diverse 3D geometry controls, including camera poses, road maps, and 3D bounding boxes, together with textual descriptions, achieved through tailored encoding strategies. Besides, our design incorporates a cross-view attention module, ensuring consistency across multiple camera views. With MagicDrive, we achieve high-fidelity street-view synthesis that captures nuanced 3D geometry and various scene descriptions, enhancing tasks like BEV segmentation and 3D object detection.
Authors: Xiangyu Dong, Xingyi Zhang, Sibo Wang
Graph-level anomaly detection has gained significant attention as it finds many applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the underlying properties of graph anomalies, resulting in unexplainable framework design and unsatisfying performance. In this paper, we take a step back and re-investigate the spectral differences between anomalous and normal graphs. Our main observation shows a significant disparity in the accumulated spectral energy between these two classes. Moreover, we prove that the accumulated spectral energy of the graph signal can be represented by its Rayleigh Quotient, indicating that the Rayleigh Quotient is a driving factor behind the anomalous properties of graphs. Motivated by this, we propose Rayleigh Quotient Graph Neural Network (RQGNN), the first spectral GNN for graph-level anomaly detection, providing a new perspective on exploring the inherent spectral features of anomalous graphs. Specifically, we introduce a novel framework that consists of two components: the Rayleigh Quotient learning component (RQL) and Chebyshev Wavelet GNN with RQ-pooling (CWGNN-RQ). RQL explicitly captures the Rayleigh Quotient of graphs and CWGNN-RQ implicitly explores the spectral space of graphs. Extensive experiments on 10 real-world datasets show that RQGNN outperforms the best rival by 6.74% in Macro-F1 score and 1.44% in AUC, demonstrating the effectiveness of our framework.
Authors: Zeyi Liu, Arpit Bahety, Shuran Song
The ability to detect and analyze failed executions automatically is crucial for an explainable and robust robotic system. Recently, Large Language Models (LLMs) have demonstrated strong reasoning abilities on textual inputs. To leverage the power of LLMs for robot failure explanation, we introduce REFLECT, a framework which queries LLM for failure reasoning based on a hierarchical summary of robot past experiences generated from multisensory observations. The failure explanation can further guide a language-based planner to correct the failure and complete the task. To systematically evaluate the framework, we create the RoboFail dataset with a variety of tasks and failure scenarios. We demonstrate that the LLM-based framework is able to generate informative failure explanations that assist successful correction planning.
Authors: Yulin Zhou
Fertility issues are closely related to population security, in 60 years China's population for the first time in a negative growth trend, the change of fertility policy is of great concern to the community. 2023 "two sessions" proposal "suggests that the country in the form of legislation, the birth of the registration of the cancellation of the marriage restriction" This topic was once a hot topic on the Internet, and "unbundling" the relationship between birth registration and marriage has become the focus of social debate. In this paper, we adopt co-occurrence semantic analysis, topic analysis and sentiment analysis to conduct multi-granularity semantic analysis of microblog comments. It is found that the discussion on the proposal of "removing marriage restrictions from birth registration" involves the individual, society and the state at three dimensions, and is detailed into social issues such as personal behaviour, social ethics and law, and national policy, with people's sentiment inclined to be negative in most of the topics. Based on this, eight proposals were made to provide a reference for governmental decision making and to form a reference method for researching public opinion on political issues.
Authors: Arslan Akram
Since ChatGPT has emerged as a major AIGC model, providing high-quality responses across a wide range of applications (including software development and maintenance), it has attracted much interest from many individuals. ChatGPT has great promise, but there are serious problems that might arise from its misuse, especially in the realms of education and public safety. Several AIGC detectors are available, and they have all been tested on genuine text. However, more study is needed to see how effective they are for multi-domain ChatGPT material. This study aims to fill this need by creating a multi-domain dataset for testing the state-of-the-art APIs and tools for detecting artificially generated information used by universities and other research institutions. A large dataset consisting of articles, abstracts, stories, news, and product reviews was created for this study. The second step is to use the newly created dataset to put six tools through their paces. Six different artificial intelligence (AI) text identification systems, including "GPTkit," "GPTZero," "Originality," "Sapling," "Writer," and "Zylalab," have accuracy rates between 55.29 and 97.0%. Although all the tools fared well in the evaluations, originality was particularly effective across the board.